data_r4nrtsf
# 
_audit.revision_id    1_0
_audit.creation_date  2014-10-15
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4nrt 
_cell.length_a      89.1700 
_cell.length_b      111.9500 
_cell.length_c      121.0900 
_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   1.07200 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.022 
_diffrn_reflns.pdbx_d_res_low    82.202 
_diffrn_reflns.limit_h_max       44 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       55 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       59 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            39960 
_diffrn_reflns.pdbx_number_obs   39356 
# 
_entry.id   4nrt 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4nrt 
_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 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   14 o  588.913   57.356   9.1790   1.6988   0.0000   0.0000   9.1790   1.6988  588.913   57.356  588.913   57.356 -0.000000 0.000000 
1 1 1    0    0   16 o  2641.26   55.347  179.852   7.5084  179.852   7.5084   0.0000   0.0000  2641.26   55.347  2641.26   55.347 0.000000 0.000000 
1 1 1    0    0   18 o  984.833   56.144   25.226   2.8216   0.0000   0.0000   25.226   2.8216  984.833   56.144  984.833   56.144 -0.000000 0.000000 
1 1 1    0    0   20 o  1302.60   55.916   43.981   3.7290   0.0000   0.0000   43.981   3.7290  1302.60   55.916  1302.60   55.916 -0.000000 0.000000 
1 1 1    0    0   22 o  2285.36   55.840  134.858   6.5521  134.858   6.5521   0.0000   0.0000  2285.36   55.840  2285.36   55.840 0.000000 0.000000 
1 1 1    0    0   24 o  3210.63   55.881  265.729   9.2177  265.729   9.2177   0.0000   0.0000  3210.63   55.881  3210.63   55.881 0.000000 0.000000 
1 1 1    0    0   26 o  1285.68   56.490   42.803   3.7176   42.803   3.7176   0.0000   0.0000  1285.68   56.490  1285.68   56.490 0.000000 0.000000 
1 1 1    0    0   28 o  114.188   58.119   0.4918   0.4283   0.4918   0.4283   0.0000   0.0000  114.188   58.119  114.188   58.119 0.000000 0.000000 
1 1 1    0    0   30 o  4980.73   56.341  638.982   14.423   0.0000   0.0000  638.982   14.423  4980.73   56.341  4980.73   56.341 -0.000000 0.000000 
1 1 1    0    0   32 o  1046.49   57.362   28.458   3.0650   28.458   3.0650   0.0000   0.0000  1046.49   57.362  1046.49   57.362 0.000000 0.000000 
1 1 1    0    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   36 o  2063.75   57.125  110.034   6.0506  110.034   6.0506   0.0000   0.0000  2063.75   57.125  2063.75   57.125 0.000000 0.000000 
1 1 1    0    0   38 o  2221.58   57.467  127.613   6.5538  127.613   6.5538   0.0000   0.0000  2221.58   57.467  2221.58   57.467 0.000000 0.000000 
1 1 1    0    0   40 o  114.366   62.837   0.4695   0.5328   0.4695   0.5328   0.0000   0.0000  114.366   62.837  114.366   62.837 0.000000 0.000000 
1 1 1    0    0   42 o  624.132   60.205   10.359   1.8906   0.0000   0.0000   10.359   1.8906  624.132   60.205  624.132   60.205 -0.000000 0.000000 
1 1 1    0    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   46 o  520.346   62.529   7.3359   1.6088   7.3359   1.6088   0.0000   0.0000  520.346   62.529  520.346   62.529 0.000000 0.000000 
1 1 1    0    0   48 o  373.217   69.209   3.9822   1.1938   3.9822   1.1938   0.0000   0.0000  373.217   69.209  373.217   69.209 0.000000 0.000000 
1 1 1    0    0   50 o  226.194   82.338   1.7841   0.8812   0.0000   0.0000   1.7841   0.8812  226.194   82.338  226.194   82.338 -0.000000 0.000000 
1 1 1    0    0   52 o  836.045   62.656   18.626   2.6584   18.626   2.6584   0.0000   0.0000  836.045   62.656  836.045   62.656 0.000000 0.000000 
1 1 1    0    0   54 o  673.849   65.537   12.300   2.2212   12.300   2.2212   0.0000   0.0000  673.849   65.537  673.849   65.537 0.000000 0.000000 
1 1 1    0    0   56 o  814.676   62.994   17.867   2.6022   17.867   2.6022   0.0000   0.0000  814.676   62.994  814.676   62.994 0.000000 0.000000 
1 1 1    0    0   58 o   77.917   50.399   0.0000   0.4744   0.0000   0.4744   0.0000   0.0000   77.917   50.399   77.917   50.399 0.000000 0.000000 
1 1 1    0    1    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1    3 o  278.301   66.463   2.3052   0.8251   0.0000   0.0000   2.3052   0.8251  278.301   66.463  278.301   66.463 -0.000000 0.000000 
1 1 1    0    1    5 o  285.212   66.304   2.4056   0.8456   0.0000   0.0000   2.4056   0.8456  285.212   66.304  285.212   66.304 -0.000000 0.000000 
1 1 1    0    1    7 o   91.805   34.465   0.3114   0.2197   0.2926   0.3117   0.3299   0.3095   89.668   48.465   93.942   49.014 -0.000000 0.000000 
1 1 1    0    1    9 o  1996.45   38.690  102.924   3.9643  104.176   5.6330  101.696   5.5801  2008.52   54.641  1984.39   54.790 -0.000000 0.000000 
1 1 1    0    1   11 o  183.094   68.491   1.1628   0.6012   0.0000   0.0000   1.1628   0.6012  183.094   68.491  183.094   68.491 -0.000000 0.000000 
1 1 1    0    1   13 o  1016.19   55.273   26.848   2.8682   0.0000   0.0000   26.848   2.8682  1016.19   55.273  1016.19   55.273 -0.000000 0.000000 
1 1 1    0    1   15 f  1012.03   55.639   26.642   2.8749   0.0000   0.0000   26.642   2.8749  1012.03   55.639  1012.03   55.639 -0.000000 0.000000 
1 1 1    0    1   17 o  1204.04   55.553   37.636   3.4222   0.0000   0.0000   37.636   3.4222  1204.04   55.553  1204.04   55.553 -0.000000 0.000000 
1 1 1    0    1   19 o  950.255   56.205   23.572   2.7239   23.572   2.7239   0.0000   0.0000  950.255   56.205  950.255   56.205 0.000000 0.000000 
1 1 1    0    1   21 o  2532.37   55.586  166.029   7.2292  166.029   7.2292   0.0000   0.0000  2532.37   55.586  2532.37   55.586 0.000000 0.000000 
1 1 1    0    1   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1   25 o  301.252   45.146   2.4892   0.6529   2.4892   0.6529   0.0000   0.0000  301.252   45.146  301.252   45.146 0.000000 0.000000 
1 1 1    0    1   27 o  936.821   40.000   22.717   1.9186   22.717   1.9186   0.0000   0.0000  936.821   40.000  936.821   40.000 0.000000 0.000000 
1 1 1    0    1   29 o  1407.66   39.979   51.138   2.8881   51.138   2.8881   0.0000   0.0000  1407.66   39.979  1407.66   39.979 0.000000 0.000000 
1 1 1    0    1   31 o  1830.50   40.028   86.407   3.7630   0.0000   0.0000   86.407   3.7630  1830.50   40.028  1830.50   40.028 -0.000000 0.000000 
1 1 1    0    1   33 o  277.397   46.983   2.1450   0.6123   2.1450   0.6123   0.0000   0.0000  277.397   46.983  277.397   46.983 0.000000 0.000000 
1 1 1    0    1   35 o  2140.03   40.288  118.144   4.4291   0.0000   0.0000  118.144   4.4291  2140.03   40.288  2140.03   40.288 -0.000000 0.000000 
1 1 1    0    1   37 o  195.083   57.176   1.2041   0.4981   1.2041   0.4981   0.0000   0.0000  195.083   57.176  195.083   57.176 0.000000 0.000000 
1 1 1    0    1   39 o  188.038   58.557   1.1445   0.4962   0.0000   0.0000   1.1445   0.4962  188.038   58.557  188.038   58.557 -0.000000 0.000000 
1 1 1    0    1   41 o  101.884   52.349   0.3940   0.3493   0.3940   0.3493   0.0000   0.0000  101.884   52.349  101.884   52.349 0.000000 0.000000 
1 1 1    0    1   43 o  199.280   58.821   1.2664   0.5239   1.2664   0.5239   0.0000   0.0000  199.280   58.821  199.280   58.821 0.000000 0.000000 
1 1 1    0    1   45 o   77.796   47.229   0.1472   0.3513   0.1472   0.3513   0.0000   0.0000   77.796   47.229   77.796   47.229 0.000000 0.000000 
1 1 1    0    1   47 o   69.609   42.216   0.1189   0.2801   0.0000   0.0000   0.1189   0.2801   69.609   42.216   69.609   42.216 -0.000000 0.000000 
1 1 1    0    1   49 o  1190.66   42.440   37.129   2.5905   37.129   2.5905   0.0000   0.0000  1190.66   42.440  1190.66   42.440 0.000000 0.000000 
1 1 1    0    1   51 o  125.015   59.730   0.6078   0.4405   0.6078   0.4405   0.0000   0.0000  125.015   59.730  125.015   59.730 0.000000 0.000000 
1 1 1    0    1   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1   55 o   75.482   46.572   0.1238   0.3543   0.1238   0.3543   0.0000   0.0000   75.482   46.572   75.482   46.572 0.000000 0.000000 
1 1 1    0    1   57 f   79.898   47.689   0.1907   0.3462   0.1907   0.3462   0.0000   0.0000   79.898   47.689   79.898   47.689 0.000000 0.000000 
1 1 1    0    1   59 o   62.133   40.279   0.0000   0.3053   0.0000   0.0000   0.0000   0.3053   62.133   40.279   62.133   40.279 -0.000000 0.000000 
1 1 1    0    2    0 o  544.364   59.997   10.855   1.5718   0.0501   2.2147   21.820   2.2312  171.471  110.147  917.257   47.604 0.000000 0.000000 
1 1 1    0    2    2 o  926.111   37.446   22.314   1.7689   22.983   2.5007   21.644   2.5026  940.322   52.092  911.899   53.807 0.000000 0.000000 
1 1 1    0    2    4 o  538.099   39.308   7.6973   1.0587   7.4538   1.4975   7.9407   1.4970  528.960   56.712  547.238   54.444 0.000000 0.000000 
1 1 1    0    2    6 o  689.145   39.315   12.508   1.3654   13.771   1.9302   11.243   1.9318  725.558   52.370  652.731   58.653 0.000000 0.000000 
1 1 1    0    2    8 o  384.916   43.090   4.0972   0.7862   3.8506   1.1106   4.3450   1.1131  371.179   63.871  398.654   57.857 -0.000000 0.000000 
1 1 1    0    2   10 f  553.311   40.320   8.1505   1.1122   8.8737   1.5774   7.4355   1.5685  579.453   54.027  527.169   59.865 -0.000000 0.000000 
1 1 1    0    2   12 o  3250.45   54.958  272.511   9.1783   0.0000   0.0000  272.511   9.1783  3250.45   54.958  3250.45   54.958 0.000000 0.000000 
1 1 1    0    2   14 o  147.461   44.540   0.7899   0.3596   1.0115   0.5130   0.5759   0.5041  171.442   62.968  123.479   63.010 -0.000000 0.000000 
1 1 1    0    2   16 o  1082.84   55.376   30.473   3.0645   30.473   3.0645   0.0000   0.0000  1082.84   55.376  1082.84   55.376 0.000000 0.000000 
1 1 1    0    2   18 o  298.533   68.439   2.6324   0.9148   2.6324   0.9148   0.0000   0.0000  298.533   68.439  298.533   68.439 0.000000 0.000000 
1 1 1    0    2   20 f   97.195   51.675   0.3506   0.3490   0.3506   0.3490   0.0000   0.0000   97.195   51.675   97.195   51.675 0.000000 0.000000 
1 1 1    0    2   22 o  301.689   69.894   2.6982   0.9432   0.0000   0.0000   2.6982   0.9432  301.689   69.894  301.689   69.894 -0.000000 0.000000 
1 1 1    0    2   24 o  737.677   57.417   14.295   2.1472   0.0000   0.0000   14.295   2.1472  737.677   57.417  737.677   57.417 -0.000000 0.000000 
1 1 1    0    2   26 o  543.830   59.501   7.8964   1.6130   0.0000   0.0000   7.8964   1.6130  543.830   59.501  543.830   59.501 -0.000000 0.000000 
1 1 1    0    2   28 o  563.333   40.734   8.2973   1.1656   8.2973   1.1656   0.0000   0.0000  563.333   40.734  563.333   40.734 0.000000 0.000000 
1 1 1    0    2   30 o  928.007   40.262   22.299   1.9127   22.299   1.9127   0.0000   0.0000  928.007   40.262  928.007   40.262 0.000000 0.000000 
1 1 1    0    2   32 o  1242.15   40.314   39.863   2.5684   0.0000   0.0000   39.863   2.5684  1242.15   40.314  1242.15   40.314 -0.000000 0.000000 
1 1 1    0    2   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   36 o   91.326   48.692   0.3084   0.3107   0.3084   0.3107   0.0000   0.0000   91.326   48.692   91.326   48.692 0.000000 0.000000 
1 1 1    0    2   38 o  416.367   43.737   4.6214   0.9126   4.6214   0.9126   0.0000   0.0000  416.367   43.737  416.367   43.737 0.000000 0.000000 
1 1 1    0    2   40 o  440.974   42.819   5.1660   0.9498   5.1660   0.9498   0.0000   0.0000  440.974   42.819  440.974   42.819 0.000000 0.000000 
1 1 1    0    2   42 o  129.142   56.220   0.6195   0.3870   0.6195   0.3870   0.0000   0.0000  129.142   56.220  129.142   56.220 0.000000 0.000000 
1 1 1    0    2   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   46 o  321.618   47.928   2.8643   0.7407   0.0000   0.0000   2.8643   0.7407  321.618   47.928  321.618   47.928 -0.000000 0.000000 
1 1 1    0    2   48 o  185.914   59.235   1.1406   0.4987   0.0000   0.0000   1.1406   0.4987  185.914   59.235  185.914   59.235 -0.000000 0.000000 
1 1 1    0    2   50 o  287.998   53.256   2.3825   0.7092   2.3825   0.7092   0.0000   0.0000  287.998   53.256  287.998   53.256 0.000000 0.000000 
1 1 1    0    2   52 o  183.370   65.261   1.1715   0.5608   0.0000   0.0000   1.1715   0.5608  183.370   65.261  183.370   65.261 -0.000000 0.000000 
1 1 1    0    2   54 o  210.578   63.639   1.4563   0.6010   1.4563   0.6010   0.0000   0.0000  210.578   63.639  210.578   63.639 0.000000 0.000000 
1 1 1    0    2   56 o  355.865   51.556   3.5708   0.8857   0.0000   0.0000   3.5708   0.8857  355.865   51.556  355.865   51.556 -0.000000 0.000000 
1 1 1    0    2   58 o  114.429   61.148   0.5249   0.4910   0.5249   0.4910   0.0000   0.0000  114.429   61.148  114.429   61.148 0.000000 0.000000 
1 1 1    0    3    1 o  1015.22   44.046   26.863   2.2784   27.775   3.2444   25.975   3.2004  1032.56   61.619  997.878   62.955 0.000000 0.000000 
1 1 1    0    3    3 o  619.363   38.143   10.106   1.1931   10.364   1.6887   9.8486   1.6858  627.636   53.213  611.090   54.663 -0.000000 0.000000 
1 1 1    0    3    5 o  362.608   43.059   3.6638   0.7328   3.4636   1.0349   3.8651   1.0379  350.636   63.620  374.579   58.042 0.000000 0.000000 
1 1 1    0    3    7 o  1687.79   38.138   73.631   3.3009   75.252   4.6583   71.996   4.6781  1706.62   53.208  1668.95   54.653 0.000000 0.000000 
1 1 1    0    3    9 o  858.060   38.923   19.205   1.7008   19.062   2.4113   19.346   2.3993  854.768   55.404  861.352   54.684 -0.000000 0.000000 
1 1 1    0    3   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   13 o  774.955   39.449   15.717   1.5529   15.989   2.1999   15.448   2.1922  781.826   55.369  768.084   56.206 -0.000000 0.000000 
1 1 1    0    3   15 f  611.516   40.328   9.8963   1.2414   9.4988   1.7591   10.291   1.7522  598.528   58.444  624.504   55.586 -0.000000 0.000000 
1 1 1    0    3   17 o  1384.91   39.279   49.720   2.7856   48.010   3.9183   51.467   3.9608  1360.58   56.234  1409.24   54.856 0.000000 0.000000 
1 1 1    0    3   19 o  518.714   41.578   7.2163   1.0720   7.2450   1.5266   7.1884   1.5056  519.651   59.116  517.776   58.481 -0.000000 0.000000 
1 1 1    0    3   21 o  319.588   68.013   2.9723   0.9822   0.0000   0.0000   2.9723   0.9822  319.588   68.013  319.588   68.013 -0.000000 0.000000 
1 1 1    0    3   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   25 f   46.195   29.736   0.0000   0.1625   0.0000   0.0000   0.0000   0.1625   46.195   29.736   46.195   29.736 -0.000000 0.000000 
1 1 1    0    3   27 o  340.492   69.329   3.3354   1.0738   0.0000   0.0000   3.3354   1.0738  340.492   69.329  340.492   69.329 -0.000000 0.000000 
1 1 1    0    3   29 o  653.234   58.029   11.261   1.9135   0.0000   0.0000   11.261   1.9135  653.234   58.029  653.234   58.029 -0.000000 0.000000 
1 1 1    0    3   31 o  315.608   70.188   2.9200   0.9953   2.9200   0.9953   0.0000   0.0000  315.608   70.188  315.608   70.188 0.000000 0.000000 
1 1 1    0    3   33 o  2369.84   57.098  145.215   6.9477   0.0000   0.0000  145.215   6.9477  2369.84   57.098  2369.84   57.098 -0.000000 0.000000 
1 1 1    0    3   35 f   94.014   47.190   0.3350   0.2801   0.3350   0.2801   0.0000   0.0000   94.014   47.190   94.014   47.190 0.000000 0.000000 
1 1 1    0    3   37 o  1349.81   40.730   47.121   2.8208   0.0000   0.0000   47.121   2.8208  1349.81   40.730  1349.81   40.730 -0.000000 0.000000 
1 1 1    0    3   39 o  2036.52   40.820  107.231   4.2701   0.0000   0.0000  107.231   4.2701  2036.52   40.820  2036.52   40.820 -0.000000 0.000000 
1 1 1    0    3   41 o  1242.30   40.989   40.037   2.6115   0.0000   0.0000   40.037   2.6115  1242.30   40.989  1242.30   40.989 -0.000000 0.000000 
1 1 1    0    3   43 o  1097.99   59.157   31.745   3.3173   0.0000   0.0000   31.745   3.3173  1097.99   59.157  1097.99   59.157 -0.000000 0.000000 
1 1 1    0    3   45 o  687.747   42.412   12.420   1.4866   0.0000   0.0000   12.420   1.4866  687.747   42.412  687.747   42.412 -0.000000 0.000000 
1 1 1    0    3   47 o  141.288   59.936   0.7409   0.4414   0.7409   0.4414   0.0000   0.0000  141.288   59.936  141.288   59.936 0.000000 0.000000 
1 1 1    0    3   49 o  942.393   42.768   23.320   2.0624   23.320   2.0624   0.0000   0.0000  942.393   42.768  942.393   42.768 0.000000 0.000000 
1 1 1    0    3   51 o  673.746   43.469   12.024   1.4914   0.0000   0.0000   12.024   1.4914  673.746   43.469  673.746   43.469 -0.000000 0.000000 
1 1 1    0    3   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   55 o  172.449   59.494   1.0257   0.4750   1.0257   0.4750   0.0000   0.0000  172.449   59.494  172.449   59.494 0.000000 0.000000 
1 1 1    0    3   57 o   58.877   38.091   0.0000   0.2712   0.0000   0.0000   0.0000   0.2712   58.877   38.091   58.877   38.091 -0.000000 0.000000 
1 1 1    0    3   59 o  133.127   62.347   0.7133   0.4775   0.7133   0.4775   0.0000   0.0000  133.127   62.347  133.127   62.347 0.000000 0.000000 
1 1 1    0    4    0 o  267.674   60.252   2.3288   0.7301   2.3697   1.0296   2.2874   1.0355  271.244   84.278  264.105   86.130 0.000000 0.000000 
1 1 1    0    4    2 o  270.248   50.859   2.2413   0.6119   2.5136   0.8788   1.9851   0.8525  291.806   67.302  248.691   76.269 0.000000 0.000000 
1 1 1    0    4    4 o  274.243   46.120   2.2360   0.5644   2.2424   0.7999   2.2297   0.7964  274.664   65.261  273.822   65.186 -0.000000 0.000000 
1 1 1    0    4    6 o   67.565   27.313   0.1417   0.1523   0.2037   0.2175   0.0822   0.2132   74.859   40.475   60.272   36.685 0.000000 0.000000 
1 1 1    0    4    8 o  1359.74   38.202   47.863   2.6609   48.460   3.7643   47.267   3.7618  1368.31   53.697  1351.17   54.352 -0.000000 0.000000 
1 1 1    0    4   10 o  2185.31   54.014  123.277   6.0602   0.0000   0.0000  123.277   6.0602  2185.31   54.014  2185.31   54.014 -0.000000 0.000000 
1 1 1    0    4   12 f  3435.46   38.514  304.389   6.7973  296.167   9.5849  312.707   9.6410  3388.63   55.049  3482.28   53.880 0.000000 0.000000 
1 1 1    0    4   14 o  2059.29   38.942  109.782   4.1018  120.395   5.8074   99.217   5.7943  2159.51   52.376  1959.07   57.641 0.000000 0.000000 
1 1 1    0    4   16 o  668.864   40.484   11.849   1.3568   10.278   1.9202   13.414   1.9173  622.186   61.402  715.541   52.778 -0.000000 0.000000 
1 1 1    0    4   18 o  1076.61   39.502   30.170   2.1730   30.320   3.0831   30.021   3.0633  1079.29   55.905  1073.93   55.825 -0.000000 0.000000 
1 1 1    0    4   20 o  793.909   40.175   16.557   1.6190   15.898   2.3003   17.205   2.2789  777.563   58.295  810.255   55.298 -0.000000 0.000000 
1 1 1    0    4   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4   24 o  852.497   56.853   18.998   2.4664   18.998   2.4664   0.0000   0.0000  852.497   56.853  852.497   56.853 0.000000 0.000000 
1 1 1    0    4   26 o  1350.56   56.289   47.272   3.8931   47.272   3.8931   0.0000   0.0000  1350.56   56.289  1350.56   56.289 0.000000 0.000000 
1 1 1    0    4   28 o   49.103   31.609   0.0000   0.1836   0.0000   0.1836   0.0000   0.0000   49.103   31.609   49.103   31.609 0.000000 0.000000 
1 1 1    0    4   30 o  584.562   58.924   9.0791   1.7296   0.0000   0.0000   9.0791   1.7296  584.562   58.924  584.562   58.924 -0.000000 0.000000 
1 1 1    0    4   32 o  296.164   75.257   2.6589   0.9908   0.0000   0.0000   2.6589   0.9908  296.164   75.257  296.164   75.257 -0.000000 0.000000 
1 1 1    0    4   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4   36 o  788.037   41.369   16.142   1.6655   16.142   1.6655   0.0000   0.0000  788.037   41.369  788.037   41.369 0.000000 0.000000 
1 1 1    0    4   38 o  1425.38   40.940   52.568   2.9946   52.568   2.9946   0.0000   0.0000  1425.38   40.940  1425.38   40.940 0.000000 0.000000 
1 1 1    0    4   40 o  987.335   41.355   25.326   2.0909   0.0000   0.0000   25.326   2.0909  987.335   41.355  987.335   41.355 -0.000000 0.000000 
1 1 1    0    4   42 o  891.467   41.905   20.708   1.9110   0.0000   0.0000   20.708   1.9110  891.467   41.905  891.467   41.905 -0.000000 0.000000 
1 1 1    0    4   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4   46 o  367.842   46.771   3.6883   0.8455   0.0000   0.0000   3.6883   0.8455  367.842   46.771  367.842   46.771 -0.000000 0.000000 
1 1 1    0    4   48 o  121.841   57.722   0.5722   0.4105   0.0000   0.0000   0.5722   0.4105  121.841   57.722  121.841   57.722 -0.000000 0.000000 
1 1 1    0    4   50 o  204.481   62.385   1.3651   0.5729   0.0000   0.0000   1.3651   0.5729  204.481   62.385  204.481   62.385 -0.000000 0.000000 
1 1 1    0    4   52 o  322.250   51.253   2.9273   0.7848   0.0000   0.0000   2.9273   0.7848  322.250   51.253  322.250   51.253 -0.000000 0.000000 
1 1 1    0    4   54 f  186.597   58.249   1.1512   0.4900   0.0000   0.0000   1.1512   0.4900  186.597   58.249  186.597   58.249 -0.000000 0.000000 
1 1 1    0    4   56 o  491.280   46.537   6.5694   1.1512   0.0000   0.0000   6.5694   1.1512  491.280   46.537  491.280   46.537 -0.000000 0.000000 
1 1 1    0    4   58 o   54.992   35.573   0.0000   0.2364   0.0000   0.0000   0.0000   0.2364   54.992   35.573   54.992   35.573 -0.000000 0.000000 
1 1 1    0    5    1 o  107.609   40.387   0.4232   0.3053   0.3291   0.4356   0.5142   0.4281   98.704   55.827  116.513   58.376 0.000000 0.000000 
1 1 1    0    5    3 o  2152.98   39.044  119.609   4.3142  122.182   6.1892  117.176   6.0168  2175.50   55.417  2130.45   55.015 0.000000 0.000000 
1 1 1    0    5    5 o  2364.87   37.308  144.288   4.5309  143.943   6.4181  144.631   6.3973  2362.02   52.911  2367.72   52.612 -0.000000 0.000000 
1 1 1    0    5    7 o  442.747   40.988   5.3148   0.8814   4.7838   1.2409   5.8556   1.2523  417.813   61.723  467.681   53.949 0.000000 0.000000 
1 1 1    0    5    9 o  1903.53   53.958   93.587   5.2710   93.587   5.2710   0.0000   0.0000  1903.53   53.958  1903.53   53.958 0.000000 0.000000 
1 1 1    0    5   11 o  2870.73   54.319  212.594   8.0106  212.594   8.0106   0.0000   0.0000  2870.73   54.319  2870.73   54.319 -0.000000 0.000000 
1 1 1    0    5   13 o  1105.19   38.876   31.714   2.1964   31.812   3.1204   31.619   3.0923  1106.85   55.146  1103.54   54.812 -0.000000 0.000000 
1 1 1    0    5   15 o  730.774   39.708   14.041   1.4672   12.967   2.0814   15.101   2.0685  701.799   58.629  759.750   53.567 -0.000000 0.000000 
1 1 1    0    5   17 o  608.643   40.475   9.8224   1.2378   9.1310   1.7471   10.519   1.7541  585.862   59.404  631.424   54.992 -0.000000 0.000000 
1 1 1    0    5   19 o  1341.96   39.397   46.785   2.7070   47.900   3.8386   45.683   3.8180  1358.07   55.184  1325.84   56.241 -0.000000 0.000000 
1 1 1    0    5   21 o  1384.74   55.902   49.803   3.9651   0.0000   0.0000   49.803   3.9651  1384.74   55.902  1384.74   55.902 -0.000000 0.000000 
1 1 1    0    5   23 o  921.020   57.040   22.147   2.6772   0.0000   0.0000   22.147   2.6772  921.020   57.040  921.020   57.040 0.000000 0.000000 
1 1 1    0    5   25 o  410.250   47.998   4.7217   0.8899   3.5919   1.2333   5.9484   1.2852  349.506   78.652  470.993   55.038 0.000000 0.000000 
1 1 1    0    5   27 o  258.171   74.598   2.0975   0.8590   2.0975   0.8590   0.0000   0.0000  258.171   74.598  258.171   74.598 0.000000 0.000000 
1 1 1    0    5   29 o  582.005   58.846   8.9999   1.7196   8.9999   1.7196   0.0000   0.0000  582.005   58.846  582.005   58.846 0.000000 0.000000 
1 1 1    0    5   31 o  865.738   58.023   19.596   2.5560   19.596   2.5560   0.0000   0.0000  865.738   58.023  865.738   58.023 0.000000 0.000000 
1 1 1    0    5   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   35 o  1503.14   57.366   58.632   4.4186   58.632   4.4186   0.0000   0.0000  1503.14   57.366  1503.14   57.366 0.000000 0.000000 
1 1 1    0    5   37 o  248.032   76.260   1.9859   0.8505   1.9859   0.8505   0.0000   0.0000  248.032   76.260  248.032   76.260 0.000000 0.000000 
1 1 1    0    5   39 o  931.605   41.597   22.552   1.9833   0.0000   0.0000   22.552   1.9833  931.605   41.597  931.605   41.597 -0.000000 0.000000 
1 1 1    0    5   41 o  844.555   41.461   18.581   1.7904   0.0000   0.0000   18.581   1.7904  844.555   41.461  844.555   41.461 -0.000000 0.000000 
1 1 1    0    5   43 o  320.589   73.232   3.0703   1.0516   3.0703   1.0516   0.0000   0.0000  320.589   73.232  320.589   73.232 0.000000 0.000000 
1 1 1    0    5   45 o  118.516   55.915   0.5373   0.3848   0.0000   0.0000   0.5373   0.3848  118.516   55.915  118.516   55.915 -0.000000 0.000000 
1 1 1    0    5   47 o  719.061   43.347   13.613   1.5891   13.613   1.5891   0.0000   0.0000  719.061   43.347  719.061   43.347 0.000000 0.000000 
1 1 1    0    5   49 o   76.381   45.979   0.1550   0.3274   0.1550   0.3274   0.0000   0.0000   76.381   45.979   76.381   45.979 0.000000 0.000000 
1 1 1    0    5   51 o  529.000   43.944   7.4736   1.1762   7.4736   1.1762   0.0000   0.0000  529.000   43.944  529.000   43.944 0.000000 0.000000 
1 1 1    0    5   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   55 o  559.387   44.805   8.4194   1.2696   0.0000   0.0000   8.4194   1.2696  559.387   44.805  559.387   44.805 -0.000000 0.000000 
1 1 1    0    5   57 o  137.026   61.478   0.7340   0.4623   0.0000   0.0000   0.7340   0.4623  137.026   61.478  137.026   61.478 -0.000000 0.000000 
1 1 1    0    5   59 o  188.605   62.882   1.2364   0.5433   0.0000   0.0000   1.2364   0.5433  188.605   62.882  188.605   62.882 -0.000000 0.000000 
1 1 1    0    6    0 o  2123.78   47.443  116.501   5.1681  115.171   7.3237  117.820   7.2940  2111.60   67.617  2135.97   66.567 -0.000000 0.000000 
1 1 1    0    6    2 o   42.714   18.919   0.0215   0.0858   0.0000   0.1161   0.0475   0.1273   39.055   25.138   46.373   28.280 -0.000000 0.000000 
1 1 1    0    6    4 o  460.283   41.002   5.7170   0.9273   5.5919   1.3286   5.8358   1.2947  454.493   59.719  466.073   56.199 0.000000 0.000000 
1 1 1    0    6    6 o  831.162   37.935   18.020   1.6052   18.480   2.2750   17.564   2.2652  841.994   53.035  820.331   54.253 -0.000000 0.000000 
1 1 1    0    6    8 o  2762.71   37.798  196.937   5.3622  191.457   7.6012  202.366   7.5656  2724.24   54.319  2801.18   52.575 -0.000000 0.000000 
1 1 1    0    6   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6   12 o  755.402   39.175   14.954   1.5004   14.075   2.1191   15.837   2.1247  732.342   57.079  778.462   53.673 -0.000000 0.000000 
1 1 1    0    6   14 f  1635.73   38.740   69.211   3.2496   69.156   4.5791   69.267   4.6124  1635.11   54.608  1636.35   54.965 0.000000 0.000000 
1 1 1    0    6   16 o  105.657   37.603   0.3922   0.2695   0.1972   0.3743   0.6019   0.3882   83.953   49.836  127.361   56.323 0.000000 0.000000 
1 1 1    0    6   18 o  1447.36   39.101   54.353   2.8992   52.787   4.0843   55.942   4.1161  1426.12   55.899  1468.60   54.687 0.000000 0.000000 
1 1 1    0    6   20 o  1679.43   39.290   73.164   3.3835   74.192   4.7685   72.122   4.8016  1691.51   54.964  1667.35   56.158 0.000000 0.000000 
1 1 1    0    6   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6   24 o  1343.62   39.788   46.820   2.7338   49.910   3.8906   43.806   3.8423  1387.96   54.714  1299.27   57.781 -0.000000 0.000000 
1 1 1    0    6   26 o  246.661   51.103   1.9690   0.5813   2.5006   0.8202   1.4324   0.8240  294.099   61.571  199.224   81.580 0.000000 0.000000 
1 1 1    0    6   28 o   72.598   31.656   0.0938   0.2345   0.1680   0.3138   0.0000   0.3528   77.155   45.708   68.040   43.807 0.000000 0.000000 
1 1 1    0    6   30 o  2217.74   56.421  127.104   6.4237  127.104   6.4237   0.0000   0.0000  2217.74   56.421  2217.74   56.421 0.000000 0.000000 
1 1 1    0    6   32 o  881.525   57.396   20.308   2.5760   0.0000   0.0000   20.308   2.5760  881.525   57.396  881.525   57.396 -0.000000 0.000000 
1 1 1    0    6   34 o  2473.43   57.100  158.274   7.2524  158.274   7.2524   0.0000   0.0000  2473.43   57.100  2473.43   57.100 0.000000 0.000000 
1 1 1    0    6   36 o  783.752   58.531   16.151   2.3282   16.151   2.3282   0.0000   0.0000  783.752   58.531  783.752   58.531 0.000000 0.000000 
1 1 1    0    6   38 o  155.233   70.750   0.9092   0.6130   0.9092   0.6130   0.0000   0.0000  155.233   70.750  155.233   70.750 0.000000 0.000000 
1 1 1    0    6   40 o  620.580   60.267   10.291   1.8812   10.291   1.8812   0.0000   0.0000  620.580   60.267  620.580   60.267 0.000000 0.000000 
1 1 1    0    6   42 f  470.203   43.446   5.8710   1.0297   0.0000   0.0000   5.8710   1.0297  470.203   43.446  470.203   43.446 -0.000000 0.000000 
1 1 1    0    6   44 o  633.857   60.733   10.804   1.9374   0.0000   0.0000   10.804   1.9374  633.857   60.733  633.857   60.733 -0.000000 0.000000 
1 1 1    0    6   46 o  411.064   45.121   4.5536   0.9243   4.5536   0.9243   0.0000   0.0000  411.064   45.121  411.064   45.121 0.000000 0.000000 
1 1 1    0    6   48 o  274.731   49.442   2.1497   0.6311   2.1497   0.6311   0.0000   0.0000  274.731   49.442  274.731   49.442 0.000000 0.000000 
1 1 1    0    6   50 o  1457.12   42.507   55.626   3.1783   55.626   3.1783   0.0000   0.0000  1457.12   42.507  1457.12   42.507 0.000000 0.000000 
1 1 1    0    6   52 o  455.938   67.207   5.9085   1.4749   5.9085   1.4749   0.0000   0.0000  455.938   67.207  455.938   67.207 0.000000 0.000000 
1 1 1    0    6   54 o   44.848   28.929   0.0000   0.1548   0.0000   0.1548   0.0000   0.0000   44.848   28.929   44.848   28.929 0.000000 0.000000 
1 1 1    0    6   56 o  155.720   61.131   0.8901   0.4690   0.8901   0.4690   0.0000   0.0000  155.720   61.131  155.720   61.131 0.000000 0.000000 
1 1 1    0    6   58 o  777.062   44.079   16.251   1.7480   16.251   1.7480   0.0000   0.0000  777.062   44.079  777.062   44.079 0.000000 0.000000 
1 1 1    0    7    1 f  1285.04   47.113   42.953   3.0917   42.278   4.4255   43.596   4.3211  1274.80   67.963  1295.28   65.265 0.000000 0.000000 
1 1 1    0    7    3 o  2517.20   42.041  163.700   5.4276  165.916   7.5281  161.301   7.8326  2535.27   57.823  2499.12   61.043 -0.000000 0.000000 
1 1 1    0    7    5 o  954.867   38.492   23.725   1.8745   23.563   2.6915   23.878   2.6121  951.450   55.454  958.284   53.397 0.000000 0.000000 
1 1 1    0    7    7 o   79.570   31.236   0.2177   0.1904   0.2732   0.2698   0.1627   0.2686   85.869   45.496   73.270   42.812 -0.000000 0.000000 
1 1 1    0    7    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   11 o  1122.81   38.509   32.754   2.2074   30.691   3.1240   34.810   3.1194  1086.86   56.251  1158.75   52.609 -0.000000 0.000000 
1 1 1    0    7   13 o  285.203   47.531   2.4167   0.6052   2.5432   0.8575   2.2912   0.8542  295.250   64.500  275.155   69.832 -0.000000 0.000000 
1 1 1    0    7   15 o  1952.43   38.745   98.548   3.8820   96.863   5.4739  100.253   5.5062  1935.54   55.109  1969.32   54.478 0.000000 0.000000 
1 1 1    0    7   17 o  686.985   40.382   12.490   1.3927   14.098   1.9720   10.889   1.9671  733.389   52.935  640.582   60.998 0.000000 0.000000 
1 1 1    0    7   19 o  533.155   41.080   7.6049   1.0919   7.7266   1.5606   7.4881   1.5283  537.433   58.209  528.877   57.982 -0.000000 0.000000 
1 1 1    0    7   21 o  433.228   60.396   5.1242   1.2704   0.0000   0.0000   5.1242   1.2704  433.228   60.396  433.228   60.396 -0.000000 0.000000 
1 1 1    0    7   23 o  1716.78   39.559   76.312   3.4763   82.542   4.9551   70.275   4.8783  1786.40   54.064  1647.16   57.766 -0.000000 0.000000 
1 1 1    0    7   25 o  1509.67   39.703   58.998   3.0707   56.764   4.3145   61.292   4.3712  1480.45   56.876  1538.88   55.413 0.000000 0.000000 
1 1 1    0    7   27 o   81.851   33.367   0.1932   0.2400   0.0000   0.3766   0.3252   0.3113   70.296   45.260   93.406   49.040 -0.000000 0.000000 
1 1 1    0    7   29 o  1547.82   57.152   62.039   4.5339   0.0000   0.0000   62.039   4.5339  1547.82   57.152  1547.82   57.152 0.000000 0.000000 
1 1 1    0    7   31 o  837.315   41.028   18.360   1.7428   19.821   2.4809   16.935   2.4488  871.239   55.914  803.390   60.058 -0.000000 0.000000 
1 1 1    0    7   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   35 o  109.835   61.523   0.4195   0.5221   0.0000   0.0000   0.4195   0.5221  109.835   61.523  109.835   61.523 -0.000000 0.000000 
1 1 1    0    7   37 o  1117.03   58.350   32.579   3.3301   32.579   3.3301   0.0000   0.0000  1117.03   58.350  1117.03   58.350 0.000000 0.000000 
1 1 1    0    7   39 o  662.633   59.904   11.678   2.0024   11.678   2.0024   0.0000   0.0000  662.633   59.904  662.633   59.904 0.000000 0.000000 
1 1 1    0    7   41 o  685.509   60.484   12.522   2.0935   12.522   2.0935   0.0000   0.0000  685.509   60.484  685.509   60.484 0.000000 0.000000 
1 1 1    0    7   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   45 o  569.625   42.862   8.5723   1.2389   8.5723   1.2389   0.0000   0.0000  569.625   42.862  569.625   42.862 0.000000 0.000000 
1 1 1    0    7   47 o   56.952   36.730   0.0000   0.2495   0.0000   0.0000   0.0000   0.2495   56.952   36.730   56.952   36.730 -0.000000 0.000000 
1 1 1    0    7   49 o  395.465   46.881   4.2586   0.9179   0.0000   0.0000   4.2586   0.9179  395.465   46.881  395.465   46.881 -0.000000 0.000000 
1 1 1    0    7   51 o  193.037   60.212   1.2268   0.5239   1.2268   0.5239   0.0000   0.0000  193.037   60.212  193.037   60.212 0.000000 0.000000 
1 1 1    0    7   53 o  713.600   63.658   14.010   2.2927   14.010   2.2927   0.0000   0.0000  713.600   63.658  713.600   63.658 0.000000 0.000000 
1 1 1    0    7   55 o  323.994   49.678   2.9657   0.7697   2.9657   0.7697   0.0000   0.0000  323.994   49.678  323.994   49.678 0.000000 0.000000 
1 1 1    0    7   57 o  441.109   46.450   5.3484   1.0267   0.0000   0.0000   5.3484   1.0267  441.109   46.450  441.109   46.450 -0.000000 0.000000 
1 1 1    0    7   59 o   80.650   48.282   0.1978   0.3570   0.0000   0.0000   0.1978   0.3570   80.650   48.282   80.650   48.282 -0.000000 0.000000 
1 1 1    0    8    0 o  2840.45   47.548  208.252   6.9292  199.274   9.8208  217.152   9.7782  2779.11   68.829  2901.78   65.618 -0.000000 0.000000 
1 1 1    0    8    2 o  1115.89   45.638   32.404   2.5970   31.207   3.6135   33.683   3.7349  1094.33   64.744  1137.44   64.339 -0.000000 0.000000 
1 1 1    0    8    4 o  1897.19   41.009   93.185   3.9821   95.744   5.4947   90.355   5.7790  1925.15   55.620  1869.22   60.276 -0.000000 0.000000 
1 1 1    0    8    6 o  1489.40   38.119   57.364   2.9093   58.045   4.1755   56.721   4.0559  1497.94   54.381  1480.86   53.431 0.000000 0.000000 
1 1 1    0    8    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   10 o  185.608   47.637   1.1844   0.4243   1.0101   0.6001   1.3586   0.5999  166.648   69.810  204.568   64.835 -0.000000 0.000000 
1 1 1    0    8   12 o  2020.79   38.294  105.499   3.9699  101.210   5.5949  109.848   5.6340  1979.16   55.081  2062.41   53.214 0.000000 0.000000 
1 1 1    0    8   14 o  940.538   39.207   23.113   1.8716   20.611   2.6430   25.630   2.6507  888.095   58.467  992.981   52.253 -0.000000 0.000000 
1 1 1    0    8   16 o  180.389   48.339   1.1383   0.4234   1.2385   0.5980   1.0375   0.5996  191.387   67.072  169.390   69.629 0.000000 0.000000 
1 1 1    0    8   18 o  439.947   43.897   5.3249   0.9139   4.4426   1.2834   6.2326   1.3017  397.622   69.013  482.271   54.268 0.000000 0.000000 
1 1 1    0    8   20 o  287.512   70.984   2.4901   0.9084   2.4901   0.9084   0.0000   0.0000  287.512   70.984  287.512   70.984 0.000000 0.000000 
1 1 1    0    8   22 o  1001.43   56.164   26.127   2.8709   0.0000   0.0000   26.127   2.8709  1001.43   56.164  1001.43   56.164 0.000000 0.000000 
1 1 1    0    8   24 f   65.627   28.474   0.0804   0.1883   0.0000   0.2778   0.1486   0.2560   60.387   38.877   70.867   41.613 0.000000 0.000000 
1 1 1    0    8   26 o  1970.06   39.772  100.485   4.0093  109.258   5.6736   91.734   5.6664  2056.78   53.737  1883.34   58.649 0.000000 0.000000 
1 1 1    0    8   28 o  106.123   38.576   0.3554   0.3106   0.0000   0.4507   0.6770   0.4288   76.875   49.501  135.371   59.178 -0.000000 0.000000 
1 1 1    0    8   30 o  2085.04   40.060  112.421   4.2861  110.525   6.0925  114.279   6.0308  2067.44   57.419  2102.65   55.877 -0.000000 0.000000 
1 1 1    0    8   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   34 o  1719.82   40.689   76.848   3.5782   70.684   5.0828   82.903   5.0380  1650.42   60.083  1789.21   54.885 -0.000000 0.000000 
1 1 1    0    8   36 o  1618.59   57.171   68.033   4.7441   68.033   4.7441   0.0000   0.0000  1618.59   57.171  1618.59   57.171 0.000000 0.000000 
1 1 1    0    8   38 f  2592.13   57.418  174.508   7.6435  174.508   7.6435   0.0000   0.0000  2592.13   57.418  2592.13   57.418 0.000000 0.000000 
1 1 1    0    8   40 o  582.606   60.446   9.1089   1.7659   9.1089   1.7659   0.0000   0.0000  582.606   60.446  582.606   60.446 0.000000 0.000000 
1 1 1    0    8   42 o  612.018   61.215   10.066   1.8819   10.066   1.8819   0.0000   0.0000  612.018   61.215  612.018   61.215 0.000000 0.000000 
1 1 1    0    8   44 o  547.192   64.218   8.1733   1.7415   8.1733   1.7415   0.0000   0.0000  547.192   64.218  547.192   64.218 0.000000 0.000000 
1 1 1    0    8   46 o  314.165   77.381   3.0329   1.0822   3.0329   1.0822   0.0000   0.0000  314.165   77.381  314.165   77.381 0.000000 0.000000 
1 1 1    0    8   48 o  782.456   43.160   16.119   1.7242   0.0000   0.0000   16.119   1.7242  782.456   43.160  782.456   43.160 -0.000000 0.000000 
1 1 1    0    8   50 o  851.123   43.074   19.087   1.8738   0.0000   0.0000   19.087   1.8738  851.123   43.074  851.123   43.074 -0.000000 0.000000 
1 1 1    0    8   52 o  733.574   62.582   14.712   2.3208   0.0000   0.0000   14.712   2.3208  733.574   62.582  733.574   62.582 -0.000000 0.000000 
1 1 1    0    8   54 o  225.831   61.053   1.6156   0.6127   0.0000   0.0000   1.6156   0.6127  225.831   61.053  225.831   61.053 -0.000000 0.000000 
1 1 1    0    8   56 o  202.386   61.172   1.3534   0.5552   0.0000   0.0000   1.3534   0.5552  202.386   61.172  202.386   61.172 -0.000000 0.000000 
1 1 1    0    8   58 o  292.582   56.306   2.5417   0.7564   0.0000   0.0000   2.5417   0.7564  292.582   56.306  292.582   56.306 -0.000000 0.000000 
1 1 1    0    9    1 o  105.861   37.126   0.3494   0.2455   0.1901   0.3023   0.6576   0.4205   78.407   45.588  133.316   58.611 0.000000 0.000000 
1 1 1    0    9    3 o  2707.25   43.942  188.933   6.1025  181.574   8.4000  197.158   8.8805  2651.53   61.694  2762.97   62.589 -0.000000 0.000000 
1 1 1    0    9    5 o  1335.26   40.461   46.434   2.7516   42.785   3.9850   49.757   3.8039  1283.94   60.678  1386.57   53.541 0.000000 0.000000 
1 1 1    0    9    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9    9 f  4218.04   37.671  458.695   8.1664  458.273   11.562  459.115   11.536  4216.09   53.361  4220.00   53.188 -0.000000 0.000000 
1 1 1    0    9   11 o  2701.45   38.026  188.324   5.2766  188.484   7.4490  188.163   7.4757  2702.62   53.657  2700.27   53.897 0.000000 0.000000 
1 1 1    0    9   13 o  970.652   38.694   24.528   1.9167   24.842   2.7014   24.210   2.7199  977.093   54.155  964.211   55.283 0.000000 0.000000 
1 1 1    0    9   15 o  1161.02   38.835   35.023   2.3053   33.781   3.2513   36.278   3.2691  1140.00   55.778  1182.05   54.049 0.000000 0.000000 
1 1 1    0    9   17 o  516.083   41.984   7.1891   1.0554   8.4493   1.5063   5.9738   1.4792  564.674   52.955  467.492   65.166 -0.000000 0.000000 
1 1 1    0    9   19 o  1868.02   39.426   90.692   3.7622  100.356   5.3232   81.048   5.3179  1968.80   52.675  1767.24   58.676 0.000000 0.000000 
1 1 1    0    9   21 o  1617.53   55.957   67.801   4.6408   0.0000   0.0000   67.801   4.6408  1617.53   55.957  1617.53   55.957 0.000000 0.000000 
1 1 1    0    9   23 o  183.156   45.443   1.1415   0.4472   1.7434   0.6416   0.5727   0.6237  240.711   59.915  125.602   68.342 -0.000000 0.000000 
1 1 1    0    9   25 o  691.202   40.745   12.578   1.4240   12.188   2.0188   12.963   2.0089  680.006   58.753  702.398   56.469 -0.000000 0.000000 
1 1 1    0    9   27 o  1184.92   40.147   36.479   2.4301   38.362   3.4320   34.587   3.4413  1216.14   55.148  1153.70   58.359 0.000000 0.000000 
1 1 1    0    9   29 o  711.618   41.240   13.358   1.4751   11.654   2.0716   15.111   2.1009  663.488   61.974  759.748   54.427 0.000000 0.000000 
1 1 1    0    9   31 o  193.890   73.781   1.3157   0.6919   0.0000   0.0000   1.3157   0.6919  193.890   73.781  193.890   73.781 -0.000000 0.000000 
1 1 1    0    9   33 f  3430.94   57.212  304.272   10.086   0.0000   0.0000  304.272   10.086  3430.94   57.212  3430.94   57.212 0.000000 0.000000 
1 1 1    0    9   35 o  1313.47   40.816   44.889   2.7422   43.142   3.8870   46.620   3.8691  1287.53   59.003  1339.42   56.412 -0.000000 0.000000 
1 1 1    0    9   37 o  269.262   51.840   2.3348   0.6592   1.3359   0.9109   3.4337   0.9553  187.518   86.207  351.005   57.600 0.000000 0.000000 
1 1 1    0    9   39 o  1522.56   58.023   60.481   4.5270   60.481   4.5270   0.0000   0.0000  1522.56   58.023  1522.56   58.023 0.000000 0.000000 
1 1 1    0    9   41 o   76.588   49.392   0.0000   0.4510   0.0000   0.4510   0.0000   0.0000   76.588   49.392   76.588   49.392 0.000000 0.000000 
1 1 1    0    9   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9   45 o  439.095   66.293   5.4038   1.3957   0.0000   0.0000   5.4038   1.3957  439.095   66.293  439.095   66.293 -0.000000 0.000000 
1 1 1    0    9   47 o  217.837   81.237   1.6936   0.8472   1.6936   0.8472   0.0000   0.0000  217.837   81.237  217.837   81.237 0.000000 0.000000 
1 1 1    0    9   49 o  675.775   43.264   12.076   1.4890   12.076   1.4890   0.0000   0.0000  675.775   43.264  675.775   43.264 0.000000 0.000000 
1 1 1    0    9   51 o  105.242   54.602   0.4291   0.3825   0.4291   0.3825   0.0000   0.0000  105.242   54.602  105.242   54.602 0.000000 0.000000 
1 1 1    0    9   53 o  182.671   76.896   1.2759   0.7275   1.2759   0.7275   0.0000   0.0000  182.671   76.896  182.671   76.896 0.000000 0.000000 
1 1 1    0    9   55 o  301.843   53.679   2.6358   0.7545   0.0000   0.0000   2.6358   0.7545  301.843   53.679  301.843   53.679 -0.000000 0.000000 
1 1 1    0    9   57 o  135.014   60.587   0.7138   0.4490   0.7138   0.4490   0.0000   0.0000  135.014   60.587  135.014   60.587 0.000000 0.000000 
1 1 1    0    9   59 o   65.160   42.308   0.0000   0.3386   0.0000   0.0000   0.0000   0.3386   65.160   42.308   65.160   42.308 -0.000000 0.000000 
1 1 1    0   10    0 o  2271.04   47.732  133.208   5.5607  136.047   7.8446  130.341   7.8835  2295.57   66.595  2246.52   68.399 0.000000 0.000000 
1 1 1    0   10    2 o  615.302   48.769   10.121   1.4851   11.293   2.1407   9.0331   2.0621  652.099   65.357  578.506   72.403 0.000000 0.000000 
1 1 1    0   10    4 o  195.243   77.451   1.3563   0.7497   1.3563   0.7497   0.0000   0.0000  195.243   77.451  195.243   77.451 0.000000 0.000000 
1 1 1    0   10    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10    8 o  2571.53   38.053  170.542   5.0245  175.883   7.1997  165.472   7.0152  2610.83   53.688  2532.24   53.940 0.000000 0.000000 
1 1 1    0   10   10 o  1907.31   37.927   94.011   3.7101   90.059   5.2366   97.994   5.2574  1866.77   54.668  1947.84   52.585 0.000000 0.000000 
1 1 1    0   10   12 o  461.031   40.819   5.7334   0.9264   5.7180   1.3147   5.7486   1.3057  460.255   58.072  461.807   57.379 -0.000000 0.000000 
1 1 1    0   10   14 o  1780.80   38.438   82.053   3.5106   79.330   4.9436   84.822   4.9861  1750.78   55.045  1810.83   53.664 0.000000 0.000000 
1 1 1    0   10   16 o  310.316   46.511   2.7989   0.6523   2.8952   0.9229   2.7028   0.9220  317.336   63.805  303.296   67.690 0.000000 0.000000 
1 1 1    0   10   18 o   87.721   33.289   0.2123   0.2276   0.0000   0.3060   0.4750   0.3404   63.323   40.781  112.118   52.627 0.000000 0.000000 
1 1 1    0   10   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10   22 o  922.777   39.949   22.219   1.8766   23.578   2.6678   20.888   2.6402  951.378   54.962  894.176   57.990 -0.000000 0.000000 
1 1 1    0   10   24 o  1900.99   39.511   93.407   3.8539   94.662   5.4700   92.170   5.4307  1913.73   55.702  1888.25   56.052 -0.000000 0.000000 
1 1 1    0   10   26 o  3661.39   39.543  345.855   7.4395  345.883   10.554  345.827   10.488  3661.50   56.095  3661.28   55.748 -0.000000 0.000000 
1 1 1    0   10   28 o  996.082   40.340   25.836   2.0503   26.089   2.9148   25.588   2.8845  1000.96   57.065  991.208   57.035 -0.000000 0.000000 
1 1 1    0   10   30 o  2133.76   40.109  117.817   4.3877  124.257   6.1997  111.355   6.2106  2192.70   55.073  2074.82   58.326 0.000000 0.000000 
1 1 1    0   10   32 o  509.097   60.955   6.9746   1.5349   0.0000   0.0000   6.9746   1.5349  509.097   60.955  509.097   60.955 0.000000 0.000000 
1 1 1    0   10   34 o  114.186   40.055   0.3894   0.3327   0.8278   0.4852   0.0000   0.4572  151.008   62.724   77.364   49.832 0.000000 0.000000 
1 1 1    0   10   36 o  1025.46   41.254   27.530   2.1551   25.973   3.0645   29.054   3.0314  995.861   60.362  1055.07   56.250 -0.000000 0.000000 
1 1 1    0   10   38 o  260.791   53.859   2.2015   0.6437   2.7609   0.9147   1.6527   0.9060  307.314   65.945  214.268   85.174 0.000000 0.000000 
1 1 1    0   10   40 o  972.928   58.923   24.906   2.9226   0.0000   0.0000   24.906   2.9226  972.928   58.923  972.928   58.923 -0.000000 0.000000 
1 1 1    0   10   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10   44 o   74.412   48.026   0.0000   0.4276   0.0000   0.0000   0.0000   0.4276   74.412   48.026   74.412   48.026 -0.000000 0.000000 
1 1 1    0   10   46 o  298.910   76.638   2.7760   1.0181   2.7760   1.0181   0.0000   0.0000  298.910   76.638  298.910   76.638 0.000000 0.000000 
1 1 1    0   10   48 o  305.194   77.092   2.8974   1.0461   2.8974   1.0461   0.0000   0.0000  305.194   77.092  305.194   77.092 0.000000 0.000000 
1 1 1    0   10   50 o  976.505   60.968   25.668   3.0335   0.0000   0.0000   25.668   3.0335  976.505   60.968  976.505   60.968 -0.000000 0.000000 
1 1 1    0   10   52 o  126.468   66.618   0.6304   0.5759   0.6304   0.5759   0.0000   0.0000  126.468   66.618  126.468   66.618 0.000000 0.000000 
1 1 1    0   10   54 o   94.523   52.911   0.3280   0.3858   0.0000   0.0000   0.3280   0.3858   94.523   52.911   94.523   52.911 -0.000000 0.000000 
1 1 1    0   10   56 o  669.305   44.277   12.041   1.5083   0.0000   0.0000   12.041   1.5083  669.305   44.277  669.305   44.277 -0.000000 0.000000 
1 1 1    0   10   58 o  372.144   48.686   3.8991   0.8874   0.0000   0.0000   3.8991   0.8874  372.144   48.686  372.144   48.686 -0.000000 0.000000 
1 1 1    0   11    1 o  2593.23   68.288  173.894   9.0903   0.0000   0.0000  173.894   9.0903  2593.23   68.288  2593.23   68.288 -0.000000 0.000000 
1 1 1    0   11    3 o  1052.91   66.178   28.937   3.5500   0.0000   0.0000   28.937   3.5500  1052.91   66.178  1052.91   66.178 -0.000000 0.000000 
1 1 1    0   11    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11    7 o  264.414   49.821   2.1423   0.5847   2.0957   0.8067   2.1938   0.8486  261.542   69.433  267.285   71.467 -0.000000 0.000000 
1 1 1    0   11    9 o  1039.01   38.558   28.039   2.0459   29.154   2.9310   26.979   2.8571  1059.39   54.137  1018.63   54.920 0.000000 0.000000 
1 1 1    0   11   11 o  382.863   42.507   4.0505   0.7738   4.2183   1.0950   3.8831   1.0937  392.216   58.038  373.510   62.122 0.000000 0.000000 
1 1 1    0   11   13 o  514.810   40.575   7.1101   1.0309   7.9637   1.4641   6.2707   1.4519  548.089   53.102  481.533   61.365 -0.000000 0.000000 
1 1 1    0   11   15 o  1833.38   38.569   87.051   3.6276   85.074   5.1114   89.057   5.1492  1812.25   54.975  1854.51   54.111 0.000000 0.000000 
1 1 1    0   11   17 o  134.350   36.431   0.5635   0.3206   0.0000   0.4494   1.1473   0.4575   76.678   49.396  192.022   53.562 -0.000000 0.000000 
1 1 1    0   11   19 f  2271.98   54.902  133.567   6.4046  133.567   6.4046   0.0000   0.0000  2271.98   54.902  2271.98   54.902 0.000000 0.000000 
1 1 1    0   11   21 o  3085.17   39.138  245.874   6.2014  252.279   8.7525  239.416   8.7877  3125.78   54.501  3044.55   56.184 0.000000 0.000000 
1 1 1    0   11   23 o  661.617   41.157   11.575   1.3627   9.8969   1.9049   13.334   1.9502  610.058   62.217  713.176   53.895 0.000000 0.000000 
1 1 1    0   11   25 o  777.547   40.464   15.840   1.5966   15.250   2.2493   16.438   2.2668  762.490   58.155  792.605   56.278 0.000000 0.000000 
1 1 1    0   11   27 o  238.926   50.024   1.8685   0.5668   1.2031   0.7973   2.5484   0.8059  179.343   80.738  298.508   59.085 -0.000000 0.000000 
1 1 1    0   11   29 o  1963.22   40.021   99.696   4.0256  106.965   5.7354   92.639   5.6516  2034.27   54.928  1892.16   58.221 -0.000000 0.000000 
1 1 1    0   11   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11   33 o  707.480   41.794   13.201   1.4925   12.190   2.0899   14.254   2.1322  678.667   61.031  736.293   57.116 0.000000 0.000000 
1 1 1    0   11   35 o  1450.44   40.753   54.693   3.0265   56.888   4.2959   52.530   4.2647  1479.74   56.656  1421.14   58.595 -0.000000 0.000000 
1 1 1    0   11   37 o  996.755   41.430   26.039   2.1057   25.653   2.9969   26.415   2.9594  989.122   59.424  1004.39   57.747 -0.000000 0.000000 
1 1 1    0   11   39 o  771.697   43.110   15.856   1.6633   13.084   2.3300   18.737   2.3752  699.281   66.171  844.112   55.275 0.000000 0.000000 
1 1 1    0   11   41 o  116.932   64.261   0.4991   0.5574   0.0000   0.0000   0.4991   0.5574  116.932   64.261  116.932   64.261 -0.000000 0.000000 
1 1 1    0   11   43 o  117.319   62.024   0.5227   0.5006   0.5227   0.5006   0.0000   0.0000  117.319   62.024  117.319   62.024 0.000000 0.000000 
1 1 1    0   11   45 o  922.891   59.771   22.682   2.8088   22.682   2.8088   0.0000   0.0000  922.891   59.771  922.891   59.771 0.000000 0.000000 
1 1 1    0   11   47 o  784.227   60.742   16.548   2.4153   0.0000   0.0000   16.548   2.4153  784.227   60.742  784.227   60.742 -0.000000 0.000000 
1 1 1    0   11   49 o  607.002   63.479   10.114   1.9314   10.114   1.9314   0.0000   0.0000  607.002   63.479  607.002   63.479 0.000000 0.000000 
1 1 1    0   11   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11   53 o  100.943   59.802   0.3222   0.5371   0.3222   0.5371   0.0000   0.0000  100.943   59.802  100.943   59.802 0.000000 0.000000 
1 1 1    0   11   55 o  449.206   47.430   5.5321   1.0674   0.0000   0.0000   5.5321   1.0674  449.206   47.430  449.206   47.430 -0.000000 0.000000 
1 1 1    0   11   57 o  130.108   70.454   0.6948   0.6600   0.0000   0.0000   0.6948   0.6600  130.108   70.454  130.108   70.454 -0.000000 0.000000 
1 1 1    0   12    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12    4 o  1814.28   60.652   85.168   5.6431   85.168   5.6431   0.0000   0.0000  1814.28   60.652  1814.28   60.652 -0.000000 0.000000 
1 1 1    0   12    6 o  1582.77   41.444   64.695   3.3559   67.523   4.9298   62.253   4.5813  1614.87   59.561  1550.67   57.645 0.000000 0.000000 
1 1 1    0   12    8 o  1182.03   39.413   36.227   2.3794   35.665   3.2656   36.863   3.4741  1172.46   54.443  1191.59   57.006 -0.000000 0.000000 
1 1 1    0   12   10 o  1111.65   38.600   32.085   2.1935   32.642   3.1404   31.555   3.0651  1121.09   54.784  1102.21   54.392 0.000000 0.000000 
1 1 1    0   12   12 o  2183.18   38.148  123.231   4.2738  127.752   6.0495  118.726   6.0387  2223.45   52.988  2142.91   54.893 -0.000000 0.000000 
1 1 1    0   12   14 o  533.157   40.357   7.6031   1.0714   8.1333   1.5135   7.0704   1.5170  553.351   54.405  512.963   59.622 0.000000 0.000000 
1 1 1    0   12   16 o  491.847   41.280   6.5258   0.9988   5.8642   1.4055   7.2007   1.4197  464.191   61.991  519.503   54.528 0.000000 0.000000 
1 1 1    0   12   18 o  650.005   56.246   11.158   1.8473   0.0000   0.0000   11.158   1.8473  650.005   56.246  650.005   56.246 -0.000000 0.000000 
1 1 1    0   12   20 o  1099.07   55.773   31.411   3.1330   0.0000   0.0000   31.411   3.1330  1099.07   55.773  1099.07   55.773 0.000000 0.000000 
1 1 1    0   12   22 o  324.861   49.241   3.0988   0.7121   2.4787   0.9971   3.7441   1.0173  281.583   79.540  368.139   58.069 -0.000000 0.000000 
1 1 1    0   12   24 o  1451.65   39.629   54.565   2.9475   53.976   4.1491   55.165   4.1880  1443.69   56.091  1459.60   55.996 0.000000 0.000000 
1 1 1    0   12   26 o  288.509   70.638   2.4956   0.9075   2.4956   0.9075   0.0000   0.0000  288.509   70.638  288.509   70.638 0.000000 0.000000 
1 1 1    0   12   28 o  113.635   40.970   0.4475   0.3281   0.7106   0.4620   0.1798   0.4659  138.252   61.448   89.017   54.205 0.000000 0.000000 
1 1 1    0   12   30 o  738.885   58.168   14.350   2.1782   0.0000   0.0000   14.350   2.1782  738.885   58.168  738.885   58.168 -0.000000 0.000000 
1 1 1    0   12   32 o   77.635   50.003   0.0000   0.4603   0.0000   0.0000   0.0000   0.4603   77.635   50.003   77.635   50.003 0.000000 0.000000 
1 1 1    0   12   34 o  561.742   43.949   8.4717   1.2135   7.1832   1.6894   9.8452   1.7442  514.105   67.075  609.379   56.807 0.000000 0.000000 
1 1 1    0   12   36 o  2492.44   40.690  161.237   5.2016  151.139   7.3004  171.650   7.4133  2412.47   58.939  2572.42   56.114 0.000000 0.000000 
1 1 1    0   12   38 o  1003.40   41.766   26.509   2.1234   29.952   3.0165   23.126   2.9896  1070.17   55.160  936.627   62.729 0.000000 0.000000 
1 1 1    0   12   40 o  874.736   41.945   20.200   1.8640   21.557   2.6670   18.905   2.6062  904.357   57.904  845.115   60.701 -0.000000 0.000000 
1 1 1    0   12   42 o  444.750   66.863   5.5170   1.4269   5.5170   1.4269   0.0000   0.0000  444.750   66.863  444.750   66.863 -0.000000 0.000000 
1 1 1    0   12   44 o  630.630   62.359   10.757   1.9764   0.0000   0.0000   10.757   1.9764  630.630   62.359  630.630   62.359 -0.000000 0.000000 
1 1 1    0   12   46 o   95.951   56.632   0.2808   0.4785   0.0000   0.0000   0.2808   0.4785   95.951   56.632   95.951   56.632 -0.000000 0.000000 
1 1 1    0   12   48 o  320.606   81.669   3.2209   1.1638   3.2209   1.1638   0.0000   0.0000  320.606   81.669  320.606   81.669 0.000000 0.000000 
1 1 1    0   12   50 o  424.034   70.538   5.1844   1.4098   0.0000   0.0000   5.1844   1.4098  424.034   70.538  424.034   70.538 -0.000000 0.000000 
1 1 1    0   12   52 o  127.112   68.263   0.6345   0.6148   0.6345   0.6148   0.0000   0.0000  127.112   68.263  127.112   68.263 0.000000 0.000000 
1 1 1    0   12   54 o  100.192   58.979   0.3297   0.5166   0.3297   0.5166   0.0000   0.0000  100.192   58.979  100.192   58.979 0.000000 0.000000 
1 1 1    0   12   56 o  100.470   59.039   0.3423   0.5160   0.3423   0.5160   0.0000   0.0000  100.470   59.039  100.470   59.039 0.000000 0.000000 
1 1 1    0   12   58 o  130.442   67.313   0.7100   0.5790   0.0000   0.0000   0.7100   0.5790  130.442   67.313  130.442   67.313 -0.000000 0.000000 
1 1 1    0   13    1 o  368.841   59.544   4.0592   0.9754   4.9603   1.3952   3.1976   1.3643  422.144   70.094  315.538   96.273 0.000000 0.000000 
1 1 1    0   13    3 o  1535.38   46.293   61.096   3.6353   62.521   5.2874   59.819   5.0062  1552.19   66.535  1518.57   64.385 0.000000 0.000000 
1 1 1    0   13    5 o  448.030   48.969   5.5548   1.0395   5.3169   1.5239   5.7617   1.4215  436.047   74.508  460.013   63.563 0.000000 0.000000 
1 1 1    0   13    7 o  1519.86   41.059   59.798   3.1882   60.364   4.7024   59.317   4.3373  1526.11   60.144  1513.61   55.910 0.000000 0.000000 
1 1 1    0   13    9 f  770.655   39.866   15.544   1.5578   15.895   2.2752   15.235   2.1374  778.654   57.556  762.656   55.176 0.000000 0.000000 
1 1 1    0   13   11 o  211.885   49.367   1.4870   0.4796   1.3729   0.6893   1.5942   0.6678  199.840   72.849  223.930   66.643 0.000000 0.000000 
1 1 1    0   13   13 o  479.714   41.609   6.2395   0.9690   5.3199   1.3651   7.1735   1.3757  440.181   64.337  519.246   52.783 -0.000000 0.000000 
1 1 1    0   13   15 o  1918.83   38.551   95.444   3.7938   91.771   5.3734   99.094   5.3571  1881.60   55.655  1956.06   53.359 -0.000000 0.000000 
1 1 1    0   13   17 o  1497.70   38.802   58.182   2.9781   59.714   4.2313   56.678   4.1923  1517.43   54.395  1477.97   55.349 -0.000000 0.000000 
1 1 1    0   13   19 o  983.243   55.533   25.188   2.7868   0.0000   0.0000   25.188   2.7868  983.243   55.533  983.243   55.533 0.000000 0.000000 
1 1 1    0   13   21 o  2039.65   39.059  107.509   4.0890  107.534   5.7674  107.484   5.7981  2039.92   55.083  2039.38   55.392 0.000000 0.000000 
1 1 1    0   13   23 o  1451.36   39.458   54.545   2.9336   52.925   4.1337   56.190   4.1639  1429.42   56.448  1473.30   55.147 0.000000 0.000000 
1 1 1    0   13   25 o  1222.63   39.835   38.784   2.4904   37.074   3.5014   40.535   3.5429  1195.00   57.291  1250.27   55.364 0.000000 0.000000 
1 1 1    0   13   27 o  109.076   41.042   0.4335   0.3136   0.5214   0.4545   0.3536   0.4332  117.456   59.851  100.696   56.174 0.000000 0.000000 
1 1 1    0   13   29 o  1834.42   40.098   87.167   3.7683   92.195   5.3214   82.110   5.3368  1888.06   54.926  1780.79   58.434 0.000000 0.000000 
1 1 1    0   13   31 o  642.204   59.883   10.926   1.9377   0.0000   0.0000   10.926   1.9377  642.204   59.883  642.204   59.883 0.000000 0.000000 
1 1 1    0   13   33 o  2295.49   40.361  136.423   4.7563  134.492   6.7108  138.373   6.7422  2279.05   57.355  2311.93   56.800 0.000000 0.000000 
1 1 1    0   13   35 f  695.023   41.963   12.781   1.4735   12.277   2.0715   13.297   2.0965  680.540   60.293  709.507   58.382 0.000000 0.000000 
1 1 1    0   13   37 o  1069.03   41.549   29.987   2.2520   25.832   3.1477   34.345   3.2233  991.112   62.338  1146.95   54.949 0.000000 0.000000 
1 1 1    0   13   39 o  1008.43   41.966   26.802   2.1494   29.541   3.0478   24.092   3.0318  1061.48   56.207  955.388   62.332 0.000000 0.000000 
1 1 1    0   13   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   13   43 o  1113.59   42.194   32.796   2.3993   31.850   3.3708   33.768   3.4160  1096.91   60.185  1130.28   59.154 0.000000 0.000000 
1 1 1    0   13   45 o   66.604   30.427   0.0000   0.2396   0.0000   0.3750   0.0000   0.3114   69.651   44.961   63.558   41.007 0.000000 0.000000 
1 1 1    0   13   47 o  148.487   72.108   0.8674   0.6449   0.8674   0.6449   0.0000   0.0000  148.487   72.108  148.487   72.108 0.000000 0.000000 
1 1 1    0   13   49 o  486.940   64.332   6.6262   1.5323   0.0000   0.0000   6.6262   1.5323  486.940   64.332  486.940   64.332 -0.000000 0.000000 
1 1 1    0   13   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   13   53 o   99.087   58.029   0.3257   0.4955   0.3257   0.4955   0.0000   0.0000   99.087   58.029   99.087   58.029 0.000000 0.000000 
1 1 1    0   13   55 o  129.441   69.838   0.6763   0.6463   0.6763   0.6463   0.0000   0.0000  129.441   69.838  129.441   69.838 0.000000 0.000000 
1 1 1    0   13   57 o  456.307   47.827   5.7626   1.0938   5.7626   1.0938   0.0000   0.0000  456.307   47.827  456.307   47.827 0.000000 0.000000 
1 1 1    0   14    0 o  1461.17   48.344   55.364   3.6128   56.829   5.1261   53.918   5.0927  1480.63   67.661  1441.70   69.068 -0.000000 0.000000 
1 1 1    0   14    2 o  1492.20   40.765   57.648   2.9746   57.581   3.6933   57.772   5.0186  1492.65   48.240  1491.74   65.726 0.000000 0.000000 
1 1 1    0   14    4 o  582.622   49.180   9.2169   1.3952   10.175   1.9225   8.1505   2.0278  618.944   61.831  546.300   76.496 -0.000000 0.000000 
1 1 1    0   14    6 o  642.076   44.975   11.008   1.4353   11.510   1.9424   10.405   2.1303  660.406   58.251  623.746   68.539 -0.000000 0.000000 
1 1 1    0   14    8 o  1579.20   40.766   64.576   3.2893   64.166   4.4705   65.060   4.8569  1574.19   55.393  1584.21   59.826 -0.000000 0.000000 
1 1 1    0   14   10 o  1748.64   39.249   79.091   3.5158   80.666   5.1272   77.694   4.8302  1764.84   56.640  1732.44   54.351 0.000000 0.000000 
1 1 1    0   14   12 o  2244.81   38.687  130.510   4.4555  127.191   6.3718  133.684   6.2325  2216.46   55.996  2273.16   53.396 0.000000 0.000000 
1 1 1    0   14   14 o  1616.60   38.570   67.798   3.1960   70.084   4.5205   65.514   4.5192  1644.19   53.606  1589.02   55.471 -0.000000 0.000000 
1 1 1    0   14   16 o   52.221   23.933   0.0000   0.1376   0.0000   0.1626   0.0000   0.2587   46.193   29.739   58.248   37.507 -0.000000 0.000000 
1 1 1    0   14   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   14   20 o  637.290   40.423   10.730   1.2990   10.358   1.8415   11.098   1.8327  625.670   58.418  648.911   55.886 -0.000000 0.000000 
1 1 1    0   14   22 o  1815.75   39.333   85.296   3.6564   78.549   5.1423   92.195   5.2000  1742.52   57.542  1888.99   53.641 0.000000 0.000000 
1 1 1    0   14   24 o   87.812   35.718   0.2401   0.2611   0.1591   0.3673   0.3227   0.3712   80.428   48.560   95.196   52.394 0.000000 0.000000 
1 1 1    0   14   26 o   62.069   28.441   0.0000   0.1947   0.0000   0.2303   0.0000   0.3645   54.990   35.401   69.148   44.522 0.000000 0.000000 
1 1 1    0   14   28 o  4212.64   39.810  458.473   8.6096  480.727   12.144  435.987   12.207  4316.03   54.749  4109.25   57.808 0.000000 0.000000 
1 1 1    0   14   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   14   32 o  370.286   52.214   4.0432   0.8363   2.6871   1.1605   5.5080   1.2061  287.968   89.476  452.603   53.843 -0.000000 0.000000 
1 1 1    0   14   34 o  911.169   42.006   21.872   1.9221   26.083   2.7489   17.845   2.6885  1000.05   53.821  822.283   64.508 0.000000 0.000000 
1 1 1    0   14   36 o  950.706   41.838   23.766   2.0098   20.208   2.8051   27.520   2.8809  875.282   63.089  1026.13   54.968 0.000000 0.000000 
1 1 1    0   14   38 o  767.402   42.241   15.589   1.6431   15.267   2.3025   15.923   2.3455  759.157   59.848  775.648   59.627 0.000000 0.000000 
1 1 1    0   14   40 o  648.571   60.351   11.256   1.9723   0.0000   0.0000   11.256   1.9723  648.571   60.351  648.571   60.351 -0.000000 0.000000 
1 1 1    0   14   42 o  171.867   48.225   1.0536   0.4723   0.5236   0.6649   1.5934   0.6711  121.955   68.978  221.779   67.414 0.000000 0.000000 
1 1 1    0   14   44 o  436.854   47.703   5.3760   0.9938   5.4709   1.3854   5.2754   1.4265  442.355   65.037  431.353   69.804 0.000000 0.000000 
1 1 1    0   14   46 o  391.696   54.276   4.6143   0.9333   3.4248   1.3238   5.7895   1.3159  325.196   91.466  458.197   58.457 0.000000 0.000000 
1 1 1    0   14   48 o  1008.93   61.680   27.359   3.1721   27.359   3.1721   0.0000   0.0000  1008.93   61.680  1008.93   61.680 0.000000 0.000000 
1 1 1    0   14   50 o  152.408   74.872   0.9284   0.6986   0.0000   0.0000   0.9284   0.6986  152.408   74.872  152.408   74.872 -0.000000 0.000000 
1 1 1    0   14   52 f  627.034   64.724   10.937   2.0356   10.937   2.0356   0.0000   0.0000  627.034   64.724  627.034   64.724 0.000000 0.000000 
1 1 1    0   14   54 o  156.477   75.991   1.0021   0.7162   0.0000   0.0000   1.0021   0.7162  156.477   75.991  156.477   75.991 -0.000000 0.000000 
1 1 1    0   14   56 o  211.229   84.511   1.7326   0.8903   0.0000   0.0000   1.7326   0.8903  211.229   84.511  211.229   84.511 -0.000000 0.000000 
1 1 1    0   15    1 o  1929.83   41.462   96.345   3.9003   96.340   4.8184   96.353   6.6426  1931.68   48.587  1927.98   67.200 0.000000 0.000000 
1 1 1    0   15    3 o   50.701   23.204   0.0000   0.1312   0.0000   0.2387   0.0000   0.1571   55.978   36.038   45.423   29.240 0.000000 0.000000 
1 1 1    0   15    5 o  173.291   53.153   1.1064   0.4883   1.0770   0.6640   1.1410   0.7204  171.057   73.597  175.526   76.709 -0.000000 0.000000 
1 1 1    0   15    7 o  2011.67   42.813  105.259   4.3864  109.275   5.9283  100.400   6.5207  2055.38   56.196  1967.95   64.606 -0.000000 0.000000 
1 1 1    0   15    9 o  429.252   47.790   5.2122   0.9364   4.3227   1.3854   5.9604   1.2707  387.068   78.660  471.436   54.296 0.000000 0.000000 
1 1 1    0   15   11 o  748.291   40.091   14.663   1.5178   13.337   2.0808   16.171   2.2188  711.342   57.773  785.240   55.599 -0.000000 0.000000 
1 1 1    0   15   13 o  1001.17   39.236   26.126   2.0029   24.445   2.7912   27.910   2.8759  967.428   56.560  1034.92   54.394 -0.000000 0.000000 
1 1 1    0   15   15 o  1205.14   38.812   37.757   2.3933   37.366   3.3903   38.146   3.3788  1198.78   55.277  1211.51   54.497 0.000000 0.000000 
1 1 1    0   15   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   15   19 o  1318.84   39.111   45.103   2.6404   46.392   3.7296   43.808   3.7385  1338.01   54.422  1299.67   56.188 0.000000 0.000000 
1 1 1    0   15   21 o  839.193   39.913   18.419   1.6980   16.606   2.3820   20.292   2.4210  795.992   58.950  882.394   53.825 0.000000 0.000000 
1 1 1    0   15   23 o  183.725   48.827   1.1922   0.4652   0.7910   0.6684   1.5691   0.6479  144.422   72.809  223.028   65.077 -0.000000 0.000000 
1 1 1    0   15   25 o  1117.79   39.861   32.458   2.2766   33.688   3.2427   31.263   3.1969  1138.97   55.680  1096.61   57.056 -0.000000 0.000000 
1 1 1    0   15   27 o  1758.72   39.795   80.048   3.5894   78.856   5.0935   81.224   5.0590  1745.55   56.893  1771.90   55.658 -0.000000 0.000000 
1 1 1    0   15   29 o  510.187   60.248   6.9951   1.5224   0.0000   0.0000   6.9951   1.5224  510.187   60.248  510.187   60.248 -0.000000 0.000000 
1 1 1    0   15   31 o  271.412   51.198   2.3724   0.6674   1.2013   0.9195   3.6764   0.9703  177.343   86.109  365.481   55.411 0.000000 0.000000 
1 1 1    0   15   33 o  883.807   41.102   20.465   1.8491   20.308   2.6072   20.624   2.6228  880.330   58.188  887.284   58.067 0.000000 0.000000 
1 1 1    0   15   35 f  1662.34   40.767   71.898   3.4743   72.698   4.8962   71.085   4.9307  1671.89   57.113  1652.80   58.189 0.000000 0.000000 
1 1 1    0   15   37 o  1890.88   40.886   93.148   3.9654   90.544   5.5754   95.813   5.6411  1863.85   58.312  1917.90   57.325 0.000000 0.000000 
1 1 1    0   15   39 o  172.128   43.687   0.8087   0.4743   0.0000   0.6153   1.9919   0.7443   89.269   57.614  254.988   65.687 0.000000 0.000000 
1 1 1    0   15   41 o  1098.50   59.619   31.846   3.3444   0.0000   0.0000   31.846   3.3444  1098.50   59.619  1098.50   59.619 0.000000 0.000000 
1 1 1    0   15   43 o  202.581   55.000   1.4590   0.6076   2.1580   0.8790   0.8195   0.8408  258.662   76.065  146.501   79.461 0.000000 0.000000 
1 1 1    0   15   45 o  579.127   45.082   9.2111   1.2911   10.136   1.8190   8.2721   1.8327  611.904   59.087  546.349   68.104 0.000000 0.000000 
1 1 1    0   15   47 o  112.345   44.410   0.4496   0.3922   0.2971   0.5699   0.5869   0.5407  101.724   60.950  122.965   64.608 -0.000000 0.000000 
1 1 1    0   15   49 o   67.849   43.844   0.0000   0.3579   0.0000   0.3579   0.0000   0.0000   67.849   43.844   67.849   43.844 0.000000 0.000000 
1 1 1    0   15   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   15   53 o  713.482   65.355   14.186   2.3511   0.0000   0.0000   14.186   2.3511  713.482   65.355  713.482   65.355 -0.000000 0.000000 
1 1 1    0   15   55 o  130.633   72.513   0.6846   0.7179   0.6846   0.7179   0.0000   0.0000  130.633   72.513  130.633   72.513 0.000000 0.000000 
1 1 1    0   15   57 o  183.256   84.521   1.4192   0.8759   0.0000   0.0000   1.4192   0.8759  183.256   84.521  183.256   84.521 -0.000000 0.000000 
1 1 1    0   16    0 o  1512.41   48.558   59.356   3.7557   61.431   5.2998   57.262   5.3231  1539.41   67.255  1485.40   70.058 0.000000 0.000000 
1 1 1    0   16    2 o  646.349   43.373   11.206   1.3308   11.513   1.6559   10.645   2.2364  662.867   49.212  629.831   71.435 0.000000 0.000000 
1 1 1    0   16    4 o  638.209   48.453   10.874   1.5423   11.098   2.2608   10.678   2.1094  643.879   70.440  632.539   66.551 0.000000 0.000000 
1 1 1    0   16    6 o  139.533   44.611   0.6692   0.3776   0.3365   0.5065   1.0855   0.5666  102.673   59.306  176.393   66.658 -0.000000 0.000000 
1 1 1    0   16    8 o  2247.90   41.743  130.315   4.7990  137.398   7.1648  124.552   6.4630  2302.70   60.615  2193.10   57.409 0.000000 0.000000 
1 1 1    0   16   10 f  874.258   40.704   19.982   1.8062   19.563   2.4532   20.478   2.6693  864.643   55.715  883.872   59.356 -0.000000 0.000000 
1 1 1    0   16   12 o  1025.30   39.789   27.492   2.0765   26.274   3.0107   28.597   2.8677  1002.70   58.866  1047.91   53.548 0.000000 0.000000 
1 1 1    0   16   14 o  1014.81   39.467   26.828   2.0440   27.949   2.9313   25.768   2.8516  1035.71   55.412  993.909   56.216 0.000000 0.000000 
1 1 1    0   16   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   16   18 o  1171.29   39.090   35.617   2.3419   35.990   3.3077   35.241   3.3162  1177.56   54.906  1165.01   55.654 0.000000 0.000000 
1 1 1    0   16   20 f  2429.06   39.025  152.362   4.8673  150.069   6.8949  154.640   6.8721  2410.71   55.697  2447.41   54.677 -0.000000 0.000000 
1 1 1    0   16   22 o  1261.30   39.565   41.283   2.5480   37.805   3.5797   44.855   3.6275  1206.69   58.006  1315.91   53.823 0.000000 0.000000 
1 1 1    0   16   24 o  1069.70   39.795   29.748   2.1740   30.771   3.0893   28.745   3.0598  1088.22   55.548  1051.18   57.000 -0.000000 0.000000 
1 1 1    0   16   26 o  2273.12   39.626  133.567   4.6227  129.429   6.5466  137.683   6.5286  2237.73   56.987  2308.52   55.077 -0.000000 0.000000 
1 1 1    0   16   28 o  1713.45   56.157   76.009   4.9350   0.0000   0.0000   76.009   4.9350  1713.45   56.157  1713.45   56.157 -0.000000 0.000000 
1 1 1    0   16   30 o  919.750   57.951   22.110   2.7154   0.0000   0.0000   22.110   2.7154  919.750   57.951  919.750   57.951 0.000000 0.000000 
1 1 1    0   16   32 o  1905.18   40.389   94.088   3.9474   91.739   5.5539   96.486   5.6115  1880.97   57.553  1929.39   56.681 0.000000 0.000000 
1 1 1    0   16   34 o  592.389   43.024   9.3952   1.2720   10.086   1.7954   8.6990   1.8024  616.032   57.861  568.746   63.690 0.000000 0.000000 
1 1 1    0   16   36 o  264.993   53.471   2.2477   0.6696   3.2733   0.9903   1.3839   0.9088  338.928   63.304  191.057   86.193 -0.000000 0.000000 
1 1 1    0   16   38 o  483.984   45.751   6.4333   1.0663   7.3424   1.5279   5.5701   1.4889  521.512   58.924  446.456   70.004 -0.000000 0.000000 
1 1 1    0   16   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   16   42 o  1176.65   41.964   36.609   2.5220   38.170   3.5697   35.054   3.5637  1202.58   58.044  1150.73   60.621 -0.000000 0.000000 
1 1 1    0   16   44 o  228.304   55.425   1.8017   0.6037   2.2191   0.8646   1.4044   0.8434  264.459   73.512  192.149   82.967 0.000000 0.000000 
1 1 1    0   16   46 o  714.482   43.805   13.827   1.5811   14.060   2.2484   13.598   2.2239  720.710   61.722  708.255   62.175 -0.000000 0.000000 
1 1 1    0   16   48 o  1201.97   43.231   38.776   2.6512   41.306   3.7565   36.266   3.7422  1242.98   59.087  1160.97   63.122 0.000000 0.000000 
1 1 1    0   16   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   16   52 o  209.053   81.349   1.6288   0.8335   1.6288   0.8335   0.0000   0.0000  209.053   81.349  209.053   81.349 0.000000 0.000000 
1 1 1    0   16   54 o  103.067   61.497   0.3381   0.5752   0.3381   0.5752   0.0000   0.0000  103.067   61.497  103.067   61.497 0.000000 0.000000 
1 1 1    0   16   56 o  101.075   59.525   0.3505   0.5266   0.0000   0.0000   0.3505   0.5266  101.075   59.525  101.075   59.525 -0.000000 0.000000 
1 1 1    0   17    1 o  1476.87   42.826   57.838   3.0422   53.025   5.1709   60.385   3.7622  1425.87   70.937  1527.88   48.002 -0.000000 0.000000 
1 1 1    0   17    3 o  1191.72   42.028   37.858   2.4172   34.116   4.0394   39.945   3.0171  1141.68   69.406  1241.76   47.415 -0.000000 0.000000 
1 1 1    0   17    5 o  106.145   41.219   0.4001   0.3204   0.4386   0.4960   0.3724   0.4197  110.488   60.655  101.801   55.829 0.000000 0.000000 
1 1 1    0   17    7 o  736.723   44.488   14.220   1.6489   15.850   2.4781   12.924   2.2088  774.997   63.160  698.449   62.670 0.000000 0.000000 
1 1 1    0   17    9 o  2853.37   41.874  211.579   6.0944  204.831   9.0875  217.094   8.2159  2810.41   62.965  2896.33   55.220 0.000000 0.000000 
1 1 1    0   17   11 o  964.726   40.597   24.277   1.9911   24.823   2.9469   23.818   2.7007  974.259   59.338  955.194   55.422 0.000000 0.000000 
1 1 1    0   17   13 o  163.136   45.333   0.8926   0.4071   0.4728   0.5419   1.4364   0.6168  114.937   63.290  211.335   64.921 -0.000000 0.000000 
1 1 1    0   17   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   17   17 o  1278.55   39.156   42.426   2.5600   44.587   3.6150   40.252   3.6258  1311.73   53.809  1245.38   56.899 -0.000000 0.000000 
1 1 1    0   17   19 o  1520.78   39.114   59.860   3.0490   59.549   4.3110   60.171   4.3130  1516.79   55.450  1524.78   55.182 -0.000000 0.000000 
1 1 1    0   17   21 o  774.930   40.180   15.740   1.5794   16.440   2.2300   15.036   2.2374  792.867   55.324  756.993   58.283 -0.000000 0.000000 
1 1 1    0   17   23 o  113.565   38.661   0.3933   0.3134   0.0000   0.4353   0.8165   0.4515   75.555   48.650  151.575   60.100 -0.000000 0.000000 
1 1 1    0   17   25 o  1959.96   55.950   99.324   5.6275   0.0000   0.0000   99.324   5.6275  1959.96   55.950  1959.96   55.950 -0.000000 0.000000 
1 1 1    0   17   27 o  1166.10   40.129   35.338   2.3918   36.709   3.4007   33.996   3.3646  1188.82   55.921  1143.38   57.569 -0.000000 0.000000 
1 1 1    0   17   29 o  724.537   58.210   13.817   2.1361   0.0000   0.0000   13.817   2.1361  724.537   58.210  724.537   58.210 0.000000 0.000000 
1 1 1    0   17   31 o  1230.38   40.666   39.392   2.5535   36.036   3.5765   42.882   3.6470  1176.06   59.499  1284.71   55.450 0.000000 0.000000 
1 1 1    0   17   33 o  697.120   41.758   12.866   1.4695   12.119   2.0781   13.612   2.0783  675.812   60.950  718.428   57.096 -0.000000 0.000000 
1 1 1    0   17   35 o  231.082   45.260   1.6931   0.5822   0.4627   0.7869   3.1809   0.8653  123.684   72.801  338.480   53.796 -0.000000 0.000000 
1 1 1    0   17   37 o   98.931   40.487   0.2856   0.3549   0.0000   0.5602   0.4770   0.4587   85.294   55.020  112.568   59.410 -0.000000 0.000000 
1 1 1    0   17   39 o  506.493   62.692   6.9997   1.5653   0.0000   0.0000   6.9997   1.5653  506.493   62.692  506.493   62.692 -0.000000 0.000000 
1 1 1    0   17   41 o  438.984   46.979   5.3949   0.9829   4.9701   1.3852   5.8257   1.3949  418.445   70.364  459.523   62.266 0.000000 0.000000 
1 1 1    0   17   43 o  851.423   42.761   19.382   1.8465   20.751   2.6238   18.038   2.5991  882.742   58.401  820.104   62.476 -0.000000 0.000000 
1 1 1    0   17   45 o  200.144   51.462   1.4147   0.5382   2.0209   0.7769   0.8554   0.7463  253.063   69.074  147.225   76.302 -0.000000 0.000000 
1 1 1    0   17   47 o  1421.36   42.609   53.944   3.1006   52.877   4.3683   55.027   4.4017  1406.78   60.654  1435.95   59.859 0.000000 0.000000 
1 1 1    0   17   49 o  105.281   63.645   0.3091   0.6326   0.3091   0.6326   0.0000   0.0000  105.281   63.645  105.281   63.645 0.000000 0.000000 
1 1 1    0   17   51 o  254.334   49.394   2.3203   0.7077   0.6425   1.0183   3.8876   0.9842  137.559   81.945  371.109   55.175 0.000000 0.000000 
1 1 1    0   17   53 o  103.349   61.790   0.3335   0.5831   0.0000   0.0000   0.3335   0.5831  103.349   61.790  103.349   61.790 -0.000000 0.000000 
1 1 1    0   17   55 f  322.858   85.610   3.4585   1.2278   0.0000   0.0000   3.4585   1.2278  322.858   85.610  322.858   85.610 -0.000000 0.000000 
1 1 1    0   18    0 o  1294.93   49.518   43.875   3.2471   50.145   4.5975   37.633   4.5868  1389.72   64.665  1200.15   75.009 0.000000 0.000000 
1 1 1    0   18    2 o  308.123   54.630   3.1484   0.7163   3.7091   0.8998   2.1777   1.1839  369.398   49.948  246.847   97.175 0.000000 0.000000 
1 1 1    0   18    4 o  717.815   48.645   13.671   1.7543   14.476   2.5750   12.974   2.3964  737.821   69.288  697.808   68.298 0.000000 0.000000 
1 1 1    0   18    6 o  372.925   54.438   4.0038   0.9183   4.3544   1.3718   3.7192   1.2360  389.067   77.195  356.782   76.778 0.000000 0.000000 
1 1 1    0   18    8 o  1399.89   43.675   51.137   3.1054   52.012   4.1652   50.041   4.6596  1414.68   57.483  1385.11   65.770 -0.000000 0.000000 
1 1 1    0   18   10 o  935.200   42.584   23.056   2.0073   21.590   2.9949   24.252   2.7048  906.267   65.046  964.133   54.977 0.000000 0.000000 
1 1 1    0   18   12 o  1338.93   40.442   46.542   2.7626   46.800   4.0858   46.324   3.7497  1341.81   59.492  1336.05   54.798 0.000000 0.000000 
1 1 1    0   18   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   18   16 o  1897.35   39.252   93.013   3.8203   95.373   5.4890   90.796   5.3204  1920.70   55.692  1873.99   55.331 0.000000 0.000000 
1 1 1    0   18   18 o  854.060   39.978   19.081   1.7292   21.311   2.4654   16.922   2.4261  904.617   53.436  803.503   59.479 0.000000 0.000000 
1 1 1    0   18   20 o  1312.27   39.374   44.640   2.6447   43.313   3.7370   45.971   3.7434  1292.47   56.484  1332.07   54.872 0.000000 0.000000 
1 1 1    0   18   22 o   81.412   34.781   0.1628   0.2631   0.1618   0.4131   0.1634   0.3413   84.012   51.102   78.812   47.196 0.000000 0.000000 
1 1 1    0   18   24 o  928.422   40.001   22.480   1.8930   22.672   2.6730   22.286   2.6812  932.528   56.221  924.315   56.916 0.000000 0.000000 
1 1 1    0   18   26 o  1937.35   39.719   97.139   3.9445   91.814   5.5632  102.523   5.5938  1883.49   57.572  1991.22   54.734 0.000000 0.000000 
1 1 1    0   18   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   18   30 o  146.828   48.948   0.8158   0.4158   0.8223   0.6199   0.8105   0.5606  147.011   70.790  146.644   67.619 -0.000000 0.000000 
1 1 1    0   18   32 o  1740.65   40.502   78.674   3.6134   75.044   5.0749   82.406   5.1460  1699.50   58.237  1781.80   56.303 0.000000 0.000000 
1 1 1    0   18   34 o  321.147   51.380   3.0602   0.7387   2.9112   1.0592   3.2013   1.0308  310.005   76.782  332.290   68.296 0.000000 0.000000 
1 1 1    0   18   36 o  584.120   44.091   9.2571   1.2604   10.829   1.7783   7.6706   1.7867  638.807   55.088  529.433   68.857 0.000000 0.000000 
1 1 1    0   18   38 o  642.540   42.956   11.058   1.3891   11.099   1.9353   11.014   1.9949  644.286   59.598  640.793   61.878 0.000000 0.000000 
1 1 1    0   18   40 o   63.108   40.690   0.0000   0.3059   0.0000   0.3059   0.0000   0.0000   63.108   40.690   63.108   40.690 -0.000000 0.000000 
1 1 1    0   18   42 o  122.963   42.675   0.5606   0.3511   0.2696   0.5122   0.8186   0.4823   97.177   58.005  148.748   62.611 0.000000 0.000000 
1 1 1    0   18   44 o  470.516   50.428   6.3326   1.0817   4.8394   1.5172   7.8759   1.5425  402.873   82.933  538.160   57.392 -0.000000 0.000000 
1 1 1    0   18   46 o   86.909   37.633   0.1558   0.3289   0.2966   0.4539   0.0000   0.4774   95.618   55.744   78.201   50.573 -0.000000 0.000000 
1 1 1    0   18   48 o  720.455   48.170   14.436   1.6664   10.371   2.3133   18.822   2.4025  604.019   78.086  836.890   56.427 0.000000 0.000000 
1 1 1    0   18   50 o  1041.79   62.050   29.471   3.2965   0.0000   0.0000   29.471   3.2965  1041.79   62.050  1041.79   62.050 0.000000 0.000000 
1 1 1    0   18   52 o  424.064   56.265   5.4583   1.0793   4.6091   1.5281   6.3037   1.5246  379.911   90.121  468.217   67.390 0.000000 0.000000 
1 1 1    0   18   54 o  251.761   92.767   2.3905   1.1115   0.0000   0.0000   2.3905   1.1115  251.761   92.767  251.761   92.767 -0.000000 0.000000 
1 1 1    0   18   56 o  156.902   79.402   1.0617   0.7967   0.0000   0.0000   1.0617   0.7967  156.902   79.402  156.902   79.402 -0.000000 0.000000 
1 1 1    0   19    1 o  903.013   42.709   21.396   1.8603   21.431   2.2976   21.330   3.1697  906.987   49.612  899.039   69.532 0.000000 0.000000 
1 1 1    0   19    3 o  662.505   42.700   11.676   1.3597   11.778   1.6958   11.493   2.2751  669.876   49.874  655.133   69.323 0.000000 0.000000 
1 1 1    0   19    5 o  2730.40   46.736  193.889   6.5238  197.967   8.8812  189.110   9.6143  2763.06   62.592  2697.74   69.422 -0.000000 0.000000 
1 1 1    0   19    7 f  547.700   48.181   7.9911   1.2642   6.2720   1.6815   10.226   1.9174  475.637   74.126  619.764   61.570 -0.000000 0.000000 
1 1 1    0   19    9 o  1145.53   42.917   33.827   2.4965   38.085   3.7856   30.550   3.3211  1208.97   61.263  1082.09   60.120 0.000000 0.000000 
1 1 1    0   19   11 o  390.843   50.570   4.3967   0.8883   4.8106   1.1860   3.8678   1.3406  420.164   58.066  361.522   82.811 -0.000000 0.000000 
1 1 1    0   19   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   19   15 o  1625.48   39.757   68.321   3.3099   67.177   4.5599   69.594   4.8120  1611.27   55.192  1639.70   57.239 -0.000000 0.000000 
1 1 1    0   19   17 o  5225.98   39.338  703.916   10.563  719.540   15.192  689.292   14.697  5282.01   55.956  5169.95   55.307 0.000000 0.000000 
1 1 1    0   19   19 o  2663.34   39.283  183.283   5.3675  192.273   7.5627  174.159   7.6192  2729.61   53.938  2597.07   57.126 -0.000000 0.000000 
1 1 1    0   19   21 o  847.374   40.401   18.816   1.7299   16.365   2.4291   21.338   2.4642  789.587   60.661  905.161   53.376 0.000000 0.000000 
1 1 1    0   19   23 o  1420.52   56.013   52.286   4.0764   52.286   4.0764   0.0000   0.0000  1420.52   56.013  1420.52   56.013 0.000000 0.000000 
1 1 1    0   19   25 o  2411.89   39.630  150.362   4.9072  146.839   6.9398  153.886   6.9398  2383.43   56.707  2440.35   55.377 -0.000000 0.000000 
1 1 1    0   19   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   19   29 o  1934.68   40.101   96.981   3.9788  100.725   5.6326   93.253   5.6212  1972.32   55.647  1897.03   57.756 0.000000 0.000000 
1 1 1    0   19   31 o  841.040   41.638   18.653   1.7585   15.427   2.4599   22.025   2.5147  763.776   63.662  918.304   53.684 0.000000 0.000000 
1 1 1    0   19   33 o  893.429   41.416   21.026   1.8752   23.071   2.6463   18.963   2.6574  938.777   55.267  848.081   61.698 0.000000 0.000000 
1 1 1    0   19   35 o  199.147   53.136   1.4131   0.5487   1.8604   0.7685   0.9482   0.7835  241.471   71.215  156.823   78.882 0.000000 0.000000 
1 1 1    0   19   37 o  648.773   43.266   11.286   1.4070   10.174   1.9822   12.416   1.9976  614.302   64.379  683.244   57.820 -0.000000 0.000000 
1 1 1    0   19   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   19   41 o  146.932   47.564   0.8203   0.4184   1.0778   0.5762   0.5328   0.6087  173.251   67.691  120.613   66.837 -0.000000 0.000000 
1 1 1    0   19   43 o  615.277   46.318   10.466   1.3731   12.928   1.9528   8.0590   1.9311  694.943   55.470  535.611   74.191 -0.000000 0.000000 
1 1 1    0   19   45 o  769.889   43.428   16.005   1.6929   16.687   2.4153   15.346   2.3733  786.820   60.532  752.958   62.289 -0.000000 0.000000 
1 1 1    0   19   47 o  156.282   49.611   0.9617   0.4609   0.6093   0.7209   1.2054   0.5994  128.143   72.085  184.421   68.182 -0.000000 0.000000 
1 1 1    0   19   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   19   51 o  397.307   53.405   4.7401   0.9678   4.2292   1.3680   5.2520   1.3694  368.773   82.640  425.842   67.668 0.000000 0.000000 
1 1 1    0   19   53 o  530.026   48.822   8.1126   1.2511   9.1127   1.7784   7.1327   1.7604  568.293   62.830  491.759   74.745 0.000000 0.000000 
1 1 1    0   19   55 o  159.938   74.168   1.0495   0.6748   0.0000   0.0000   1.0495   0.6748  159.938   74.168  159.938   74.168 -0.000000 0.000000 
1 1 1    0   20    0 o  1101.88   70.166   31.723   3.9380   31.723   3.9380   0.0000   0.0000  1101.88   70.166  1101.88   70.166 -0.000000 0.000000 
1 1 1    0   20    2 o  1613.61   42.327   68.488   3.3237   70.522   4.1383   64.792   5.5787  1650.70   48.860  1576.52   69.131 0.000000 0.000000 
1 1 1    0   20    4 o  1915.12   40.756   95.406   3.8477   96.301   4.8297   93.850   6.3658  1929.76   48.750  1900.48   65.326 0.000000 0.000000 
1 1 1    0   20    6 o  1233.32   46.587   39.809   2.9140   38.739   4.3504   40.679   3.9246  1216.90   70.066  1249.74   61.419 0.000000 0.000000 
1 1 1    0   20    8 o  387.988   52.069   4.2768   0.9228   4.2057   1.2313   4.3679   1.3940  386.649   68.300  389.327   78.611 -0.000000 0.000000 
1 1 1    0   20   10 o  2443.43   64.355  154.590   8.0717  154.590   8.0717   0.0000   0.0000  2443.43   64.355  2443.43   64.355 0.000000 0.000000 
1 1 1    0   20   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   20   14 o  499.787   43.612   6.7337   1.0678   6.7028   1.5909   6.7590   1.4404  497.274   65.360  502.300   57.759 0.000000 0.000000 
1 1 1    0   20   16 o  2009.45   40.042  104.529   4.1199  101.314   5.9753  107.441   5.6881  1979.46   58.832  2039.44   54.335 0.000000 0.000000 
1 1 1    0   20   18 o  2222.52   39.611  127.517   4.5175  125.345   6.2747  129.855   6.5092  2202.95   55.481  2242.09   56.550 -0.000000 0.000000 
1 1 1    0   20   20 o  1497.28   39.634   58.058   3.0406   57.476   4.3328   58.622   4.2680  1489.72   56.758  1504.83   55.335 0.000000 0.000000 
1 1 1    0   20   22 o  352.699   49.319   3.5728   0.7870   3.0623   1.0991   4.1099   1.1273  320.156   76.997  385.243   61.652 -0.000000 0.000000 
1 1 1    0   20   24 o  812.000   40.636   17.269   1.6768   17.063   2.3752   17.473   2.3674  806.985   57.936  817.015   56.996 0.000000 0.000000 
1 1 1    0   20   26 o  584.012   59.334   9.0755   1.7394   0.0000   0.0000   9.0755   1.7394  584.012   59.334  584.012   59.334 -0.000000 0.000000 
1 1 1    0   20   28 f  1058.38   40.535   29.194   2.1907   29.676   3.1066   28.716   3.0898  1067.25   56.989  1049.52   57.661 0.000000 0.000000 
1 1 1    0   20   30 o  435.353   46.001   5.2455   0.9488   5.8643   1.3405   4.6242   1.3431  465.521   58.518  405.186   70.993 0.000000 0.000000 
1 1 1    0   20   32 o  1254.64   41.038   41.113   2.6285   44.265   3.7273   37.994   3.7072  1303.52   55.851  1205.77   60.143 0.000000 0.000000 
1 1 1    0   20   34 o  125.926   47.153   0.5934   0.4164   0.4614   0.6189   0.7025   0.5628  116.488   66.283  135.365   67.083 0.000000 0.000000 
1 1 1    0   20   36 o  613.570   43.409   10.103   1.3377   10.311   1.8961   9.8967   1.8874  620.287   60.798  606.853   61.975 -0.000000 0.000000 
1 1 1    0   20   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   20   40 o   96.998   38.154   0.2883   0.3093   0.0000   0.4597   0.5266   0.4181   77.105   49.777  116.892   57.836 -0.000000 0.000000 
1 1 1    0   20   42 f  335.964   54.086   3.4418   0.8073   2.7452   1.1302   4.1677   1.1537  288.784   87.270  383.143   63.914 0.000000 0.000000 
1 1 1    0   20   44 o   96.953   39.682   0.2086   0.3232   0.5717   0.5351   0.0000   0.4056  121.630   64.172   72.276   46.695 0.000000 0.000000 
1 1 1    0   20   46 o  846.187   45.369   19.602   1.8827   14.311   2.6169   25.279   2.7106  718.678   72.518  973.695   54.539 0.000000 0.000000 
1 1 1    0   20   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   20   50 o  607.809   52.903   10.702   1.4418   14.605   2.0784   7.0810   2.0018  733.122   55.888  482.495   89.842 -0.000000 0.000000 
1 1 1    0   20   52 o   75.536   34.655   0.0000   0.3205   0.0000   0.4517   0.0000   0.4548   75.412   48.927   75.660   49.091 0.000000 0.000000 
1 1 1    0   20   54 o  356.655   54.895   3.9815   0.8814   4.1712   1.2747   3.8077   1.2202  366.189   76.884  347.122   78.376 -0.000000 0.000000 
1 1 1    0   21    1 o  114.011   39.902   0.4814   0.3297   0.0000   0.5800   0.7112   0.4007   87.091   56.107  140.931   56.751 -0.000000 0.000000 
1 1 1    0   21    3 o  1583.87   41.203   64.411   3.2234   62.660   4.0262   67.538   5.3795  1555.86   50.453  1611.88   65.156 0.000000 0.000000 
1 1 1    0   21    5 o  1163.00   47.732   35.269   2.8228   36.192   4.1855   34.499   3.8232  1176.42   69.763  1149.57   65.166 0.000000 0.000000 
1 1 1    0   21    7 o  511.963   50.086   7.1871   1.2287   6.8741   1.8426   7.4378   1.6489  498.426   77.482  525.501   63.490 0.000000 0.000000 
1 1 1    0   21    9 o  1200.15   66.817   37.555   4.0936   37.555   4.0936   0.0000   0.0000  1200.15   66.817  1200.15   66.817 0.000000 0.000000 
1 1 1    0   21   11 o  1260.15   56.499   41.199   3.6437   0.0000   0.0000   41.199   3.6437  1260.15   56.499  1260.15   56.499 0.000000 0.000000 
1 1 1    0   21   13 o  1664.88   41.183   71.256   3.4985   67.025   4.6779   76.625   5.2701  1609.28   56.699  1720.47   59.743 -0.000000 0.000000 
1 1 1    0   21   15 o  786.122   41.565   16.151   1.6525   16.761   2.4596   15.650   2.2309  799.327   60.655  772.918   56.849 0.000000 0.000000 
1 1 1    0   21   17 f  4176.25   58.077  450.018   12.464   0.0000   0.0000  450.018   12.464  4176.25   58.077  4176.25   58.077 -0.000000 0.000000 
1 1 1    0   21   19 o  132.740   46.260   0.6386   0.3803   0.4780   0.5004   0.8582   0.5851  114.239   61.512  151.242   69.112 -0.000000 0.000000 
1 1 1    0   21   21 o  267.053   52.944   2.2332   0.6296   2.0925   0.9125   2.3611   0.8698  254.208   79.574  279.898   69.860 0.000000 0.000000 
1 1 1    0   21   23 o  368.834   50.658   3.9810   0.8251   4.8240   1.1456   3.0726   1.1893  421.958   55.465  315.710   84.786 -0.000000 0.000000 
1 1 1    0   21   25 f  728.680   58.430   13.971   2.1566   0.0000   0.0000   13.971   2.1566  728.680   58.430  728.680   58.430 -0.000000 0.000000 
1 1 1    0   21   27 o  2064.60   56.521  110.363   5.9894   0.0000   0.0000  110.363   5.9894  2064.60   56.521  2064.60   56.521 0.000000 0.000000 
1 1 1    0   21   29 o  2578.48   40.189  172.330   5.3126  185.074   7.5497  159.829   7.4771  2673.74   54.973  2483.22   58.640 0.000000 0.000000 
1 1 1    0   21   31 o  835.446   41.245   18.350   1.7515   17.908   2.4640   18.801   2.4901  824.994   58.777  845.898   57.880 0.000000 0.000000 
1 1 1    0   21   33 o  1089.78   41.353   31.122   2.3004   29.983   3.2530   32.262   3.2536  1069.25   59.597  1110.30   57.347 -0.000000 0.000000 
1 1 1    0   21   35 o  953.006   42.007   23.976   2.0314   26.379   2.8797   21.595   2.8661  1002.35   56.286  903.660   62.372 0.000000 0.000000 
1 1 1    0   21   37 o  677.776   59.767   12.273   2.0454   12.273   2.0454   0.0000   0.0000  677.776   59.767  677.776   59.767 0.000000 0.000000 
1 1 1    0   21   39 o  129.855   42.523   0.5613   0.3905   1.0608   0.5369   0.0000   0.5691  174.061   64.589   85.649   55.326 -0.000000 0.000000 
1 1 1    0   21   41 o  285.866   54.855   2.6036   0.7009   2.9962   0.9877   2.2054   0.9948  317.527   69.037  254.205   85.266 0.000000 0.000000 
1 1 1    0   21   43 o  278.020   57.811   2.5524   0.7330   3.1196   1.0456   2.0042   1.0280  321.842   72.410  234.198   90.141 0.000000 0.000000 
1 1 1    0   21   45 o  232.941   57.779   1.8950   0.6441   1.4882   0.8821   2.3599   0.9428  196.650   84.843  269.232   78.455 -0.000000 0.000000 
1 1 1    0   21   47 o  249.014   83.504   2.1456   0.9542   2.1456   0.9542   0.0000   0.0000  249.014   83.504  249.014   83.504 0.000000 0.000000 
1 1 1    0   21   49 o  792.396   44.972   17.234   1.8034   18.138   2.5780   16.368   2.5237  813.972   62.449  770.819   64.731 0.000000 0.000000 
1 1 1    0   21   51 o  195.485   58.239   1.4827   0.5921   1.3234   0.8120   1.6635   0.8652  181.725   81.476  209.245   83.240 0.000000 0.000000 
1 1 1    0   21   53 o  202.657   53.636   1.5466   0.5661   2.0577   0.7996   1.0330   0.8016  249.003   71.995  156.312   79.523 0.000000 0.000000 
1 1 1    0   21   55 o  560.774   48.972   9.2354   1.3528   8.8903   1.8988   9.5911   1.9279  548.601   70.522  572.948   67.967 -0.000000 0.000000 
1 1 1    0   22    0 f  2245.35   69.217  130.362   7.9732   0.0000   0.0000  130.362   7.9732  2245.35   69.217  2245.35   69.217 0.000000 0.000000 
1 1 1    0   22    2 o  703.865   42.668   12.951   1.4571   12.652   1.8156   13.492   2.4426  694.784   51.477  712.947   68.063 0.000000 0.000000 
1 1 1    0   22    4 o  246.554   51.397   1.8154   0.5623   1.3798   0.7047   2.5793   0.9332  199.691   73.960  293.417   71.390 0.000000 0.000000 
1 1 1    0   22    6 f  679.590   73.304   12.349   2.4858   12.349   2.4858   0.0000   0.0000  679.590   73.304  679.590   73.304 0.000000 0.000000 
1 1 1    0   22    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   22   10 o  1184.37   57.642   36.431   3.4910   36.431   3.4910   0.0000   0.0000  1184.37   57.642  1184.37   57.642 -0.000000 0.000000 
1 1 1    0   22   12 o  116.036   44.246   0.4604   0.4064   0.0000   0.6833   0.7125   0.5056   94.601   60.928  137.471   64.176 0.000000 0.000000 
1 1 1    0   22   14 o  800.719   42.874   16.452   1.7027   12.499   2.2455   21.800   2.6117  686.965   64.908  914.473   56.031 -0.000000 0.000000 
1 1 1    0   22   16 o  963.821   41.177   24.086   2.0178   22.332   2.7366   26.176   2.9870  925.199   58.055  1002.44   58.410 -0.000000 0.000000 
1 1 1    0   22   18 o  255.434   53.823   2.1178   0.6219   1.7826   0.9230   2.3964   0.8416  226.297   84.932  284.571   66.138 0.000000 0.000000 
1 1 1    0   22   20 o  292.532   54.543   2.6140   0.7076   2.5159   0.9675   2.7268   1.0377  286.364   76.054  298.700   78.202 -0.000000 0.000000 
1 1 1    0   22   22 o  855.363   40.887   19.108   1.7763   17.720   2.4630   20.613   2.5642  822.306   58.956  888.420   56.668 -0.000000 0.000000 
1 1 1    0   22   24 o  1255.68   57.253   40.959   3.6786   0.0000   0.0000   40.959   3.6786  1255.68   57.253  1255.68   57.253 -0.000000 0.000000 
1 1 1    0   22   26 o  1399.54   56.587   50.845   4.0566   0.0000   0.0000   50.845   4.0566  1399.54   56.587  1399.54   56.587 0.000000 0.000000 
1 1 1    0   22   28 o  860.479   41.048   19.411   1.7969   19.439   2.5556   19.384   2.5270  861.013   58.346  859.945   57.753 0.000000 0.000000 
1 1 1    0   22   30 o  1849.21   40.467   88.870   3.8377   91.656   5.4349   86.100   5.4197  1878.49   56.390  1819.93   58.057 0.000000 0.000000 
1 1 1    0   22   32 f  1233.70   40.897   39.774   2.5809   39.294   3.6343   40.262   3.6658  1226.11   57.949  1241.30   57.726 -0.000000 0.000000 
1 1 1    0   22   34 o  871.492   42.929   20.177   1.8722   24.276   2.6791   16.264   2.6174  961.971   54.572  781.013   66.283 0.000000 0.000000 
1 1 1    0   22   36 o  167.028   47.582   1.0003   0.4556   0.5024   0.6464   1.4916   0.6421  120.076   67.972  213.981   66.604 -0.000000 0.000000 
1 1 1    0   22   38 o  477.769   64.537   6.3030   1.5038   6.3030   1.5038   0.0000   0.0000  477.769   64.537  477.769   64.537 -0.000000 0.000000 
1 1 1    0   22   40 o  1103.88   42.234   32.370   2.3751   34.919   3.3683   29.849   3.3496  1148.85   57.352  1058.92   62.013 0.000000 0.000000 
1 1 1    0   22   42 o  388.385   50.433   4.3626   0.9035   3.9797   1.2443   4.7897   1.3140  367.021   74.492  409.749   68.008 -0.000000 0.000000 
1 1 1    0   22   44 o  792.138   43.950   16.992   1.7506   14.649   2.4439   19.461   2.5087  732.461   66.138  851.815   57.898 0.000000 0.000000 
1 1 1    0   22   46 o  824.597   43.881   18.460   1.8313   17.046   2.5804   19.895   2.5995  790.564   64.473  858.631   59.543 0.000000 0.000000 
1 1 1    0   22   48 o  204.401   83.615   1.5880   0.8659   0.0000   0.0000   1.5880   0.8659  204.401   83.615  204.401   83.615 0.000000 0.000000 
1 1 1    0   22   50 o  368.162   52.896   4.1032   0.8856   4.2802   1.2641   3.9327   1.2410  378.067   72.838  358.257   76.725 -0.000000 0.000000 
1 1 1    0   22   52 o  683.006   47.199   13.260   1.5943   15.342   2.2631   11.208   2.2464  743.467   60.110  622.544   72.786 -0.000000 0.000000 
1 1 1    0   22   54 o  442.262   54.038   5.9459   1.1102   6.6829   1.6160   5.2871   1.5278  473.962   71.016  410.562   81.469 0.000000 0.000000 
1 1 1    0   23    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   23    3 o  516.782   81.029   7.3930   1.9949   0.0000   0.0000   7.3930   1.9949  516.782   81.029  516.782   81.029 -0.000000 0.000000 
1 1 1    0   23    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   23    7 o  1890.55   61.677   92.512   5.9804   92.512   5.9804   0.0000   0.0000  1890.55   61.677  1890.55   61.677 -0.000000 0.000000 
1 1 1    0   23    9 o  1009.32   45.582   26.460   2.3211   25.584   3.0578   27.651   3.5655  990.425   60.570  1028.22   68.134 -0.000000 0.000000 
1 1 1    0   23   11 o  1067.09   44.017   29.282   2.3748   26.910   3.1159   32.571   3.6683  1016.17   60.122  1118.01   64.306 -0.000000 0.000000 
1 1 1    0   23   13 o  2096.61   42.334  113.359   4.5127  111.565   5.9675  115.754   6.8968  2078.00   55.948  2115.21   63.549 -0.000000 0.000000 
1 1 1    0   23   15 o  328.874   53.141   3.1303   0.7714   1.8344   1.0009   5.0265   1.2108  227.305   89.319  430.443   57.604 -0.000000 0.000000 
1 1 1    0   23   17 o  1945.22   41.223   98.405   4.0854  103.578   5.5565   92.318   6.0276  2002.16   54.070  1888.29   62.241 -0.000000 0.000000 
1 1 1    0   23   19 o  376.806   49.966   4.0290   0.8587   4.0348   1.1409   4.0213   1.3043  380.521   63.676  373.090   77.017 -0.000000 0.000000 
1 1 1    0   23   21 o  156.450   52.034   0.8939   0.4727   1.1532   0.7278   0.7046   0.6217  176.430   77.101  136.469   69.896 0.000000 0.000000 
1 1 1    0   23   23 o  1121.90   58.167   32.761   3.3344   32.761   3.3344   0.0000   0.0000  1121.90   58.167  1121.90   58.167 0.000000 0.000000 
1 1 1    0   23   25 o  1557.62   56.747   62.926   4.5307   0.0000   0.0000   62.926   4.5307  1557.62   56.747  1557.62   56.747 0.000000 0.000000 
1 1 1    0   23   27 o  1135.55   40.833   33.610   2.3698   33.706   3.3636   33.515   3.3392  1137.14   57.876  1133.96   57.616 0.000000 0.000000 
1 1 1    0   23   29 o  1002.89   41.307   26.321   2.1130   26.678   3.0159   25.977   2.9615  1009.58   58.554  996.189   58.279 0.000000 0.000000 
1 1 1    0   23   31 o  192.704   55.668   1.3402   0.5499   1.5845   0.8030   1.1245   0.7547  213.173   78.949  172.236   78.502 0.000000 0.000000 
1 1 1    0   23   33 o  1076.15   42.023   30.463   2.2884   35.541   3.2883   25.695   3.1866  1165.59   55.154  986.704   63.416 0.000000 0.000000 
1 1 1    0   23   35 o  159.913   44.847   0.9032   0.4439   0.2478   0.6476   1.4841   0.6097  103.986   63.594  215.840   63.252 -0.000000 0.000000 
1 1 1    0   23   37 o   93.114   54.929   0.2599   0.4498   0.2599   0.4498   0.0000   0.0000   93.114   54.929   93.114   54.929 -0.000000 0.000000 
1 1 1    0   23   39 o  655.153   44.225   11.610   1.4547   10.754   2.0492   12.480   2.0653  628.914   64.964  681.391   60.027 0.000000 0.000000 
1 1 1    0   23   41 o  124.722   45.541   0.5677   0.4014   0.2803   0.5714   0.8477   0.5640  100.968   60.761  148.475   67.853 0.000000 0.000000 
1 1 1    0   23   43 o  711.543   43.624   13.721   1.5672   14.354   2.2390   13.114   2.1944  728.492   60.752  694.595   62.620 -0.000000 0.000000 
1 1 1    0   23   45 o  1002.85   43.375   27.096   2.2131   25.189   3.1077   29.058   3.1525  965.236   63.246  1040.47   59.375 -0.000000 0.000000 
1 1 1    0   23   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   23   49 o  120.927   43.814   0.4517   0.3993   0.0000   0.5443   0.9782   0.5875   82.687   53.669  159.168   69.269 0.000000 0.000000 
1 1 1    0   23   51 f   70.614   32.385   0.0000   0.2779   0.0000   0.3729   0.0000   0.4169   68.726   44.539   72.502   47.025 -0.000000 0.000000 
1 1 1    0   23   53 o  497.299   51.224   7.3256   1.2271   7.6909   1.7662   6.9848   1.7060  510.773   71.218  483.825   73.645 0.000000 0.000000 
1 1 1    0   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   24    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   24    4 o  1966.32   66.055  100.139   6.6607   0.0000   0.0000  100.139   6.6607  1966.32   66.055  1966.32   66.055 0.000000 0.000000 
1 1 1    0   24    6 o  3650.70   63.093  344.187   11.834  344.187   11.834   0.0000   0.0000  3650.70   63.093  3650.70   63.093 -0.000000 0.000000 
1 1 1    0   24    8 o  135.079   73.027   0.6668   0.7080   0.6668   0.7080   0.0000   0.0000  135.079   73.027  135.079   73.027 -0.000000 0.000000 
1 1 1    0   24   10 o  855.117   47.516   19.476   2.0128   17.802   3.0998   20.697   2.6467  820.023   74.965  890.210   58.406 0.000000 0.000000 
1 1 1    0   24   12 o  438.655   51.475   5.3235   1.0434   5.1855   1.3480   5.5299   1.6480  434.738   64.481  442.573   80.256 -0.000000 0.000000 
1 1 1    0   24   14 o  2686.61   42.402  186.581   5.7900  185.724   8.8323  187.227   7.6674  2680.21   64.180  2693.01   55.431 0.000000 0.000000 
1 1 1    0   24   16 o  1495.67   42.059   58.104   3.1954   57.069   4.8171   58.916   4.2702  1482.84   63.450  1508.49   55.227 0.000000 0.000000 
1 1 1    0   24   18 f  368.790   52.820   4.0229   0.8576   3.2021   1.2629   4.7254   1.1683  321.033   88.480  416.546   57.717 0.000000 0.000000 
1 1 1    0   24   20 o  955.946   41.563   23.680   2.0140   27.290   2.9825   20.655   2.7306  1023.57   57.080  888.319   60.431 0.000000 0.000000 
1 1 1    0   24   22 o  1157.69   59.700   34.893   3.5318   0.0000   0.0000   34.893   3.5318  1157.69   59.700  1157.69   59.700 -0.000000 0.000000 
1 1 1    0   24   24 o  143.591   66.596   0.7781   0.5441   0.0000   0.0000   0.7781   0.5441  143.591   66.596  143.591   66.596 0.000000 0.000000 
1 1 1    0   24   26 o  892.645   41.267   20.861   1.8717   22.576   2.6858   19.241   2.6098  929.211   56.703  856.078   59.972 0.000000 0.000000 
1 1 1    0   24   28 o  190.105   53.511   1.3086   0.5445   1.7136   0.7563   0.8729   0.7845  228.843   72.969  151.366   78.289 -0.000000 0.000000 
1 1 1    0   24   30 o  896.836   41.572   21.144   1.8977   20.758   2.6633   21.543   2.7047  888.381   58.904  905.291   58.677 -0.000000 0.000000 
1 1 1    0   24   32 o  249.327   47.907   2.0436   0.6348   3.5354   0.9223   0.7006   0.8751  357.798   53.707  140.855   79.346 0.000000 0.000000 
1 1 1    0   24   34 o  139.841   50.346   0.7253   0.4689   0.4888   0.6478   0.9855   0.6795  119.223   67.824  160.459   74.423 -0.000000 0.000000 
1 1 1    0   24   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   24   38 o   98.762   40.338   0.2565   0.3503   0.0000   0.4853   0.5354   0.5060   79.142   51.111  118.382   62.421 -0.000000 0.000000 
1 1 1    0   24   40 o  1099.92   42.419   32.252   2.3741   29.256   3.3467   35.288   3.3685  1046.23   62.735  1153.61   57.113 0.000000 0.000000 
1 1 1    0   24   42 f  209.880   56.915   1.6046   0.5859   1.4483   0.8470   1.7480   0.8112  195.032   83.050  224.727   77.845 0.000000 0.000000 
1 1 1    0   24   44 o  514.097   46.062   7.3666   1.1562   8.1451   1.6592   6.6318   1.6120  543.729   61.366  484.464   68.709 -0.000000 0.000000 
1 1 1    0   24   46 o  656.195   64.805   11.885   2.1374   11.885   2.1374   0.0000   0.0000  656.195   64.805  656.195   64.805 0.000000 0.000000 
1 1 1    0   24   48 o   72.028   33.001   0.0000   0.2864   0.0000   0.4386   0.0000   0.3781   74.613   48.335   69.443   44.945 0.000000 0.000000 
1 1 1    0   24   50 o   85.275   37.191   0.1255   0.3108   0.0000   0.3926   0.3360   0.5084   70.509   45.698  100.041   58.690 -0.000000 0.000000 
1 1 1    0   24   52 o  612.700   46.729   10.736   1.4213   9.6910   1.9891   11.827   2.0317  578.191   69.583  647.209   62.390 -0.000000 0.000000 
1 1 1    0   25    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   25    3 o  407.478   57.353   4.5265   1.1331   0.0000   0.0000   4.5265   1.1331  407.478   57.353  407.478   57.353 -0.000000 0.000000 
1 1 1    0   25    5 f  3630.24   70.366  340.703   13.122   0.0000   0.0000  340.703   13.122  3630.24   70.366  3630.24   70.366 -0.000000 0.000000 
1 1 1    0   25    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   25    9 o  1196.29   60.222   37.191   3.6825   0.0000   0.0000   37.191   3.6825  1196.29   60.222  1196.29   60.222 0.000000 0.000000 
1 1 1    0   25   11 o  998.043   58.585   25.953   2.9824   0.0000   0.0000   25.953   2.9824  998.043   58.585  998.043   58.585 0.000000 0.000000 
1 1 1    0   25   13 o  1351.09   56.834   47.326   3.9320   0.0000   0.0000   47.326   3.9320  1351.09   56.834  1351.09   56.834 0.000000 0.000000 
1 1 1    0   25   15 o  861.034   56.511   19.367   2.4769   19.367   2.4769   0.0000   0.0000  861.034   56.511  861.034   56.511 -0.000000 0.000000 
1 1 1    0   25   17 o  126.208   48.612   0.4835   0.4083   0.8586   0.7763   0.3400   0.4801  150.747   77.902  101.670   58.170 0.000000 0.000000 
1 1 1    0   25   19 o  2779.53   41.295  199.608   5.8721  200.884   8.7112  198.545   7.9497  2787.01   60.861  2772.04   55.832 0.000000 0.000000 
1 1 1    0   25   21 o  980.695   61.628   25.145   3.0792   25.145   3.0792   0.0000   0.0000  980.695   61.628  980.695   61.628 0.000000 0.000000 
1 1 1    0   25   23 o  1111.44   56.871   32.164   3.2303   0.0000   0.0000   32.164   3.2303  1111.44   56.871  1111.44   56.871 0.000000 0.000000 
1 1 1    0   25   25 o  126.331   44.539   0.6044   0.3873   0.2180   0.6540   0.8131   0.4806  103.262   63.505  149.399   62.466 0.000000 0.000000 
1 1 1    0   25   27 o  810.145   42.628   17.395   1.7388   15.296   2.4817   19.420   2.4371  759.583   64.625  860.706   55.607 0.000000 0.000000 
1 1 1    0   25   29 o  405.510   48.298   4.6284   0.9170   4.9023   1.2869   4.3460   1.3070  420.765   63.845  390.256   72.489 -0.000000 0.000000 
1 1 1    0   25   31 o  424.938   47.787   5.0468   0.9638   4.9772   1.3822   5.1126   1.3446  420.886   69.601  428.990   65.497 0.000000 0.000000 
1 1 1    0   25   33 o  582.871   43.713   9.1610   1.2736   9.2051   1.7776   9.1146   1.8256  584.870   60.607  580.873   63.009 -0.000000 0.000000 
1 1 1    0   25   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   25   37 o  567.675   44.742   8.7779   1.2637   8.4924   1.7708   9.0744   1.8040  557.617   63.945  577.732   62.599 -0.000000 0.000000 
1 1 1    0   25   39 o  162.629   50.011   0.9975   0.4818   0.5550   0.7040   1.3873   0.6609  124.812   70.823  200.446   70.629 0.000000 0.000000 
1 1 1    0   25   41 o  658.798   45.964   11.923   1.4849   9.5337   2.0752   14.430   2.1256  584.687   71.956  732.909   57.212 -0.000000 0.000000 
1 1 1    0   25   43 o  472.061   48.108   6.3064   1.0927   5.9956   1.5628   6.6037   1.5283  457.902   71.606  486.220   64.266 0.000000 0.000000 
1 1 1    0   25   45 o  421.526   49.194   5.1295   0.9775   5.2781   1.3736   4.9771   1.3913  429.660   67.050  413.392   72.004 -0.000000 0.000000 
1 1 1    0   25   47 f  353.634   54.776   3.8519   0.8646   4.4930   1.2332   3.2320   1.2126  393.307   66.763  313.961   86.859 -0.000000 0.000000 
1 1 1    0   25   49 o  115.283   44.524   0.5047   0.3864   0.6629   0.5369   0.3348   0.5564  128.318   65.126  102.249   60.730 -0.000000 0.000000 
1 1 1    0   25   51 o  136.486   46.640   0.7559   0.4267   1.0297   0.5512   0.3466   0.6740  165.396   66.553  107.577   65.359 -0.000000 0.000000 
1 1 1    0   25   53 o  130.649   49.004   0.7138   0.4412   0.7093   0.6722   0.7171   0.5847  130.314   70.935  130.983   67.630 -0.000000 0.000000 
1 1 1    0   26    0 o  793.780   72.902   16.642   2.9175   16.642   2.9175   0.0000   0.0000  793.780   72.902  793.780   72.902 -0.000000 0.000000 
1 1 1    0   26    2 o  1279.43   42.298   41.923   2.6567   40.534   3.2961   44.499   4.4884  1251.02   51.444  1307.84   67.156 0.000000 0.000000 
1 1 1    0   26    4 o  1405.01   51.108   51.070   3.6807   51.070   3.6807   0.0000   0.0000  1405.01   51.108  1405.01   51.108 0.000000 0.000000 
1 1 1    0   26    6 o  1904.14   50.417   93.624   4.9278   93.624   4.9278   0.0000   0.0000  1904.14   50.417  1904.14   50.417 0.000000 0.000000 
1 1 1    0   26    8 o  916.756   73.144   22.123   3.3970   22.123   3.3970   0.0000   0.0000  916.756   73.144  916.756   73.144 0.000000 0.000000 
1 1 1    0   26   10 o   84.635   54.504   0.0000   0.5466   0.0000   0.0000   0.0000   0.5466   84.635   54.504   84.635   54.504 -0.000000 0.000000 
1 1 1    0   26   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   26   14 o  1080.91   56.905   30.390   3.1424   0.0000   0.0000   30.390   3.1424  1080.91   56.905  1080.91   56.905 0.000000 0.000000 
1 1 1    0   26   16 o  1593.28   55.913   65.740   4.5673   65.740   4.5673   0.0000   0.0000  1593.28   55.913  1593.28   55.913 -0.000000 0.000000 
1 1 1    0   26   18 o  466.334   60.436   5.8898   1.3819   0.0000   0.0000   5.8898   1.3819  466.334   60.436  466.334   60.436 0.000000 0.000000 
1 1 1    0   26   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   26   22 o  1185.90   56.553   36.581   3.4302   0.0000   0.0000   36.581   3.4302  1185.90   56.553  1185.90   56.553 0.000000 0.000000 
1 1 1    0   26   24 o  137.161   47.006   0.7003   0.4401   1.0124   0.5664   0.2250   0.6990  168.042   67.438  106.280   65.500 -0.000000 0.000000 
1 1 1    0   26   26 o  727.621   42.861   13.968   1.5700   12.304   2.1608   15.830   2.2850  680.065   63.045  775.177   58.083 -0.000000 0.000000 
1 1 1    0   26   28 o  1241.38   41.478   40.263   2.6326   39.770   3.6606   40.790   3.7888  1233.69   58.006  1249.06   59.304 -0.000000 0.000000 
1 1 1    0   26   30 f  473.941   46.955   6.2150   1.0578   5.2725   1.4884   7.1767   1.5035  432.149   73.333  515.734   58.664 0.000000 0.000000 
1 1 1    0   26   32 o   98.955   39.907   0.3083   0.3387   0.0000   0.5642   0.4822   0.4236   85.503   55.178  112.407   57.668 0.000000 0.000000 
1 1 1    0   26   34 o  584.288   62.871   9.2437   1.8333   9.2437   1.8333   0.0000   0.0000  584.288   62.871  584.288   62.871 0.000000 0.000000 
1 1 1    0   26   36 o  586.466   46.559   9.4224   1.3161   7.3382   1.8218   11.697   1.9032  511.870   73.657  661.063   56.971 -0.000000 0.000000 
1 1 1    0   26   38 o  347.305   57.658   3.6607   0.8915   4.4296   1.3210   3.0176   1.2081  390.305   73.427  304.304   88.917 0.000000 0.000000 
1 1 1    0   26   40 o   89.330   39.603   0.0985   0.3571   0.2880   0.6106   0.0000   0.4403  103.411   62.521   75.249   48.629 0.000000 0.000000 
1 1 1    0   26   42 o   96.993   40.202   0.2981   0.3243   0.2988   0.5565   0.2978   0.3991  101.028   60.383   92.957   53.093 0.000000 0.000000 
1 1 1    0   26   44 o  101.066   40.512   0.2718   0.3451   0.6203   0.5213   0.0000   0.4604  125.475   64.063   76.657   49.607 0.000000 0.000000 
1 1 1    0   26   46 f   62.649   40.493   0.0000   0.3054   0.0000   0.3054   0.0000   0.0000   62.649   40.493   62.649   40.493 -0.000000 0.000000 
1 1 1    0   26   48 o  479.184   54.858   6.8897   1.1369   9.3288   1.6369   4.6166   1.5802  582.016   55.886  376.352   94.416 0.000000 0.000000 
1 1 1    0   26   50 o  101.679   42.542   0.3423   0.3820   0.3402   0.5146   0.3449   0.5702  100.304   58.950  103.054   61.352 -0.000000 0.000000 
1 1 1    0   26   52 o  130.988   49.802   0.7108   0.4574   0.7039   0.7359   0.7152   0.5840  130.870   73.140  131.107   67.613 -0.000000 0.000000 
1 1 1    0   27    1 o  539.932   55.917   8.0032   1.4537   8.0757   2.0314   7.9271   2.0814  543.374   77.221  536.491   80.894 -0.000000 0.000000 
1 1 1    0   27    3 o  2188.32   42.279  123.403   4.5616  122.373   5.6972  125.243   7.6140  2177.31   50.957  2199.33   67.480 0.000000 0.000000 
1 1 1    0   27    5 f  322.392   55.717   3.2204   0.7759   3.5201   0.9937   2.7523   1.2419  355.637   59.306  289.147   94.341 0.000000 0.000000 
1 1 1    0   27    7 f  2013.94   47.777  104.624   4.8993  108.911   7.4437  101.348   6.5076  2049.50   70.835  1978.38   64.133 0.000000 0.000000 
1 1 1    0   27    9 o  1275.45   46.978   42.285   3.0243   42.763   4.6619   41.938   3.9740  1280.49   71.319  1270.41   61.166 0.000000 0.000000 
1 1 1    0   27   11 o  266.363  103.736   2.5164   1.3549   2.5164   1.3549   0.0000   0.0000  266.363  103.736  266.363  103.736 0.000000 0.000000 
1 1 1    0   27   13 o  2717.22   67.954  191.162   9.4797  191.162   9.4797   0.0000   0.0000  2717.22   67.954  2717.22   67.954 0.000000 0.000000 
1 1 1    0   27   15 o  1735.96   67.204   78.245   5.9775   0.0000   0.0000   78.245   5.9775  1735.96   67.204  1735.96   67.204 -0.000000 0.000000 
1 1 1    0   27   17 o  1627.62   65.407   68.814   5.4532   68.814   5.4532   0.0000   0.0000  1627.62   65.407  1627.62   65.407 0.000000 0.000000 
1 1 1    0   27   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   27   21 o  1672.85   56.396   72.561   4.8379   72.561   4.8379   0.0000   0.0000  1672.85   56.396  1672.85   56.396 -0.000000 0.000000 
1 1 1    0   27   23 f  983.252   57.304   25.269   2.8743   0.0000   0.0000   25.269   2.8743  983.252   57.304  983.252   57.304 0.000000 0.000000 
1 1 1    0   27   25 o  721.057   58.247   13.735   2.1269   13.735   2.1269   0.0000   0.0000  721.057   58.247  721.057   58.247 -0.000000 0.000000 
1 1 1    0   27   27 o  701.334   59.314   13.042   2.1035   0.0000   0.0000   13.042   2.1035  701.334   59.314  701.334   59.314 0.000000 0.000000 
1 1 1    0   27   29 o  960.549   57.952   24.255   2.8381   24.255   2.8381   0.0000   0.0000  960.549   57.952  960.549   57.952 -0.000000 0.000000 
1 1 1    0   27   31 o  118.967   44.033   0.5047   0.3776   0.7529   0.5257   0.2402   0.5428  140.510   65.448   97.424   58.924 0.000000 0.000000 
1 1 1    0   27   33 f  493.926   66.323   6.7285   1.5989   0.0000   0.0000   6.7285   1.5989  493.926   66.323  493.926   66.323 -0.000000 0.000000 
1 1 1    0   27   35 o  319.377   78.007   3.1191   1.1096   3.1191   1.1096   0.0000   0.0000  319.377   78.007  319.377   78.007 -0.000000 0.000000 
1 1 1    0   27   37 o  881.982   43.341   20.792   1.9366   18.703   2.6954   23.022   2.7844  834.234   63.698  929.730   58.790 -0.000000 0.000000 
1 1 1    0   27   39 o  141.202   50.674   0.7349   0.5074   0.2870   0.7394   1.1334   0.6975  110.118   67.629  172.286   75.483 0.000000 0.000000 
1 1 1    0   27   41 o  745.788   45.203   15.107   1.7018   16.109   2.4556   14.181   2.3605  770.640   62.945  720.935   64.894 0.000000 0.000000 
1 1 1    0   27   43 o  507.181   53.596   7.3573   1.2211   9.9107   1.8081   5.2160   1.6558  601.747   59.798  412.615   88.962 0.000000 0.000000 
1 1 1    0   27   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   27   47 f  758.712   64.181   15.953   2.4623   15.953   2.4623   0.0000   0.0000  758.712   64.181  758.712   64.181 0.000000 0.000000 
1 1 1    0   27   49 o  282.456   60.254   2.7308   0.7629   2.7531   1.0887   2.7093   1.0695  283.382   85.667  281.530   84.754 0.000000 0.000000 
1 1 1    0   27   51 f  103.993   41.021   0.3105   0.3525   0.7122   0.5339   0.0000   0.4694  131.701   65.324   76.285   49.635 0.000000 0.000000 
1 1 1    0   28    0 o  3029.04   70.302  236.838   10.935   0.0000   0.0000  236.838   10.935  3029.04   70.302  3029.04   70.302 0.000000 0.000000 
1 1 1    0   28    2 o  227.457   57.247   1.7851   0.6055   1.6427   1.0167   1.8634   0.7538  210.915   91.096  243.999   69.356 -0.000000 0.000000 
1 1 1    0   28    4 o  1432.06   42.079   52.588   2.9910   55.573   4.9304   50.850   3.7624  1462.60   65.871  1401.53   52.380 -0.000000 0.000000 
1 1 1    0   28    6 o  527.774   44.513   7.3593   1.1361   6.9126   1.4439   8.0852   1.8407  508.355   57.095  547.193   68.306 0.000000 0.000000 
1 1 1    0   28    8 o  231.216   63.563   1.8370   0.7322   2.4076   1.1251   1.4179   0.9643  268.351   91.041  194.082   88.727 0.000000 0.000000 
1 1 1    0   28   10 o  1446.97   47.093   54.579   3.4330   53.576   5.3102   55.300   4.4998  1433.95   72.451  1459.99   60.181 0.000000 0.000000 
1 1 1    0   28   12 o  860.010   47.122   19.099   2.0206   21.348   3.2249   17.645   2.5927  900.438   70.661  819.583   62.360 0.000000 0.000000 
1 1 1    0   28   14 o  1260.82   44.542   40.525   2.8311   36.564   3.6527   46.484   4.4807  1185.34   60.294  1336.29   65.579 -0.000000 0.000000 
1 1 1    0   28   16 o  145.113   42.479   0.7812   0.4545  -0.5160   0.8594   1.2849   0.5356   88.893   60.638  201.332   59.505 0.000000 0.000000 
1 1 1    0   28   18 o  2118.61   65.029  116.461   7.0681   0.0000   0.0000  116.461   7.0681  2118.61   65.029  2118.61   65.029 -0.000000 0.000000 
1 1 1    0   28   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   28   22 o  911.826   63.884   21.867   2.9611   21.867   2.9611   0.0000   0.0000  911.826   63.884  911.826   63.884 0.000000 0.000000 
1 1 1    0   28   24 o  322.893   85.644   3.2226   1.2284   0.0000   0.0000   3.2226   1.2284  322.893   85.644  322.893   85.644 -0.000000 0.000000 
1 1 1    0   28   26 o  140.176   73.590   0.7451   0.7010   0.7451   0.7010   0.0000   0.0000  140.176   73.590  140.176   73.590 0.000000 0.000000 
1 1 1    0   28   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   28   30 o  1138.56   58.257   34.061   3.3898   34.061   3.3898   0.0000   0.0000  1138.56   58.257  1138.56   58.257 -0.000000 0.000000 
1 1 1    0   28   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   28   34 o  117.238   63.095   0.5173   0.5263   0.0000   0.0000   0.5173   0.5263  117.238   63.095  117.238   63.095 0.000000 0.000000 
1 1 1    0   28   36 o  119.040   64.012   0.5372   0.5413   0.0000   0.0000   0.5372   0.5413  119.040   64.012  119.040   64.012 0.000000 0.000000 
1 1 1    0   28   38 o  253.558   87.990   2.2411   1.0353   0.0000   0.0000   2.2411   1.0353  253.558   87.990  253.558   87.990 0.000000 0.000000 
1 1 1    0   28   40 o   74.550   34.286   0.0000   0.2885   0.0000   0.5346   0.0000   0.3426   82.612   53.461   66.489   42.942 0.000000 0.000000 
1 1 1    0   28   42 o  727.540   45.789   14.448   1.6649   12.182   2.2896   16.990   2.4253  663.024   68.868  792.055   60.364 -0.000000 0.000000 
1 1 1    0   28   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   28   46 o  155.808   54.000   0.9277   0.5191   1.3287   0.8153   0.6542   0.6733  182.678   81.634  128.937   70.711 0.000000 0.000000 
1 1 1    0   28   48 f  523.737   50.926   7.9846   1.2698   9.2888   1.8195   6.7462   1.7731  573.352   63.740  474.122   79.443 0.000000 0.000000 
1 1 1    0   28   50 o  144.178   44.242   0.6995   0.4411   1.4215   0.6289   0.0000   0.6190  201.434   67.919   86.922   56.714 0.000000 0.000000 
1 1 1    0   29    1 o  1927.12   50.152   96.333   4.9513  100.572   7.0833   92.282   6.9239  1968.91   70.177  1885.32   71.668 0.000000 0.000000 
1 1 1    0   29    3 o  1944.18   42.951   98.151   4.1022   98.920   5.1255   96.780   6.8426  1956.84   51.024  1931.53   69.106 0.000000 0.000000 
1 1 1    0   29    5 o  652.088   45.373   11.495   1.4118   10.566   2.3078   12.050   1.7847  626.433   74.424  677.744   51.920 -0.000000 0.000000 
1 1 1    0   29    7 o  1414.10   41.367   51.855   2.9215   51.794   3.7402   51.951   4.6789  1414.44   51.588  1413.76   64.681 0.000000 0.000000 
1 1 1    0   29    9 o  1637.43   47.823   69.898   3.9546   71.192   5.2091   68.139   6.0758  1656.99   61.337  1617.86   73.389 -0.000000 0.000000 
1 1 1    0   29   11 f  185.468   63.041   1.3046   0.6782   1.3824   0.7987   1.1037   1.2841  195.400   80.370  175.535   97.147 -0.000000 0.000000 
1 1 1    0   29   13 o  876.154   48.567   20.607   2.0836   22.034   2.6946   18.485   3.2858  918.418   57.586  833.890   78.224 -0.000000 0.000000 
1 1 1    0   29   15 o  1434.01   45.398   53.815   3.2605   55.116   4.2316   51.913   5.1150  1457.50   56.665  1410.52   70.944 -0.000000 0.000000 
1 1 1    0   29   17 o  1004.44   68.859   26.491   3.5176   26.491   3.5176   0.0000   0.0000  1004.44   68.859  1004.44   68.859 0.000000 0.000000 
1 1 1    0   29   19 o  2098.75   56.509  114.152   6.0874  114.152   6.0874   0.0000   0.0000  2098.75   56.509  2098.75   56.509 -0.000000 0.000000 
1 1 1    0   29   21 o  1394.23   43.812   51.140   3.0813   47.638   4.6717   53.837   4.0995  1349.43   67.727  1439.03   55.598 0.000000 0.000000 
1 1 1    0   29   23 f  154.316   49.868   0.6777   0.4739   1.5481   0.8025   0.2117   0.5872  209.941   79.331   98.691   60.449 0.000000 0.000000 
1 1 1    0   29   25 o  1307.08   62.868   44.759   4.2025   44.759   4.2025   0.0000   0.0000  1307.08   62.868  1307.08   62.868 0.000000 0.000000 
1 1 1    0   29   27 o  870.499   62.824   20.057   2.7780   20.057   2.7780   0.0000   0.0000  870.499   62.824  870.499   62.824 0.000000 0.000000 
1 1 1    0   29   29 o  285.886   86.530   2.6560   1.1096   2.6560   1.1096   0.0000   0.0000  285.886   86.530  285.886   86.530 0.000000 0.000000 
1 1 1    0   29   31 o  633.657   63.834   10.837   2.0312   0.0000   0.0000   10.837   2.0312  633.657   63.834  633.657   63.834 -0.000000 0.000000 
1 1 1    0   29   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   29   35 o  722.826   64.283   14.122   2.3455   14.122   2.3455   0.0000   0.0000  722.826   64.283  722.826   64.283 0.000000 0.000000 
1 1 1    0   29   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   29   39 o  676.154   62.144   12.441   2.1184   12.441   2.1184   0.0000   0.0000  676.154   62.144  676.154   62.144 -0.000000 0.000000 
1 1 1    0   29   41 o  364.077   72.066   3.9226   1.1989   3.9226   1.1989   0.0000   0.0000  364.077   72.066  364.077   72.066 -0.000000 0.000000 
1 1 1    0   29   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   29   45 o  629.060   65.097   11.053   2.0537   0.0000   0.0000   11.053   2.0537  629.060   65.097  629.060   65.097 0.000000 0.000000 
1 1 1    0   29   47 o  233.246   86.292   2.0173   0.9598   2.0173   0.9598   0.0000   0.0000  233.246   86.292  233.246   86.292 -0.000000 0.000000 
1 1 1    0   29   49 o  623.377   65.191   11.085   2.0370   0.0000   0.0000   11.085   2.0370  623.377   65.191  623.377   65.191 0.000000 0.000000 
1 1 1    0   29   51 o  284.140   86.568   2.8534   1.1044   0.0000   0.0000   2.8534   1.1044  284.140   86.568  284.140   86.568 0.000000 0.000000 
1 1 1    0   30    0 o  1176.58   71.839   36.092   4.3085   0.0000   0.0000   36.092   4.3085  1176.58   71.839  1176.58   71.839 0.000000 0.000000 
1 1 1    0   30    2 o  2774.44   42.795  197.650   5.8376  194.330   7.2447  203.797   9.8570  2743.65   51.401  2805.23   68.437 0.000000 0.000000 
1 1 1    0   30    4 o  2555.48   42.934  170.355   5.4133  174.341   6.8204  163.571   8.8987  2598.58   51.095  2512.38   69.011 0.000000 0.000000 
1 1 1    0   30    6 o  1591.85   41.617   64.720   3.3168   70.085   5.3798   61.431   4.2128  1643.31   63.896  1540.39   53.340 -0.000000 0.000000 
1 1 1    0   30    8 o  1681.72   48.643   73.394   4.1482   74.297   6.3424   72.719   5.4837  1689.54   73.330  1673.90   63.931 0.000000 0.000000 
1 1 1    0   30   10 o  1533.77   47.139   60.250   3.6605   55.318   4.7677   67.332   5.7133  1458.79   63.847  1608.76   69.369 -0.000000 0.000000 
1 1 1    0   30   12 o  637.726   48.923   10.564   1.5303   12.697   2.4617   9.2208   1.9537  689.573   71.172  585.879   67.144 0.000000 0.000000 
1 1 1    0   30   14 o  2355.92   45.248  143.400   5.3811  141.186   6.9793  146.647   8.4498  2335.25   58.212  2376.60   69.288 -0.000000 0.000000 
1 1 1    0   30   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   30   18 o  711.294   58.566   13.356   2.1083   0.0000   0.0000   13.356   2.1083  711.294   58.566  711.294   58.566 0.000000 0.000000 
1 1 1    0   30   20 o  967.743   43.733   24.121   2.1340   28.187   3.3098   21.228   2.7918  1036.79   62.615  898.692   61.071 0.000000 0.000000 
1 1 1    0   30   22 o  549.255   46.626   8.1615   1.2512   8.2365   1.9131   8.1053   1.6541  549.319   71.005  549.190   60.451 0.000000 0.000000 
1 1 1    0   30   24 o  1783.72   42.733   82.990   3.8871   82.668   5.2269   83.388   5.8142  1781.22   57.210  1786.22   63.494 -0.000000 0.000000 
1 1 1    0   30   26 o  1383.88   42.650   50.052   3.0104   51.592   4.4783   48.781   4.0661  1402.45   62.391  1365.30   58.167 0.000000 0.000000 
1 1 1    0   30   28 o  2404.86   42.192  150.829   5.1987  157.770   7.6546  144.886   7.0827  2455.43   60.719  2354.28   58.597 0.000000 0.000000 
1 1 1    0   30   30 o   75.372   34.653   0.0000   0.2873   0.0000   0.5542   0.0000   0.3359   84.631   54.643   66.113   42.633 0.000000 0.000000 
1 1 1    0   30   32 o  747.881   59.613   14.949   2.2587   0.0000   0.0000   14.949   2.2587  747.881   59.613  747.881   59.613 0.000000 0.000000 
1 1 1    0   30   34 o  366.574   82.319   4.0583   1.3542   4.0583   1.3542   0.0000   0.0000  366.574   82.319  366.574   82.319 0.000000 0.000000 
1 1 1    0   30   36 o  1065.27   62.751   30.381   3.4095   30.381   3.4095   0.0000   0.0000  1065.27   62.751  1065.27   62.751 0.000000 0.000000 
1 1 1    0   30   38 o  972.739   63.087   25.482   3.1246   25.482   3.1246   0.0000   0.0000  972.739   63.087  972.739   63.087 0.000000 0.000000 
1 1 1    0   30   40 o  549.992   67.048   8.4383   1.8207   8.4383   1.8207   0.0000   0.0000  549.992   67.048  549.992   67.048 0.000000 0.000000 
1 1 1    0   30   42 o  469.106   78.765   6.4494   1.7387   6.4494   1.7387   0.0000   0.0000  469.106   78.765  469.106   78.765 0.000000 0.000000 
1 1 1    0   30   44 o  420.359   80.738   5.3291   1.5588   5.3291   1.5588   0.0000   0.0000  420.359   80.738  420.359   80.738 0.000000 0.000000 
1 1 1    0   30   46 o  696.266   70.511   13.768   2.4647   13.768   2.4647   0.0000   0.0000  696.266   70.511  696.266   70.511 0.000000 0.000000 
1 1 1    0   30   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   30   50 f  284.220   86.464   2.8444   1.1032   0.0000   0.0000   2.8444   1.1032  284.220   86.464  284.220   86.464 0.000000 0.000000 
1 1 1    0   31    1 o  953.812   52.335   24.089   2.5131   21.388   3.5841   26.701   3.5248  898.408   79.001  1009.22   68.663 0.000000 0.000000 
1 1 1    0   31    3 o  1482.02   42.684   55.703   3.1250   52.356   3.8824   61.862   5.2666  1421.52   53.292  1542.53   66.692 0.000000 0.000000 
1 1 1    0   31    5 o  187.731   51.154   1.3292   0.5641   1.8306   0.7140   0.4961   0.9204  243.594   65.959  131.869   78.207 0.000000 0.000000 
1 1 1    0   31    7 o  480.014   47.395   6.3389   1.0628   6.5030   1.3654   6.0867   1.6930  492.740   55.736  467.289   76.673 0.000000 0.000000 
1 1 1    0   31    9 o  1725.82   48.388   77.596   4.2153   78.298   5.5268   76.620   6.5177  1736.97   62.069  1714.67   74.251 -0.000000 0.000000 
1 1 1    0   31   11 o  936.452   48.029   22.781   2.2527   21.517   2.9186   24.644   3.5430  905.546   63.404  967.358   72.161 -0.000000 0.000000 
1 1 1    0   31   13 f  554.243   79.447   8.4425   2.1289   0.0000   0.0000   8.4425   2.1289  554.243   79.447  554.243   79.447 -0.000000 0.000000 
1 1 1    0   31   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   31   17 o  261.096   59.412   2.4674   0.7649   3.0537   0.9668   1.4863   1.2507  325.855   65.019  196.338   99.456 -0.000000 0.000000 
1 1 1    0   31   19 o  879.771   45.963   20.424   2.0169   20.408   2.6237   20.447   3.1536  881.520   58.483  878.023   70.925 -0.000000 0.000000 
1 1 1    0   31   21 o  1024.03   44.502   27.621   2.2940   27.930   3.0303   27.207   3.5108  1032.70   57.482  1015.36   67.952 -0.000000 0.000000 
1 1 1    0   31   23 o  1109.65   44.975   32.721   2.5041   30.218   3.8082   34.627   3.3238  1068.88   69.987  1150.42   56.507 0.000000 0.000000 
1 1 1    0   31   25 o  223.227   51.016   1.8168   0.6541   2.7507   0.8647   0.5678   1.0000  308.837   61.301  137.617   81.565 -0.000000 0.000000 
1 1 1    0   31   27 f  162.088   48.120   1.0097   0.4908   1.4283   0.6167   0.2862   0.8107  209.349   65.340  114.826   70.660 -0.000000 0.000000 
1 1 1    0   31   29 o  738.080   44.267   14.562   1.6460   14.810   2.4401   14.354   2.2298  742.816   65.040  733.343   60.068 0.000000 0.000000 
1 1 1    0   31   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   31   33 o  1325.94   43.139   46.495   2.9215   49.940   4.2766   43.480   4.0004  1372.18   60.893  1279.70   61.121 0.000000 0.000000 
1 1 1    0   31   35 o  556.708   47.997   8.6702   1.2934   7.5850   1.8798   9.6460   1.7824  517.540   75.294  595.877   59.546 0.000000 0.000000 
1 1 1    0   31   37 o  529.231   48.330   7.9001   1.2285   7.1077   1.8141   8.5713   1.6696  498.614   76.007  559.847   59.717 0.000000 0.000000 
1 1 1    0   31   39 o  448.973   51.627   5.8142   1.0931   5.6943   1.5885   5.9220   1.5065  441.765   76.927  456.180   68.873 0.000000 0.000000 
1 1 1    0   31   41 o  194.210   47.439   1.2814   0.6078   2.4644   0.8430   0.0000   0.8773  284.236   66.353  104.185   67.815 -0.000000 0.000000 
1 1 1    0   31   43 o  104.033   62.549   0.3205   0.6044   0.0000   0.0000   0.3205   0.6044  104.033   62.549  104.033   62.549 0.000000 0.000000 
1 1 1    0   31   45 o  134.090   76.719   0.6914   0.8352   0.0000   0.0000   0.6914   0.8352  134.090   76.719  134.090   76.719 -0.000000 0.000000 
1 1 1    0   31   47 o  463.492   75.200   6.4227   1.6505   0.0000   0.0000   6.4227   1.6505  463.492   75.200  463.492   75.200 -0.000000 0.000000 
1 1 1    0   31   49 o  200.872   98.917   1.8420   1.2205   0.0000   0.0000   1.8420   1.2205  200.872   98.917  200.872   98.917 -0.000000 0.000000 
1 1 1    0   32    0 o  980.872   73.302   25.240   3.6491   25.240   3.6491   0.0000   0.0000  980.872   73.302  980.872   73.302 -0.000000 0.000000 
1 1 1    0   32    2 o  807.168   52.784   17.305   2.1461   17.391   3.0914   17.224   2.9816  808.711   75.888  805.625   73.385 0.000000 0.000000 
1 1 1    0   32    4 o  1081.35   43.747   30.412   2.3281   30.945   3.8459   30.104   2.9249  1086.71   69.487  1075.99   53.168 -0.000000 0.000000 
1 1 1    0   32    6 o  3474.65   42.318  313.419   7.3317  316.936   9.3376  307.766   11.839  3502.91   51.874  3446.38   66.875 0.000000 0.000000 
1 1 1    0   32    8 o  320.861   53.835   2.9681   0.7727   4.9801   1.2377   1.6831   0.9891  427.100   59.708  214.623   89.597 -0.000000 0.000000 
1 1 1    0   32   10 o   90.624   40.773   0.0602   0.4140   0.2243   0.4957  -0.3181   0.7527   93.923   56.558   87.324   58.745 -0.000000 0.000000 
1 1 1    0   32   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   32   14 o  802.950   60.490   16.978   2.4645   0.0000   0.0000   16.978   2.4645  802.950   60.490  802.950   60.490 0.000000 0.000000 
1 1 1    0   32   16 o  1201.11   45.540   37.257   2.7474   35.138   3.5351   40.489   4.3659  1159.75   59.649  1242.47   68.830 -0.000000 0.000000 
1 1 1    0   32   18 o  1277.69   45.273   42.536   2.9017   43.801   4.5919   41.695   3.7439  1291.43   69.622  1263.94   57.891 0.000000 0.000000 
1 1 1    0   32   20 o  664.552   46.565   11.649   1.5320   10.858   1.9767   12.839   2.4244  637.626   61.621  691.479   69.827 -0.000000 0.000000 
1 1 1    0   32   22 f  180.233   55.850   1.0596   0.5463   1.8182   0.9385   0.6707   0.6719  226.797   85.819  133.669   71.499 0.000000 0.000000 
1 1 1    0   32   24 o  1013.11   45.188   27.449   2.2898   25.026   3.4793   29.300   3.0414  969.683   70.652  1056.54   56.357 0.000000 0.000000 
1 1 1    0   32   26 o  980.831   44.198   25.526   2.1891   25.950   2.9304   24.991   3.2930  992.193   57.897  969.470   66.796 -0.000000 0.000000 
1 1 1    0   32   28 o  554.648   46.225   8.4000   1.2645   8.4042   1.7175   8.3951   1.8685  556.414   62.008  552.883   68.572 -0.000000 0.000000 
1 1 1    0   32   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   32   32 o  801.481   44.952   17.172   1.8193   18.910   2.7023   15.731   2.4605  839.031   63.479  763.931   63.664 0.000000 0.000000 
1 1 1    0   32   34 o  607.739   45.818   10.078   1.3888   10.887   2.0387   9.3773   1.8970  631.328   64.341  584.151   65.249 0.000000 0.000000 
1 1 1    0   32   36 o  1246.40   44.184   41.618   2.8083   41.577   4.1111   41.654   3.8454  1244.02   64.677  1248.77   60.214 0.000000 0.000000 
1 1 1    0   32   38 o  276.060   63.476   2.5473   0.7992   2.0645   1.0403   3.2426   1.2485  236.966   90.547  315.155   88.984 -0.000000 0.000000 
1 1 1    0   32   40 o  202.855   60.761   1.5902   0.6429   1.6493   0.8960   1.5275   0.9231  208.699   85.003  197.011   86.845 0.000000 0.000000 
1 1 1    0   32   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   32   44 o  120.754   49.811   0.5091   0.5195   0.6602   0.7238   0.3487   0.7460  129.810   72.539  111.697   68.284 -0.000000 0.000000 
1 1 1    0   32   46 o  533.700   51.839   8.4201   1.3082   7.1814   1.8836   9.5746   1.8184  485.623   82.623  581.777   62.630 0.000000 0.000000 
1 1 1    0   32   48 o  669.853   48.843   12.964   1.6348   12.004   2.2373   14.064   2.3946  641.909   69.894  697.797   68.246 -0.000000 0.000000 
1 1 1    0   33    1 o  829.749   53.409   18.434   2.2046   15.805   3.1476   20.966   3.0889  767.355   82.159  892.142   68.263 0.000000 0.000000 
1 1 1    0   33    3 o  1902.44   43.470   93.726   4.0691   93.289   5.0793   94.510   6.7986  1898.69   52.122  1906.20   69.582 0.000000 0.000000 
1 1 1    0   33    5 o  1660.88   42.570   70.478   3.5315   76.584   5.7722   66.826   4.4646  1716.12   65.640  1605.64   54.223 -0.000000 0.000000 
1 1 1    0   33    7 o  534.212   47.516   7.3734   1.1743   5.1773   1.5009   10.839   1.8855  428.816   74.924  639.609   58.460 0.000000 0.000000 
1 1 1    0   33    9 o  380.420   63.102   4.0379   1.1321   4.0379   1.1321   0.0000   0.0000  380.420   63.102  380.420   63.102 0.000000 0.000000 
1 1 1    0   33   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   33   13 o  1200.97   60.111   37.663   3.6903   37.663   3.6903   0.0000   0.0000  1200.97   60.111  1200.97   60.111 -0.000000 0.000000 
1 1 1    0   33   15 o  1492.64   47.388   58.859   3.5242   61.067   4.5515   55.553   5.5690  1531.39   57.999  1453.89   74.958 -0.000000 0.000000 
1 1 1    0   33   17 o  428.888   53.480   5.0151   1.0453   6.1800   1.7172   4.3293   1.3176  468.897   77.630  388.880   73.579 0.000000 0.000000 
1 1 1    0   33   19 o  266.661   56.711   1.9895   0.7169   3.8943   1.2694   1.0974   0.8687  364.806   76.897  168.517   83.374 0.000000 0.000000 
1 1 1    0   33   21 o  849.501   46.546   19.303   1.9602   19.876   2.5505   18.476   3.0638  868.454   57.706  830.549   73.050 -0.000000 0.000000 
1 1 1    0   33   23 o  332.802   57.889   3.3528   0.8457   3.4883   1.3238   3.2594   1.0993  334.142   89.183  331.462   73.832 0.000000 0.000000 
1 1 1    0   33   25 o  525.286   51.438   7.7888   1.2557   6.9466   1.9522   8.3831   1.6400  492.871   84.495  557.701   58.684 0.000000 0.000000 
1 1 1    0   33   27 o  123.674   48.623   0.5359   0.4330   0.6232   0.7680   0.4952   0.5243  131.972   74.336  115.376   62.696 0.000000 0.000000 
1 1 1    0   33   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   33   31 f  292.804   61.015   2.9196   0.8179   2.2267   1.2358   3.4596   1.0911  242.538  100.006  343.070   69.928 0.000000 0.000000 
1 1 1    0   33   33 o  1097.77   44.997   32.512   2.4991   29.656   3.6511   35.030   3.4281  1048.19   68.420  1147.34   58.461 0.000000 0.000000 
1 1 1    0   33   35 o  105.016   42.892   0.2742   0.3891   0.0000   0.5116   0.6506   0.5994   80.878   52.323  129.154   67.979 -0.000000 0.000000 
1 1 1    0   33   37 o  391.210   58.054   4.5947   0.9984   6.3053   1.5015   3.2387   1.3368  473.728   65.153  308.692   96.105 0.000000 0.000000 
1 1 1    0   33   39 o  139.023   47.416   0.5495   0.4618   1.3556   0.7253   0.0000   0.5989  191.106   76.251   86.941   56.381 0.000000 0.000000 
1 1 1    0   33   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   33   43 o  210.512   58.599   1.5840   0.6530   0.9819   0.8459   2.4716   1.0271  153.669   80.794  267.355   84.899 -0.000000 0.000000 
1 1 1    0   33   45 o  237.126   59.886   2.0616   0.7196   2.9024   1.0665   1.3589   0.9750  296.386   80.955  177.867   88.270 0.000000 0.000000 
1 1 1    0   33   47 o  132.215   50.460   0.7187   0.4660   0.7463   0.7757   0.7030   0.5830  134.321   75.084  130.110   67.434 0.000000 0.000000 
1 1 1    0   34    0 o  1245.41   73.531   40.489   4.6706   0.0000   0.0000   40.489   4.6706  1245.41   73.531  1245.41   73.531 0.000000 0.000000 
1 1 1    0   34    2 o  2200.72   51.348  126.729   5.7677  137.088   8.0298  115.688   8.2899  2296.07   68.158  2105.37   76.818 -0.000000 0.000000 
1 1 1    0   34    4 o  147.126   69.789   0.8227   0.6002   0.8227   0.6002   0.0000   0.0000  147.126   69.789  147.126   69.789 0.000000 0.000000 
1 1 1    0   34    6 o  1227.05   53.472   39.152   3.3587   0.0000   0.0000   39.152   3.3587  1227.05   53.472  1227.05   53.472 -0.000000 0.000000 
1 1 1    0   34    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   34   10 o   97.038   58.451   0.2410   0.5297   0.0000   0.0000   0.2410   0.5297   97.038   58.451   97.038   58.451 0.000000 0.000000 
1 1 1    0   34   12 o  1306.38   48.990   45.112   3.1913   46.453   4.1324   43.130   5.0231  1333.94   60.540  1278.83   77.040 -0.000000 0.000000 
1 1 1    0   34   14 o  2210.86   46.933  126.753   5.2262  131.705   8.2821  123.476   6.7368  2243.72   71.964  2178.01   60.267 0.000000 0.000000 
1 1 1    0   34   16 o  1466.62   47.746   57.144   3.4766   53.167   5.5144   59.767   4.4788  1419.52   76.057  1513.71   57.742 0.000000 0.000000 
1 1 1    0   34   18 o  594.649   50.916   9.5794   1.4471   9.8468   2.3570   9.4177   1.8333  597.152   80.968  592.146   61.758 0.000000 0.000000 
1 1 1    0   34   20 o   78.953   36.344   0.0000   0.3094   0.0000   0.6208   0.0000   0.3570   89.686   57.878   68.221   43.975 0.000000 0.000000 
1 1 1    0   34   22 o  1241.13   45.677   40.757   2.8438   39.954   4.4337   41.318   3.7067  1227.46   70.797  1254.81   57.735 0.000000 0.000000 
1 1 1    0   34   24 f   91.642   40.378   0.1057   0.3589   0.0000   0.4348   0.3318   0.6359   75.120   48.464  108.165   64.597 -0.000000 0.000000 
1 1 1    0   34   26 o  749.166   70.860   15.205   2.6732   15.205   2.6732   0.0000   0.0000  749.166   70.860  749.166   70.860 0.000000 0.000000 
1 1 1    0   34   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   34   30 o  407.272   60.054   5.1693   1.0538   3.9448   1.5975   6.1126   1.4021  343.902  103.626  470.642   60.727 0.000000 0.000000 
1 1 1    0   34   32 o  653.023   48.994   11.905   1.5597   13.236   2.1140   10.315   2.3105  700.282   59.717  605.765   77.689 -0.000000 0.000000 
1 1 1    0   34   34 o  254.935   62.429   2.3279   0.7513   1.9993   1.1592   2.5658   0.9865  226.737   97.212  283.133   78.353 0.000000 0.000000 
1 1 1    0   34   36 o  182.746   55.644   1.2313   0.5540   0.8821   0.7320   1.6997   0.8477  148.568   75.901  216.924   81.389 -0.000000 0.000000 
1 1 1    0   34   38 o  276.027   54.853   2.8816   0.8113   1.0406   1.2422   4.2513   1.0714  163.501   93.558  388.552   57.290 0.000000 0.000000 
1 1 1    0   34   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   34   42 o   79.242   36.441   0.0000   0.3468   0.0000   0.5652   0.0000   0.4392   84.003   54.586   74.481   48.293 0.000000 0.000000 
1 1 1    0   34   44 o  412.334   57.521   5.1775   1.0608   6.6210   1.5998   4.0450   1.4170  475.902   69.779  348.766   91.462 0.000000 0.000000 
1 1 1    0   34   46 o  124.278   50.733   0.5978   0.5201   0.6989   0.6283   0.3776   0.9269  129.790   69.229  118.766   74.180 -0.000000 0.000000 
1 1 1    0   35    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   35    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   35    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   35    7 o  368.648   85.425   4.0558   1.4085   0.0000   0.0000   4.0558   1.4085  368.648   85.425  368.648   85.425 0.000000 0.000000 
1 1 1    0   35    9 o  1882.37   50.889   93.809   4.8069   86.737   7.4227   98.917   6.3084  1816.44   79.833  1948.29   63.129 0.000000 0.000000 
1 1 1    0   35   11 o  1308.66   49.779   45.250   3.2512   46.167   4.2069   43.889   5.1232  1328.65   61.892  1288.67   77.981 -0.000000 0.000000 
1 1 1    0   35   13 o  1116.46   48.289   32.376   2.6936   35.216   4.3255   30.578   3.4427  1154.07   73.587  1078.86   62.548 0.000000 0.000000 
1 1 1    0   35   15 o  705.471   48.524   12.915   1.6892   11.192   2.1497   15.697   2.7310  645.295   66.409  765.646   70.769 -0.000000 0.000000 
1 1 1    0   35   17 o  197.790   57.294   1.0943   0.6233   0.4601   0.7504   2.5048   1.1191  121.679   71.340  273.901   89.671 -0.000000 0.000000 
1 1 1    0   35   19 o  320.883   63.577   3.7211   0.9434   4.6486   1.1864   2.1258   1.5559  410.070   60.041  231.696  112.086 -0.000000 0.000000 
1 1 1    0   35   21 o  1145.73   46.321   34.525   2.6498   33.740   3.3983   35.742   4.2321  1132.26   58.738  1159.19   71.639 -0.000000 0.000000 
1 1 1    0   35   23 o  498.198   51.077   6.6054   1.1923   8.6974   1.9517   5.3601   1.5059  562.319   70.516  434.078   73.911 0.000000 0.000000 
1 1 1    0   35   25 o  685.002   73.629   12.838   2.5173   0.0000   0.0000   12.838   2.5173  685.002   73.629  685.002   73.629 -0.000000 0.000000 
1 1 1    0   35   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   35   29 o  694.593   49.614   13.591   1.6498   15.695   2.2067   10.924   2.4840  766.260   56.729  622.927   81.412 -0.000000 0.000000 
1 1 1    0   35   31 o  131.027   52.779   0.6105   0.5519   0.6880   0.8352   0.5504   0.7354  136.874   77.350  125.179   71.831 0.000000 0.000000 
1 1 1    0   35   33 o  142.519   49.694   0.5944   0.5090   0.0000   0.6724   1.3920   0.7789   92.282   59.805  192.755   79.380 -0.000000 0.000000 
1 1 1    0   35   35 f  970.121   46.444   25.706   2.2699   24.048   3.3687   27.084   3.0719  936.739   70.881  1003.50   60.033 0.000000 0.000000 
1 1 1    0   35   37 o  387.940   58.311   4.5792   1.0178   4.6163   1.5111   4.5484   1.3770  385.862   87.344  390.019   77.277 0.000000 0.000000 
1 1 1    0   35   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   35   41 o  192.669   49.813   1.1465   0.6268   2.5890   0.9420   0.0000   0.8398  284.198   74.615  101.141   66.015 0.000000 0.000000 
1 1 1    0   35   43 o  261.526   61.764   2.4055   0.7768   1.6723   1.0236   3.4007   1.1926  200.014   91.415  323.037   83.082 -0.000000 0.000000 
1 1 1    0   35   45 o  398.484   66.167   5.5752   1.1423   6.9397   1.5314   3.8638   1.7150  489.731   63.818  307.238  115.929 -0.000000 0.000000 
1 1 1    0   36    0 o  3627.68   72.353  341.068   13.482  341.068   13.482   0.0000   0.0000  3627.68   72.353  3627.68   72.353 -0.000000 0.000000 
1 1 1    0   36    2 o  1505.62   51.969   59.513   3.9985   59.084   5.5507   59.976   5.7649  1500.43   72.339  1510.80   74.634 -0.000000 0.000000 
1 1 1    0   36    4 o  2654.30   51.168  183.852   6.9539  180.465   9.4719  187.813   10.242  2629.04   70.189  2679.55   74.473 -0.000000 0.000000 
1 1 1    0   36    6 o  1149.99   44.371   35.128   2.5130   32.835   4.0497   36.564   3.2047  1115.54   71.278  1184.45   52.865 -0.000000 0.000000 
1 1 1    0   36    8 f  347.122   59.345   4.0581   0.8840   5.1365   1.1437   2.4577   1.3932  435.908   53.142  258.336  106.128 0.000000 0.000000 
1 1 1    0   36   10 o  288.916   56.777   2.7861   0.7327   3.2626   0.9443   2.0650   1.1615  340.285   59.388  237.547   96.786 0.000000 0.000000 
1 1 1    0   36   12 o  1138.93   49.468   34.083   2.8157   35.176   4.4660   33.363   3.6274  1151.31   76.215  1126.54   63.082 0.000000 0.000000 
1 1 1    0   36   14 o  167.906   55.200   0.7899   0.5739   1.8713   0.9902   0.2429   0.7043  228.699   88.584  107.114   65.887 0.000000 0.000000 
1 1 1    0   36   16 o  831.574   53.498   19.403   2.0966   21.840   2.6885   15.619   3.3493  910.292   57.985  752.857   89.920 -0.000000 0.000000 
1 1 1    0   36   18 o  507.330   55.647   7.2618   1.2816   7.3639   1.6191   7.0905   2.0970  519.985   63.029  494.675   91.726 -0.000000 0.000000 
1 1 1    0   36   20 o  177.953   52.741   1.2466   0.5843   0.3696   1.0138   1.6829   0.7151  128.348   78.997  227.559   69.900 0.000000 0.000000 
1 1 1    0   36   22 o  540.755   58.670   8.6375   1.3692   9.6093   1.7320   7.0185   2.2356  598.134   57.547  483.376  102.261 -0.000000 0.000000 
1 1 1    0   36   24 o  1339.58   71.886   47.970   4.9184   47.970   4.9184   0.0000   0.0000  1339.58   71.886  1339.58   71.886 0.000000 0.000000 
1 1 1    0   36   26 o  1684.63   58.869   74.951   5.0847   0.0000   0.0000   74.951   5.0847  1684.63   58.869  1684.63   58.869 0.000000 0.000000 
1 1 1    0   36   28 o  165.171   54.194   1.0719   0.5412   1.3322   0.7154   0.7237   0.8276  191.118   75.619  139.224   77.652 -0.000000 0.000000 
1 1 1    0   36   30 o  111.538   46.009   0.4060   0.4383   0.0000   0.8549   0.5508   0.5105  103.701   67.292  119.375   62.763 0.000000 0.000000 
1 1 1    0   36   32 o  277.041   52.272   2.8338   0.8071   4.5565   1.0873   0.7197   1.2045  405.296   55.044  148.786   88.880 -0.000000 0.000000 
1 1 1    0   36   34 o  278.009   62.385   2.5696   0.7899   2.0621   1.0358   3.2747   1.2210  236.837   90.311  319.181   86.089 -0.000000 0.000000 
1 1 1    0   36   36 o  506.864   52.024   7.3346   1.2684   6.9859   1.7123   7.7587   1.8882  494.106   71.830  519.622   75.275 -0.000000 0.000000 
1 1 1    0   36   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   36   40 o   92.817   40.216   0.2182   0.3660   0.3225   0.4449   0.0000   0.6434   96.330   55.611   89.304   58.110 -0.000000 0.000000 
1 1 1    0   36   42 o  366.181   60.260   4.2050   0.9789   3.3252   1.2883   5.4067   1.5058  309.613   92.887  422.748   76.793 -0.000000 0.000000 
1 1 1    0   36   44 o  291.486   61.364   2.8739   0.7963   3.5500   1.2488   2.4107   1.0336  325.794   86.293  257.178   87.267 0.000000 0.000000 
1 1 1    0   37    1 o  192.317   51.512   1.1526   0.6483   0.0000   0.9013   2.3884   0.9333  107.942   69.689  276.692   75.876 -0.000000 0.000000 
1 1 1    0   37    3 o  345.389   67.115   3.8355   1.0693   5.2704   1.5498   2.5320   1.4771  430.224   77.555  260.554  109.559 0.000000 0.000000 
1 1 1    0   37    5 o  2303.64   43.371  136.938   4.9848  144.295   8.1505  132.542   6.3006  2349.21   67.610  2258.07   54.343 -0.000000 0.000000 
1 1 1    0   37    7 o  599.088   45.840   9.5813   1.3457   10.117   2.1335   9.2272   1.7342  610.899   70.352  587.277   58.787 -0.000000 0.000000 
1 1 1    0   37    9 o  133.080   52.046   0.6414   0.5224   0.7126   0.7009   0.5524   0.7836  137.448   73.183  128.712   74.022 0.000000 0.000000 
1 1 1    0   37   11 f  1799.27   41.328   83.737   3.7795   90.303   5.8255   78.963   4.9666  1858.49   61.118  1740.06   55.646 -0.000000 0.000000 
1 1 1    0   37   13 o  132.395   51.387   0.6433   0.5032   0.3892   0.9008   0.7586   0.6066  124.461   75.592  140.328   69.629 0.000000 0.000000 
1 1 1    0   37   15 o  248.984   63.084   2.2986   0.7933   2.7354   1.0005   1.5591   1.3019  299.152   75.212  198.817  101.300 -0.000000 0.000000 
1 1 1    0   37   17 o  1025.01   50.561   28.752   2.5178   25.189   4.0340   31.025   3.2225  964.556   82.747  1085.46   58.125 0.000000 0.000000 
1 1 1    0   37   19 o  1034.92   48.767   28.603   2.4855   28.403   4.0364   28.726   3.1544  1027.08   77.452  1042.75   59.278 0.000000 0.000000 
1 1 1    0   37   21 o  574.715   50.603   8.9198   1.4030   10.022   2.2692   8.2379   1.7851  601.042   76.874  548.387   65.827 0.000000 0.000000 
1 1 1    0   37   23 o  545.523   84.388   8.4810   2.1982   8.4810   2.1982   0.0000   0.0000  545.523   84.388  545.523   84.388 0.000000 0.000000 
1 1 1    0   37   25 o  571.773   61.471   8.9055   1.7542   8.9055   1.7542   0.0000   0.0000  571.773   61.471  571.773   61.471 -0.000000 0.000000 
1 1 1    0   37   27 o  627.860   49.057   10.637   1.5107   9.6608   1.9415   12.134   2.4049  593.103   65.735  662.617   72.837 -0.000000 0.000000 
1 1 1    0   37   29 o  341.346   59.685   3.6725   0.8950   3.8680   1.1787   3.4062   1.3756  363.071   70.879  319.622   96.048 -0.000000 0.000000 
1 1 1    0   37   31 o  782.633   48.104   16.765   1.8798   16.704   2.8705   16.810   2.4873  777.597   73.298  787.669   62.318 0.000000 0.000000 
1 1 1    0   37   33 f  137.806   49.761   0.6719   0.4783   0.2944   0.6463   1.1292   0.7113  105.200   63.956  170.413   76.252 -0.000000 0.000000 
1 1 1    0   37   35 o  443.860   55.020   5.7197   1.1312   5.1697   1.4904   6.4672   1.7373  417.868   77.102  469.852   78.511 -0.000000 0.000000 
1 1 1    0   37   37 o  740.546   72.775   15.438   2.7094   0.0000   0.0000   15.438   2.7094  740.546   72.775  740.546   72.775 -0.000000 0.000000 
1 1 1    0   37   39 o  201.959   57.590   1.6034   0.6206   1.9307   0.8259   1.1790   0.9404  236.749   76.741  167.169   85.892 -0.000000 0.000000 
1 1 1    0   37   41 o   72.499   33.542   0.0000   0.2730   0.0000   0.5341   0.0000   0.3176   81.450   52.978   63.547   41.154 0.000000 0.000000 
1 1 1    0   37   43 o  174.818   59.291   1.3082   0.6164   1.2093   0.9964   1.3695   0.7846  165.432   87.491  184.204   80.044 0.000000 0.000000 
1 1 1    0   38    0 o  1342.71   73.670   47.201   5.0506   47.201   5.0506   0.0000   0.0000  1342.71   73.670  1342.71   73.670 -0.000000 0.000000 
1 1 1    0   38    2 o  728.536   56.021   14.537   2.0015   16.447   2.7883   12.506   2.8749  783.943   70.492  673.129   87.088 -0.000000 0.000000 
1 1 1    0   38    4 o  571.625   46.658   8.4770   1.2895   7.2582   1.6164   10.610   2.1385  516.651   63.413  626.599   68.460 0.000000 0.000000 
1 1 1    0   38    6 o  336.396   60.444   4.1690   0.9259   1.8615   1.4989   5.5931   1.1775  217.128  109.127  455.663   52.013 -0.000000 0.000000 
1 1 1    0   38    8 o  340.997   55.902   3.4048   0.8428   4.9567   1.3143   2.3209   1.0984  421.867   65.242  260.126   90.794 -0.000000 0.000000 
1 1 1    0   38   10 o  644.646   44.888   10.874   1.4305   9.0408   1.8631   13.506   2.2326  577.836   64.808  711.456   62.125 0.000000 0.000000 
1 1 1    0   38   12 o  666.999   52.738   11.921   1.7114   13.034   2.7731   11.237   2.1750  689.101   81.236  644.896   67.274 0.000000 0.000000 
1 1 1    0   38   14 o  187.638   50.950   1.3409   0.6330   0.0000   1.0662   2.0709   0.7866  116.609   75.474  258.667   68.465 0.000000 0.000000 
1 1 1    0   38   16 o  685.590   54.174   13.140   1.7490   11.771   2.8194   13.996   2.2299  647.414   89.601  723.767   60.918 0.000000 0.000000 
1 1 1    0   38   18 o  178.119   57.668   1.2519   0.6153   0.8074   1.0159   1.5093   0.7732  150.022   85.098  206.215   77.851 0.000000 0.000000 
1 1 1    0   38   20 o  887.679   52.949   22.305   2.2173   25.139   2.8356   17.846   3.5570  974.472   57.046  800.885   89.219 -0.000000 0.000000 
1 1 1    0   38   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   38   24 o  616.244   61.531   10.313   1.9049   0.0000   0.0000   10.313   1.9049  616.244   61.531  616.244   61.531 0.000000 0.000000 
1 1 1    0   38   26 o  255.609   61.976   2.4211   0.7939   1.6128   1.2418   2.9797   1.0324  198.643   99.443  312.574   73.994 0.000000 0.000000 
1 1 1    0   38   28 o  316.217   63.047   3.2665   0.8748   3.3295   1.1254   3.1703   1.3906  330.845   75.981  301.589  100.630 -0.000000 0.000000 
1 1 1    0   38   30 o  137.424   49.078   0.6053   0.4413   1.1872   0.7413   0.2857   0.5493  175.094   77.833   99.754   59.804 0.000000 0.000000 
1 1 1    0   38   32 o  479.714   59.377   6.9543   1.2563   5.9546   1.9545   7.6582   1.6399  434.547  100.542  524.881   63.196 0.000000 0.000000 
1 1 1    0   38   34 o  243.993   61.270   2.2307   0.7518   1.5743   1.1386   2.7380   1.0009  194.266   95.561  293.720   76.709 0.000000 0.000000 
1 1 1    0   38   36 f  404.460   92.434   5.1704   1.6745   0.0000   0.0000   5.1704   1.6745  404.460   92.434  404.460   92.434 -0.000000 0.000000 
1 1 1    0   38   38 o  126.136   47.286   0.5783   0.4761   0.0000   0.7506   0.9677   0.6159   95.941   62.548  156.332   70.934 0.000000 0.000000 
1 1 1    0   38   40 o  561.072   56.309   9.5682   1.4343   7.7925   2.1644   10.958   1.9151  496.834   94.732  625.309   60.897 0.000000 0.000000 
1 1 1    0   38   42 o  245.241   62.277   2.2463   0.7447   1.7093   1.0111   2.8831   1.1009  201.075   90.905  289.407   85.146 -0.000000 0.000000 
1 1 1    0   39    1 o  1315.76   53.030   45.898   3.5546   49.500   5.1008   42.498   4.9562  1367.42   73.030  1264.10   76.912 0.000000 0.000000 
1 1 1    0   39    3 o  964.593   53.664   24.802   2.6162   22.612   3.5791   27.315   3.8336  917.644   77.117  1011.54   74.649 -0.000000 0.000000 
1 1 1    0   39    5 o  150.619   54.783   0.8460   0.5201   0.9775   0.8920   0.7783   0.6401  159.214   83.166  142.024   71.331 -0.000000 0.000000 
1 1 1    0   39    7 o  264.307   62.028   2.2220   0.7454   3.0811   1.2294   1.7226   0.9373  310.695   88.797  217.919   86.632 -0.000000 0.000000 
1 1 1    0   39    9 o  396.366   55.606   4.4501   0.9645   6.4798   1.5091   3.0481   1.2542  486.197   63.343  306.535   91.409 -0.000000 0.000000 
1 1 1    0   39   11 o  547.088   46.280   8.2567   1.2227   7.5564   1.8542   8.7956   1.6265  521.573   73.304  572.602   56.513 -0.000000 0.000000 
1 1 1    0   39   13 o  186.734   56.025   1.2533   0.7177   2.1530   0.9407   0.0000   1.1102  254.721   81.480  118.746   76.916 -0.000000 0.000000 
1 1 1    0   39   15 o  192.223   63.478   1.2881   0.7195   0.7937   0.9117   2.1043   1.1715  146.652   81.606  237.794   97.253 -0.000000 0.000000 
1 1 1    0   39   17 o  911.177   51.233   22.493   2.2778   21.981   3.7153   22.801   2.8832  896.583   82.189  925.771   61.190 0.000000 0.000000 
1 1 1    0   39   19 o  299.593   67.906   3.0492   0.9091   2.9434   1.4938   3.1114   1.1456  283.109  108.587  316.077   81.571 0.000000 0.000000 
1 1 1    0   39   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39   23 o  133.529   50.925   0.6844   0.4895   0.4190   0.8807   0.8031   0.5889  123.617   74.914  143.441   69.004 0.000000 0.000000 
1 1 1    0   39   25 o  698.441   52.160   13.601   1.7501   13.008   2.8161   13.975   2.2339  678.182   84.271  718.700   61.491 0.000000 0.000000 
1 1 1    0   39   27 o  156.434   56.323   0.6918   0.5633   1.6833   1.0397   0.2799   0.6701  206.941   92.185  105.927   64.737 0.000000 0.000000 
1 1 1    0   39   29 o  638.555   48.856   10.955   1.5298   9.1724   1.9698   13.665   2.4284  572.914   69.615  704.195   68.567 -0.000000 0.000000 
1 1 1    0   39   31 o  984.569   50.183   27.318   2.4177   22.758   3.7036   30.704   3.1916  900.025   81.581  1069.11   58.464 0.000000 0.000000 
1 1 1    0   39   33 o  635.220   54.640   11.820   1.6044   9.9622   2.5213   13.085   2.0797  578.394   91.686  692.046   59.462 0.000000 0.000000 
1 1 1    0   39   35 o  322.519  104.359   3.7032   1.5294   0.0000   0.0000   3.7032   1.5294  322.519  104.359  322.519  104.359 -0.000000 0.000000 
1 1 1    0   39   37 o  129.194   48.282   0.4051   0.4495   1.2472   0.7888   0.0000   0.5471  175.734   80.250   82.654   53.708 0.000000 0.000000 
1 1 1    0   39   39 o  176.293   60.041   1.3053   0.6242   1.3281   0.7761   1.2636   1.0505  182.332   79.618  170.254   89.892 -0.000000 0.000000 
1 1 1    0   39   41 o  120.449   48.123   0.5680   0.4634   0.6834   0.6260   0.4281   0.6892  128.584   68.939  112.313   67.161 -0.000000 0.000000 
1 1 1    0   40    0 o  1210.43   74.362   38.560   4.5876   0.0000   0.0000   38.560   4.5876  1210.43   74.362  1210.43   74.362 0.000000 0.000000 
1 1 1    0   40    2 o  142.710   56.410   0.6583   0.6194   0.3804   0.8004   1.0731   0.9780  119.126   71.802  166.294   87.023 0.000000 0.000000 
1 1 1    0   40    4 o  1658.55   52.775   73.220   4.4592   69.701   6.5129   76.325   6.1182  1617.80   78.728  1699.29   70.303 0.000000 0.000000 
1 1 1    0   40    6 o  279.012   57.508   2.4222   0.7657   1.4253   0.9916   3.8947   1.2052  191.468   89.829  366.557   71.830 0.000000 0.000000 
1 1 1    0   40    8 o  180.949   59.442   1.2280   0.6147   1.5521   0.9435   0.9890   0.8102  202.666   87.771  159.232   80.185 -0.000000 0.000000 
1 1 1    0   40   10 o  1033.89   42.913   28.070   2.2448   26.682   2.9633   29.940   3.4389  1005.21   57.775  1062.57   63.468 0.000000 0.000000 
1 1 1    0   40   12 o  2199.55   42.039  127.102   4.6968  127.200   6.2169  126.971   7.1689  2203.97   54.943  2195.13   63.643 0.000000 0.000000 
1 1 1    0   40   14 o  197.502   55.514   1.0733   0.6407   0.2752   0.7888   2.6212   1.0985  112.686   69.511  282.318   86.576 -0.000000 0.000000 
1 1 1    0   40   16 o  837.292   50.048   18.518   2.0693   17.030   2.6160   21.006   3.3822  795.829   64.930  878.756   76.180 -0.000000 0.000000 
1 1 1    0   40   18 o  150.435   81.728   0.8704   0.8908   0.0000   0.0000   0.8704   0.8908  150.435   81.728  150.435   81.728 -0.000000 0.000000 
1 1 1    0   40   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   22 o  470.974   65.538   6.8820   1.3117   7.6031   1.6713   5.7255   2.1166  524.350   64.633  417.599  114.033 -0.000000 0.000000 
1 1 1    0   40   24 o  632.161   54.084   11.356   1.6037   11.905   2.0464   10.483   2.5818  661.953   61.341  602.370   89.092 -0.000000 0.000000 
1 1 1    0   40   26 o  760.053   51.408   15.986   1.9030   16.131   2.4336   15.757   3.0528  771.475   62.291  748.630   81.798 -0.000000 0.000000 
1 1 1    0   40   28 o  218.828   64.991   1.9100   0.7928   2.3124   1.0273   1.3175   1.2465  258.408   86.633  179.249   96.902 -0.000000 0.000000 
1 1 1    0   40   30 o  233.349   66.402   2.1464   0.8042   2.3730   0.9996   1.7305   1.3540  264.700   83.558  201.998  103.223 -0.000000 0.000000 
1 1 1    0   40   32 o  166.143   59.527   0.9299   0.5958   0.6098   0.7049   1.7304   1.1147  126.945   71.332  205.341   95.319 -0.000000 0.000000 
1 1 1    0   40   34 o   93.056   60.553   0.0000   0.6987   0.0000   0.6987   0.0000   0.0000   93.056   60.553   93.056   60.553 0.000000 0.000000 
1 1 1    0   40   36 o   99.379   43.692   0.2355   0.4283   0.3239   0.5022   0.0000   0.8201   98.901   58.184   99.856   65.197 -0.000000 0.000000 
1 1 1    0   40   38 o  353.322   63.360   4.1537   0.9820   3.9110   1.5198   4.3277   1.2867  330.636  102.155  376.007   74.982 0.000000 0.000000 
1 1 1    0   40   40 o  511.956   63.196   8.5081   1.3845   6.6014   2.1289   9.9054   1.8225  434.010  110.347  589.902   61.631 0.000000 0.000000 
1 1 1    0   41    1 o  939.593   54.860   23.850   2.6084   23.773   3.7072   23.926   3.6707  937.731   78.143  941.455   77.022 0.000000 0.000000 
1 1 1    0   41    3 o  335.099   75.402   3.7259   1.1428   3.2306   1.5172   4.3755   1.7375  303.599  107.035  366.599  106.234 -0.000000 0.000000 
1 1 1    0   41    5 o  1730.12   44.554   78.292   3.8358   81.420   6.2680   76.419   4.8500  1752.79   69.807  1707.46   55.381 -0.000000 0.000000 
1 1 1    0   41    7 o  1295.82   43.904   43.016   2.8605   37.028   3.6604   52.408   4.5845  1183.72   60.508  1407.92   63.631 0.000000 0.000000 
1 1 1    0   41    9 o  371.464   57.862   4.2676   0.9364   4.8981   1.2448   3.4458   1.4211  419.657   61.577  323.272   97.982 0.000000 0.000000 
1 1 1    0   41   11 o  1193.32   43.217   37.546   2.6121   38.988   3.9975   36.471   3.4506  1211.32   64.608  1175.33   57.417 -0.000000 0.000000 
1 1 1    0   41   13 o  669.628   44.468   12.069   1.4906   11.742   1.9904   12.487   2.2495  660.667   59.720  678.590   65.904 0.000000 0.000000 
1 1 1    0   41   15 o  455.565   62.574   6.0722   1.2675   6.3545   2.0592   5.9000   1.6083  456.531  100.235  454.599   74.932 0.000000 0.000000 
1 1 1    0   41   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   19 o  235.156   81.639   1.9161   0.8910   1.9161   0.8910   0.0000   0.0000  235.156   81.639  235.156   81.639 -0.000000 0.000000 
1 1 1    0   41   21 o  934.649   49.637   23.149   2.2976   21.196   2.8999   26.443   3.7655  886.203   64.431  983.095   75.525 -0.000000 0.000000 
1 1 1    0   41   23 o  716.526   50.485   13.557   1.7723   17.436   2.8961   11.235   2.2410  796.473   72.083  636.580   70.703 0.000000 0.000000 
1 1 1    0   41   25 o  380.139   66.403   4.5670   1.0870   4.5756   1.3680   4.5523   1.7903  393.880   75.614  366.398  109.179 -0.000000 0.000000 
1 1 1    0   41   27 o  225.862   54.737   1.1729   0.6611   3.6518   1.2911   0.2921   0.7696  340.450   85.273  111.274   68.650 0.000000 0.000000 
1 1 1    0   41   29 o  542.199   53.794   8.0918   1.3766   10.540   2.2198   6.5622   1.7547  610.713   73.522  473.685   78.547 0.000000 0.000000 
1 1 1    0   41   31 o  357.793   66.373   4.2008   1.0341   4.0671   1.6541   4.2866   1.3249  339.265  107.743  376.322   77.543 0.000000 0.000000 
1 1 1    0   41   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   35 o  116.258   47.139   0.4947   0.4527   0.6483   0.5183   0.0000   0.9301  126.813   64.071  105.703   69.161 -0.000000 0.000000 
1 1 1    0   41   37 o  357.191   59.781   3.8859   0.9717   7.1925   1.6129   2.0020   1.2174  499.026   66.099  215.357   99.629 0.000000 0.000000 
1 1 1    0   41   39 o  397.181   68.977   5.7546   1.1784   6.8517   1.5174   4.0879   1.8703  486.068   63.763  308.295  122.334 -0.000000 0.000000 
1 1 1    0   42    0 o  961.553   76.043   24.606   3.7052   24.606   3.7052   0.0000   0.0000  961.553   76.043  961.553   76.043 -0.000000 0.000000 
1 1 1    0   42    2 o  544.974   63.751   8.5656   1.5662   10.922   2.2824   6.4683   2.1531  630.419   72.965  459.528  104.560 0.000000 0.000000 
1 1 1    0   42    4 o  103.758   45.342   0.1827   0.4775   0.4158   0.7205   0.0000   0.6377  117.013   69.291   90.502   58.500 0.000000 0.000000 
1 1 1    0   42    6 o  388.009   58.087   4.4026   0.9982   4.8254   1.6066   4.1368   1.2740  399.484   89.602  376.534   73.946 -0.000000 0.000000 
1 1 1    0   42    8 o  297.538   61.207   2.9303   0.8037   2.6371   1.2987   3.1123   1.0231  271.087  100.406  323.988   70.029 -0.000000 0.000000 
1 1 1    0   42   10 o  573.565   49.817   9.3387   1.3362   7.4835   1.9981   10.839   1.7971  511.367   82.424  635.764   55.978 -0.000000 0.000000 
1 1 1    0   42   12 o  1093.35   43.593   31.727   2.4150   31.018   3.2134   32.648   3.6608  1081.28   58.189  1105.42   64.927 0.000000 0.000000 
1 1 1    0   42   14 o  349.809   74.524   3.6410   1.1779   0.0000   0.0000   3.6410   1.1779  349.809   74.524  349.809   74.524 -0.000000 0.000000 
1 1 1    0   42   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   42   18 o  434.484   63.727   5.8176   1.1884   6.1902   1.5073   5.2055   1.9320  470.024   66.137  398.945  108.952 -0.000000 0.000000 
1 1 1    0   42   20 o  653.393   65.653   13.153   1.8012   9.4296   2.8976   15.498   2.2995  548.731  116.867  758.055   59.860 0.000000 0.000000 
1 1 1    0   42   22 o  1071.31   52.470   32.034   2.7180   33.888   3.4398   28.953   4.4346  1125.19   59.848  1017.44   86.200 -0.000000 0.000000 
1 1 1    0   42   24 o  263.882   62.512   2.6980   0.8716   1.4339   1.4114   3.4773   1.1082  186.643  102.371  341.121   71.774 0.000000 0.000000 
1 1 1    0   42   26 o  395.233   64.985   4.9165   1.1171   4.7445   1.7860   5.0270   1.4318  376.279  106.587  414.186   74.374 0.000000 0.000000 
1 1 1    0   42   28 o  493.284   56.232   6.9952   1.2747   6.6271   1.6083   7.6169   2.0903  482.139   68.973  504.429   88.830 -0.000000 0.000000 
1 1 1    0   42   30 o  130.839   54.843   0.5795   0.5935   0.4782   1.1622   0.6152   0.6904  134.973   83.751  126.705   70.831 0.000000 0.000000 
1 1 1    0   42   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   42   34 o  207.184   63.098   1.7875   0.7142   1.9481   0.8563   1.4203   1.2949  234.924   79.276  179.444   98.187 -0.000000 0.000000 
1 1 1    0   42   36 o  547.404   54.726   8.8201   1.4300   8.3608   1.8573   9.4887   2.2410  534.872   71.044  559.936   83.262 -0.000000 0.000000 
1 1 1    0   42   38 o  495.772   60.130   7.5690   1.3654   8.1200   2.1814   7.2141   1.7508  502.127   94.198  489.417   74.761 0.000000 0.000000 
1 1 1    0   43    1 o  160.819   59.965   1.0071   0.6685   0.8153   0.9547   1.1917   0.9365  148.349   83.154  173.289   86.422 0.000000 0.000000 
1 1 1    0   43    3 o  1012.66   54.838   27.846   2.8150   28.294   4.0609   27.431   3.9056  1019.95   78.511  1005.37   76.581 0.000000 0.000000 
1 1 1    0   43    5 o  593.766   67.078   10.548   1.7486   7.8201   2.5791   12.868   2.3787  500.661  115.078  686.872   68.953 0.000000 0.000000 
1 1 1    0   43    7 o  1210.10   44.549   38.460   2.7036   41.690   4.3193   36.380   3.4666  1248.36   67.754  1171.84   57.861 -0.000000 0.000000 
1 1 1    0   43    9 o  217.239   58.774   1.7494   0.6508   2.0807   0.8704   1.3294   0.9800  251.800   76.949  182.678   88.861 0.000000 0.000000 
1 1 1    0   43   11 o  241.802  116.229   2.4130   1.6704   2.4130   1.6704   0.0000   0.0000  241.802  116.229  241.802  116.229 0.000000 0.000000 
1 1 1    0   43   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   43   15 f  556.329   70.598   8.6332   1.9307   0.0000   0.0000   8.6332   1.9307  556.329   70.598  556.329   70.598 0.000000 0.000000 
1 1 1    0   43   17 o  300.330   67.854   2.8763   0.8961   3.9189   1.5372   2.3395   1.1029  343.884  100.148  256.776   91.579 0.000000 0.000000 
1 1 1    0   43   19 o  1496.39   50.812   60.411   3.7465   61.513   6.1880   59.774   4.7074  1497.00   80.942  1495.79   61.448 0.000000 0.000000 
1 1 1    0   43   21 o  1355.75   52.380   51.066   3.4492   46.606   5.6574   53.705   4.3516  1293.96   85.909  1417.54   59.953 0.000000 0.000000 
1 1 1    0   43   23 o  740.516   56.883   16.028   1.9335   17.655   2.4495   13.340   3.1494  807.955   59.719  673.077   96.832 -0.000000 0.000000 
1 1 1    0   43   25 o  141.768   54.945   0.7498   0.5616   0.9956   0.9090   0.5981   0.7143  156.770   83.384  126.766   71.574 0.000000 0.000000 
1 1 1    0   43   27 o  163.918   57.183   1.0696   0.6406   0.4944   0.9642   1.5240   0.8570  128.818   78.224  199.018   83.431 0.000000 0.000000 
1 1 1    0   43   29 o  303.148   67.153   3.4469   0.9626   2.4822   1.5631   4.0363   1.2218  239.615  112.742  366.681   72.990 0.000000 0.000000 
1 1 1    0   43   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   43   33 o  131.206   54.917   0.6129   0.5890   0.4929   1.1942   0.6515   0.6771  134.592   84.125  127.820   70.615 0.000000 0.000000 
1 1 1    0   43   35 o  313.081   70.623   3.6015   0.9910   3.4635   1.6294   3.6825   1.2484  289.848  113.980  336.313   83.420 0.000000 0.000000 
1 1 1    0   43   37 o  167.160   58.618   1.2279   0.6244   1.3777   0.7984   0.9921   1.0019  183.275   80.767  151.044   84.975 -0.000000 0.000000 
1 1 1    0   44    0 o  1123.24   76.980   33.586   4.3976   33.586   4.3976   0.0000   0.0000  1123.24   76.980  1123.24   76.980 -0.000000 0.000000 
1 1 1    0   44    2 o  462.002   66.776   6.4102   1.4011   6.3769   1.9400   6.4465   2.0258  462.388   91.876  461.615   96.927 -0.000000 0.000000 
1 1 1    0   44    4 o   87.735   56.755   0.0000   0.6018   0.0000   0.6018   0.0000   0.0000   87.735   56.755   87.735   56.755 -0.000000 0.000000 
1 1 1    0   44    6 o  286.085  102.378   2.9215   1.3756   0.0000   0.0000   2.9215   1.3756  286.085  102.378  286.085  102.378 0.000000 0.000000 
1 1 1    0   44    8 o  644.006   90.626   11.891   2.8298   11.891   2.8298   0.0000   0.0000  644.006   90.626  644.006   90.626 0.000000 0.000000 
1 1 1    0   44   10 o  1330.31   82.535   48.492   5.5952   48.492   5.5952   0.0000   0.0000  1330.31   82.535  1330.31   82.535 0.000000 0.000000 
1 1 1    0   44   12 o  200.307   93.458   1.6018   1.0722   1.6018   1.0722   0.0000   0.0000  200.307   93.458  200.307   93.458 -0.000000 0.000000 
1 1 1    0   44   14 o  1348.13   52.208   48.561   3.4988   46.059   4.4228   52.747   5.7199  1309.16   66.095  1387.10   80.835 -0.000000 0.000000 
1 1 1    0   44   16 o  295.190   68.952   2.7260   0.8907   4.0860   1.6077   2.1235   1.0700  349.583  102.925  240.797   91.783 0.000000 0.000000 
1 1 1    0   44   18 o  232.718   67.719   2.0647   0.7900   2.0799   0.9751   2.0356   1.3477  242.676   85.918  222.761  104.697 -0.000000 0.000000 
1 1 1    0   44   20 o  737.200   52.593   14.832   1.8852   16.375   3.1159   13.942   2.3678  761.617   81.977  712.782   65.909 0.000000 0.000000 
1 1 1    0   44   22 o  1063.03   54.732   32.357   2.7724   35.229   3.5056   27.563   4.5298  1144.38   59.959  981.684   91.582 -0.000000 0.000000 
1 1 1    0   44   24 o  788.965   51.451   16.952   1.9851   15.766   2.4882   19.029   3.2925  757.251   65.013  820.679   79.763 -0.000000 0.000000 
1 1 1    0   44   26 o  1417.98   51.481   55.679   3.5791   56.100   4.5009   54.956   5.9028  1439.90   61.049  1396.05   82.911 -0.000000 0.000000 
1 1 1    0   44   28 o  196.401   56.598   1.5811   0.6971   0.5152   1.1513   2.1979   0.8759  135.517   83.765  257.286   76.137 0.000000 0.000000 
1 1 1    0   44   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   44   32 o  424.656   64.077   5.5998   1.1865   5.2399   1.4811   6.2447   1.9826  415.306   77.198  434.006  102.294 -0.000000 0.000000 
1 1 1    0   44   34 o  810.517   52.979   19.103   2.0817   19.046   3.3831   19.139   2.6409  796.135   85.106  824.899   63.121 0.000000 0.000000 
1 1 1    0   44   36 o  117.241   47.914   0.5224   0.4783   0.0000   0.9706   0.6900   0.5497  105.736   69.691  128.747   65.773 0.000000 0.000000 
1 1 1    0   45    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45    9 o  212.822   92.586   1.7593   1.0497   1.7593   1.0497   0.0000   0.0000  212.822   92.586  212.822   92.586 -0.000000 0.000000 
1 1 1    0   45   11 o  493.208   78.620   8.8482   1.6098   11.703   2.0819   4.6027   2.5387  654.796   63.193  331.620  143.982 -0.000000 0.000000 
1 1 1    0   45   13 o  428.585   57.059   5.5749   1.0705   4.2355   1.5597   6.7680   1.4720  362.152   96.940  495.018   60.215 -0.000000 0.000000 
1 1 1    0   45   15 o  346.809   56.739   3.6877   0.8801   3.7790   1.2599   3.6007   1.2300  351.745   79.916  341.873   80.564 -0.000000 0.000000 
1 1 1    0   45   17 o  574.503   59.609   9.5426   1.5664   9.4762   2.5769   9.5815   1.9727  562.136   98.112  586.870   67.726 0.000000 0.000000 
1 1 1    0   45   19 o  753.092   52.937   15.406   1.9299   14.305   2.3945   17.447   3.2602  721.530   65.809  784.655   82.936 -0.000000 0.000000 
1 1 1    0   45   21 o  260.886   67.232   2.7434   0.9427   1.5963   1.5982   3.3556   1.1675  194.215  108.055  327.557   80.028 0.000000 0.000000 
1 1 1    0   45   23 o  144.834   57.344   0.7598   0.6054   0.6163   0.7352   1.0621   1.0670  128.148   72.511  161.520   88.857 -0.000000 0.000000 
1 1 1    0   45   25 o  619.888   62.530   11.656   1.7010   12.504   2.1317   10.171   2.8221  672.011   62.970  567.766  108.049 -0.000000 0.000000 
1 1 1    0   45   27 o  191.793   63.203   1.3382   0.6711   2.1596   1.1891   0.9543   0.8129  231.708   98.375  151.878   79.377 0.000000 0.000000 
1 1 1    0   45   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45   31 o  461.904   66.696   6.7335   1.3187   7.0176   2.2574   6.5863   1.6248  451.443  112.401  472.366   71.829 0.000000 0.000000 
1 1 1    0   45   33 o  132.052   55.593   0.6411   0.6152   0.6748   0.7127   0.5429   1.2180  128.800   71.981  135.304   84.742 -0.000000 0.000000 
1 1 1    0   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46    4 o  201.880   93.742   1.6306   1.0782   1.6306   1.0782   0.0000   0.0000  201.880   93.742  201.880   93.742 -0.000000 0.000000 
1 1 1    0   46    6 o  343.946   96.145   3.8620   1.4711   3.8620   1.4711   0.0000   0.0000  343.946   96.145  343.946   96.145 -0.000000 0.000000 
1 1 1    0   46    8 o  228.693   61.966   1.9193   0.6892   1.9778   0.9255   1.8464   1.0328  237.354   83.557  220.031   91.527 0.000000 0.000000 
1 1 1    0   46   10 o  403.528   55.747   4.7035   1.0131   3.8444   1.3182   5.9434   1.5836  352.413   83.825  454.643   73.513 0.000000 0.000000 
1 1 1    0   46   12 o  136.310   51.467   0.6884   0.5264   1.0166   0.7177   0.3064   0.7743  160.205   76.275  112.415   69.119 -0.000000 0.000000 
1 1 1    0   46   14 o  553.425   49.792   8.7516   1.3059   9.7545   1.7577   7.5160   1.9510  597.886   58.466  508.964   80.613 0.000000 0.000000 
1 1 1    0   46   16 o  817.908   45.294   18.330   1.8651   16.988   2.7150   19.529   2.5666  785.698   68.405  850.118   59.389 -0.000000 0.000000 
1 1 1    0   46   18 o  178.496   55.553   0.9401   0.5929   2.1864   1.0250   0.3134   0.7269  246.945   88.376  110.047   67.335 0.000000 0.000000 
1 1 1    0   46   20 o  186.640   64.406   1.4017   0.7134   1.6478   1.1515   1.2485   0.9087  198.727   96.384  174.553   85.456 0.000000 0.000000 
1 1 1    0   46   22 o  264.853   61.729   2.1691   0.8677   4.4261   1.4608   0.9387   1.0786  375.463   86.987  154.242   87.607 0.000000 0.000000 
1 1 1    0   46   24 f  371.883   71.410   5.1847   1.2045   6.3549   1.5358   3.3147   1.9414  470.461   67.532  273.305  125.844 -0.000000 0.000000 
1 1 1    0   46   26 o  471.380  105.296   7.2427   2.2288   0.0000   0.0000   7.2427   2.2288  471.380  105.296  471.380  105.296 -0.000000 0.000000 
1 1 1    0   46   28 o  575.019   68.781   9.4920   1.9565   0.0000   0.0000   9.4920   1.9565  575.019   68.781  575.019   68.781 0.000000 0.000000 
1 1 1    0   46   30 o  253.892   72.298   2.7329   0.9620   2.2377   1.6375   2.9939   1.1888  216.177  112.749  291.607   90.528 0.000000 0.000000 
1 1 1    0   46   32 o  113.326   47.982   0.4190   0.4793   0.3397   0.5970   0.5629   0.8041  103.106   62.079  123.547   73.179 -0.000000 0.000000 
1 1 1    0   47    1 o  468.349   70.287   6.8129   1.4706   7.7908   2.0635   5.8035   2.0964  516.997   84.382  419.700  112.432 0.000000 0.000000 
1 1 1    0   47    3 o  174.537   60.486   1.2173   0.7273   0.4748   1.1540   1.7066   0.9368  136.345   84.091  212.728   86.965 0.000000 0.000000 
1 1 1    0   47    5 o   91.648   42.018   0.0000   0.4692   0.0000   0.6858   0.0000   0.6433   93.056   60.341   90.241   58.488 0.000000 0.000000 
1 1 1    0   47    7 o  527.948   64.186   7.9559   1.5394   6.2140   1.9837   10.593   2.4409  447.528   98.537  608.367   82.280 -0.000000 0.000000 
1 1 1    0   47    9 o  626.871   48.696   11.003   1.4805   10.411   2.3027   11.420   1.9329  605.981   77.354  647.761   59.175 -0.000000 0.000000 
1 1 1    0   47   11 o  733.854   47.941   15.033   1.7305   13.430   2.6160   16.281   2.3075  691.720   75.885  775.987   58.606 -0.000000 0.000000 
1 1 1    0   47   13 o  701.991   48.997   14.055   1.6445   16.539   2.2171   11.016   2.4520  783.599   55.679  620.383   80.639 0.000000 0.000000 
1 1 1    0   47   15 o  118.846   48.318   0.4855   0.4836   0.6652   0.6605   0.2780   0.7098  130.408   70.527  107.284   66.065 -0.000000 0.000000 
1 1 1    0   47   17 o  185.738   59.390   1.3763   0.6286   1.1000   0.9077   1.6310   0.8712  163.559   84.306  207.918   83.674 0.000000 0.000000 
1 1 1    0   47   19 o  418.450   72.431   6.1386   1.2767   4.5402   2.1174   7.0518   1.6004  337.565  129.230  499.335   65.456 0.000000 0.000000 
1 1 1    0   47   21 o  959.904   53.674   25.437   2.5188   27.964   4.2122   24.031   3.1425  986.946   84.435  932.862   66.291 0.000000 0.000000 
1 1 1    0   47   23 o  686.174   62.468   14.260   1.9178   15.165   2.3991   12.656   3.1921  738.328   64.326  634.020  107.104 -0.000000 0.000000 
1 1 1    0   47   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   27 o  128.621   71.241   0.6639   0.6912   0.6639   0.6912   0.0000   0.0000  128.621   71.241  128.621   71.241 -0.000000 0.000000 
1 1 1    0   47   29 o  117.139   50.598   0.3965   0.5053   0.5854   1.0297   0.3366   0.5799  131.807   80.411  102.470   61.439 0.000000 0.000000 
1 1 1    0   47   31 o  198.303   66.583   1.7234   0.7584   1.7109   0.9264   1.7488   1.3206  204.520   86.833  192.086  100.960 -0.000000 0.000000 
1 1 1    0   48    0 o  123.431   72.953   0.4652   0.7960   0.4652   0.7960   0.0000   0.0000  123.431   72.953  123.431   72.953 -0.000000 0.000000 
1 1 1    0   48    2 o  1188.62   56.799   39.417   3.4040   43.717   4.7467   34.865   4.8841  1263.42   73.649  1113.83   86.488 -0.000000 0.000000 
1 1 1    0   48    4 o  155.061   59.750   0.7963   0.6646   1.4835   1.1276   0.4306   0.8226  189.326   94.765  120.797   72.801 0.000000 0.000000 
1 1 1    0   48    6 o  557.434   62.280   9.0324   1.6414   10.158   2.4775   8.1518   2.1912  590.253   87.237  524.615   88.909 0.000000 0.000000 
1 1 1    0   48    8 o   93.813   41.474   0.1419   0.4148   0.2873   0.5902   0.0000   0.5830  101.748   61.493   85.879   55.669 0.000000 0.000000 
1 1 1    0   48   10 o  775.711   47.169   16.369   1.8265   17.719   2.8525   15.431   2.3780  799.980   70.620  751.441   62.550 -0.000000 0.000000 
1 1 1    0   48   12 o  887.243   47.175   21.948   2.0770   18.965   3.1024   24.370   2.7962  823.891   74.650  950.594   57.701 -0.000000 0.000000 
1 1 1    0   48   14 o  527.580   50.047   7.9249   1.2823   7.9333   1.8965   7.9177   1.7405  525.146   74.591  530.014   66.747 -0.000000 0.000000 
1 1 1    0   48   16 o  490.336   54.028   7.1229   1.1924   8.7888   1.6748   5.4107   1.6979  563.728   59.287  416.944   90.340 0.000000 0.000000 
1 1 1    0   48   18 o  197.620   47.122   1.3109   0.6134   2.5990   0.8638   0.0000   0.8714  292.032   65.950  103.208   67.323 0.000000 0.000000 
1 1 1    0   48   20 o  1133.65   52.736   34.335   2.9324   43.016   5.0298   29.865   3.6092  1230.26   80.307  1037.04   68.376 0.000000 0.000000 
1 1 1    0   48   22 o  237.640   73.282   2.3271   0.9133   2.3718   1.5721   2.3044   1.1221  229.491  112.392  245.790   94.069 0.000000 0.000000 
1 1 1    0   48   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   26 o  336.882   70.744   4.5932   1.1218   2.9891   1.9568   5.3786   1.3692  246.229  124.476  427.534   67.268 0.000000 0.000000 
1 1 1    0   48   28 o  157.846   57.427   1.0895   0.6406   1.3648   0.8017   0.6035   1.0651  182.557   80.943  133.134   81.484 -0.000000 0.000000 
1 1 1    0   49    1 o  579.787   65.103   9.9770   1.7938   10.180   2.5620   9.7818   2.5125  586.124   91.720  573.449   92.417 0.000000 0.000000 
1 1 1    0   49    3 o  436.068   70.629   6.2458   1.4251   10.941   2.1729   2.7018   1.8878  625.139   69.840  246.997  122.784 0.000000 0.000000 
1 1 1    0   49    5 o  138.357   56.233   0.6998   0.6466   0.5151   0.9583   0.8542   0.8761  129.889   78.427  146.826   80.608 0.000000 0.000000 
1 1 1    0   49    7 o  169.641   58.279   0.8100   0.6911   0.0000   0.8795   2.1176   1.1175  104.156   67.835  235.127   94.786 -0.000000 0.000000 
1 1 1    0   49    9 o  127.882   51.345   0.5957   0.5349   0.3858   0.7843   0.7781   0.7313  116.210   70.560  139.553   74.610 -0.000000 0.000000 
1 1 1    0   49   11 o  831.523   47.699   19.277   1.9762   17.899   2.9841   20.353   2.6375  798.334   74.175  864.713   59.991 -0.000000 0.000000 
1 1 1    0   49   13 o  432.103   58.402   5.7872   1.1059   4.7217   1.6656   6.6274   1.4790  378.838   98.966  485.367   62.039 -0.000000 0.000000 
1 1 1    0   49   15 o  270.048   64.604   2.6028   0.8208   2.1038   1.1318   3.1563   1.1921  231.281   95.760  308.815   86.745 0.000000 0.000000 
1 1 1    0   49   17 o  931.080   61.139   26.058   2.6355   28.532   3.3183   21.832   4.3373  1018.02   63.979  844.137  104.203 -0.000000 0.000000 
1 1 1    0   49   19 o  127.162   53.210   0.2749   0.5158   1.2240   1.0884   0.0000   0.5858  168.999   90.807   85.326   55.493 0.000000 0.000000 
1 1 1    0   49   21 o  547.548  109.266   9.7898   2.7302   9.7898   2.7302   0.0000   0.0000  547.548  109.266  547.548  109.266 0.000000 0.000000 
1 1 1    0   49   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   25 o  121.345   50.956   0.5250   0.5448   0.0000   1.1336   0.6827   0.6212  114.036   75.213  128.655   68.770 0.000000 0.000000 
1 1 1    0   49   27 o  181.746   56.642   1.4692   0.7322   0.0000   1.3565   2.0733   0.8699  122.128   81.118  241.365   79.076 0.000000 0.000000 
1 1 1    0   50    0 o  1041.24   81.466   29.510   4.2997   29.510   4.2997   0.0000   0.0000  1041.24   81.466  1041.24   81.466 -0.000000 0.000000 
1 1 1    0   50    2 o  290.685   66.666   3.1839   1.0532   1.5151   1.5247   4.7066   1.4565  188.508  105.305  392.862   81.782 0.000000 0.000000 
1 1 1    0   50    4 o  147.927   57.050   0.7717   0.6990   0.0000   1.0615   1.3626   0.9288  113.372   74.076  182.483   86.785 0.000000 0.000000 
1 1 1    0   50    6 o  163.708   93.454   1.0732   1.2356   1.0732   1.2356   0.0000   0.0000  163.708   93.454  163.708   93.454 0.000000 0.000000 
1 1 1    0   50    8 o  164.455   92.654   1.1031   1.1935   1.1031   1.1935   0.0000   0.0000  164.455   92.654  164.455   92.654 0.000000 0.000000 
1 1 1    0   50   10 o  422.105   55.036   5.2701   1.0670   5.8373   1.6341   4.8485   1.4087  441.754   79.640  402.457   75.983 -0.000000 0.000000 
1 1 1    0   50   12 o  211.428   64.629   1.8815   0.7974   2.2637   0.9932   1.1882   1.3377  253.218   85.340  169.639   97.081 -0.000000 0.000000 
1 1 1    0   50   14 o  1014.75   46.134   28.321   2.3765   30.176   3.5368   26.794   3.2089  1043.81   66.524  985.687   63.937 -0.000000 0.000000 
1 1 1    0   50   16 o  225.370   63.405   1.9713   0.7179   1.7812   1.0436   2.1421   0.9891  208.815   92.342  241.925   86.914 -0.000000 0.000000 
1 1 1    0   50   18 o  145.243   54.845   0.8704   0.5678   1.0421   0.7858   0.6827   0.8214  157.818   79.085  132.667   76.008 -0.000000 0.000000 
1 1 1    0   50   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   22 o  155.916   79.115   1.0353   0.7922   0.0000   0.0000   1.0353   0.7922  155.916   79.115  155.916   79.115 0.000000 0.000000 
1 1 1    0   50   24 o  300.389   70.341   3.1774   0.9615   4.4813   1.5949   2.4329   1.2051  356.391  100.525  244.387   98.418 0.000000 0.000000 
1 1 1    0   51    1 o  379.970   75.334   4.9999   1.2898   5.8970   1.8214   4.0977   1.8266  433.344   93.140  326.596  118.429 -0.000000 0.000000 
1 1 1    0   51    3 o   94.832   43.745   0.0000   0.5058   0.0000   0.6420   0.0000   0.8214   89.358   58.107  100.305   65.406 -0.000000 0.000000 
1 1 1    0   51    5 o   93.185   60.666   0.0000   0.7025   0.0000   0.0000   0.0000   0.7025   93.185   60.666   93.185   60.666 0.000000 0.000000 
1 1 1    0   51    7 o  851.917   76.633   20.651   3.2940   20.651   3.2940   0.0000   0.0000  851.917   76.633  851.917   76.633 -0.000000 0.000000 
1 1 1    0   51    9 o  422.069   72.735   5.7139   1.3584   4.4710   1.7654   7.5177   2.1268  352.505  110.901  491.633   94.141 -0.000000 0.000000 
1 1 1    0   51   11 o  661.426   53.264   12.984   1.6380   15.121   2.1800   10.213   2.4824  741.688   57.984  581.165   89.366 0.000000 0.000000 
1 1 1    0   51   13 o  147.501   53.385   0.8840   0.5322   1.1480   0.7461   0.6105   0.7593  168.052   77.983  126.950   72.928 -0.000000 0.000000 
1 1 1    0   51   15 o  176.783   56.307   1.2504   0.6024   1.7479   0.8459   0.7386   0.8580  216.860   81.282  136.706   77.942 0.000000 0.000000 
1 1 1    0   51   17 f  156.251   78.920   1.0302   0.7862   1.0302   0.7862   0.0000   0.0000  156.251   78.920  156.251   78.920 0.000000 0.000000 
1 1 1    0   51   19 o  665.636  102.844   14.199   3.2695   14.199   3.2695   0.0000   0.0000  665.636  102.844  665.636  102.844 0.000000 0.000000 
1 1 1    0   51   21 o  349.190   73.968   5.1032   1.2393   6.0000   1.5162   3.2984   2.1511  447.763   71.275  250.617  129.633 -0.000000 0.000000 
1 1 1    0   51   23 o  729.380   56.487   15.158   1.9871   12.722   2.4543   19.795   3.3856  652.518   75.829  806.243   83.745 -0.000000 0.000000 
1 1 1    0   52    0 o  1870.30   79.488   94.806   7.6119   94.806   7.6119   0.0000   0.0000  1870.30   79.488  1870.30   79.488 -0.000000 0.000000 
1 1 1    0   52    2 o  1187.44   59.069   40.564   3.5590   37.681   4.9185   43.732   5.1563  1140.57   84.960  1234.30   82.088 -0.000000 0.000000 
1 1 1    0   52    4 o  248.119   75.680   2.5501   0.9910   2.3923   1.3476   2.7360   1.4623  239.303  104.921  256.935  109.094 -0.000000 0.000000 
1 1 1    0   52    6 o  787.984   61.072   18.348   2.3697   18.133   3.5894   18.514   3.1550  775.185   93.700  800.782   78.355 0.000000 0.000000 
1 1 1    0   52    8 o  128.430   53.881   0.5398   0.6530   0.0000   1.0663   0.8637   0.8260  112.255   73.660  144.604   78.656 0.000000 0.000000 
1 1 1    0   52   10 o  165.536   60.216   1.1632   0.6811   1.4529   0.9244   0.8192   1.0074  186.894   86.799  144.178   83.484 0.000000 0.000000 
1 1 1    0   52   12 o  572.001   53.559   9.4789   1.4698   7.8682   1.9661   11.520   2.2131  511.074   80.889  632.928   70.221 0.000000 0.000000 
1 1 1    0   52   14 o  816.659   64.163   18.740   2.6557   18.740   2.6557   0.0000   0.0000  816.659   64.163  816.659   64.163 0.000000 0.000000 
1 1 1    0   52   16 o  291.231  124.468   3.7939   1.9014   3.7939   1.9014   0.0000   0.0000  291.231  124.468  291.231  124.468 0.000000 0.000000 
1 1 1    0   52   18 o  166.954   55.668   1.0912   0.6343   0.3502   0.8989   1.8258   0.8951  116.330   72.834  217.579   84.208 0.000000 0.000000 
1 1 1    0   52   20 o  121.000   50.848   0.5277   0.5627   0.7240   0.6590   0.0000   1.0808  131.234   70.614  110.766   73.182 -0.000000 0.000000 
1 1 1    0   53    1 o  347.961   77.966   4.5073   1.2607   3.6230   1.7760   5.4056   1.7900  293.323  119.707  402.599   99.925 -0.000000 0.000000 
1 1 1    0   53    3 o  144.337   58.754   0.7978   0.7127   1.1104   1.0198   0.4994   0.9963  160.777   87.416  127.898   78.527 0.000000 0.000000 
1 1 1    0   53    5 o  145.189   56.525   0.7262   0.6881   0.0000   0.9849   1.4185   0.9616  107.907   70.802  182.473   88.133 0.000000 0.000000 
1 1 1    0   53    7 o  370.221   77.058   4.7619   1.2863   3.6162   1.6592   6.4878   2.0365  299.343  114.344  441.099  103.330 -0.000000 0.000000 
1 1 1    0   53    9 o  308.745   78.847   3.7581   1.1500   3.8471   1.5116   3.6359   1.7717  325.645  102.730  291.845  119.642 -0.000000 0.000000 
1 1 1    0   53   11 o  180.266   90.237   1.4262   1.0225   0.0000   0.0000   1.4262   1.0225  180.266   90.237  180.266   90.237 -0.000000 0.000000 
1 1 1    0   53   13 o  101.111   66.350   0.0000   0.8653   0.0000   0.0000   0.0000   0.8653  101.111   66.350  101.111   66.350 -0.000000 0.000000 
1 1 1    0   53   15 o  228.814   60.522   1.5953   0.8189   0.3884   1.0106   3.9030   1.3975  122.000   76.737  335.628   93.613 -0.000000 0.000000 
1 1 1    0   53   17 o  149.985   60.162   0.9804   0.7282   0.6859   1.2261   1.1408   0.9050  139.660   86.379  160.311   83.764 0.000000 0.000000 
1 1 1    0   54    0 o  322.026  113.538   3.7790   1.7071   0.0000   0.0000   3.7790   1.7071  322.026  113.538  322.026  113.538 0.000000 0.000000 
1 1 1    0   54    2 o  489.345   78.593   8.3842   1.7021   4.6934   2.2900   12.940   2.5443  317.291  136.684  661.398   77.620 -0.000000 0.000000 
1 1 1    0   54    4 o  221.823   68.999   2.1147   0.9403   2.9669   1.2922   1.1554   1.3709  279.687   98.856  163.958   96.286 -0.000000 0.000000 
1 1 1    0   54    6 o  266.044  109.905   2.9913   1.4918   2.9913   1.4918   0.0000   0.0000  266.044  109.905  266.044  109.905 0.000000 0.000000 
1 1 1    0   54    8 o  368.820  127.694   5.5245   2.1836   5.5245   2.1836   0.0000   0.0000  368.820  127.694  368.820  127.694 0.000000 0.000000 
1 1 1    0   54   10 o  202.410  101.973   1.9063   1.3106   0.0000   0.0000   1.9063   1.3106  202.410  101.973  202.410  101.973 -0.000000 0.000000 
1 1 1    0   54   12 o  167.533   86.534   1.2531   0.9575   0.0000   0.0000   1.2531   0.9575  167.533   86.534  167.533   86.534 0.000000 0.000000 
1 1 1    0   55    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   55    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   55    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0    3 o  417.290   41.439   4.7456   0.8377   4.5859   1.1849   4.9052   1.1846  409.268   60.110  425.311   57.058 0.000000 0.000000 
1 1 1    1    0    5 o  117.332   39.740   0.5171   0.2796   0.6066   0.3968   0.4289   0.3941  127.750   56.952  106.914   55.438 -0.000000 0.000000 
1 1 1    1    0    7 o  439.457   41.682   5.2417   0.8926   5.0381   1.2673   5.4423   1.2575  429.784   60.875  449.129   56.955 -0.000000 0.000000 
1 1 1    1    0    9 o  3578.68   54.459  330.215   10.015  330.215   10.015   0.0000   0.0000  3578.68   54.459  3578.68   54.459 0.000000 0.000000 
1 1 1    1    0   11 o  3359.13   54.666  290.997   9.4353   0.0000   0.0000  290.997   9.4353  3359.13   54.666  3359.13   54.666 -0.000000 0.000000 
1 1 1    1    0   13 o  2374.46   54.940  145.538   6.6989   0.0000   0.0000  145.538   6.6989  2374.46   54.940  2374.46   54.940 -0.000000 0.000000 
1 1 1    1    0   15 o  1777.28   55.146   81.667   5.0280   81.667   5.0280   0.0000   0.0000  1777.28   55.146  1777.28   55.146 0.000000 0.000000 
1 1 1    1    0   17 o  736.232   56.430   14.228   2.1071   14.228   2.1071   0.0000   0.0000  736.232   56.430  736.232   56.430 0.000000 0.000000 
1 1 1    1    0   19 o  132.595   61.355   0.6626   0.4617   0.0000   0.0000   0.6626   0.4617  132.595   61.355  132.595   61.355 -0.000000 0.000000 
1 1 1    1    0   21 f  134.110   50.936   0.6282   0.3300   0.6282   0.3300   0.0000   0.0000  134.110   50.936  134.110   50.936 0.000000 0.000000 
1 1 1    1    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   25 f  901.233   39.836   21.036   1.8376   0.0000   0.0000   21.036   1.8376  901.233   39.836  901.233   39.836 -0.000000 0.000000 
1 1 1    1    0   27 o  1540.29   39.707   61.198   3.1397   61.198   3.1397   0.0000   0.0000  1540.29   39.707  1540.29   39.707 0.000000 0.000000 
1 1 1    1    0   29 o  1615.87   56.753   67.574   4.7017   67.574   4.7017   0.0000   0.0000  1615.87   56.753  1615.87   56.753 0.000000 0.000000 
1 1 1    1    0   31 o  193.951   55.618   1.1796   0.4808   0.0000   0.0000   1.1796   0.4808  193.951   55.618  193.951   55.618 -0.000000 0.000000 
1 1 1    1    0   33 o   52.576   33.848   0.0000   0.2106   0.0000   0.2106   0.0000   0.0000   52.576   33.848   52.576   33.848 0.000000 0.000000 
1 1 1    1    0   35 o  1466.59   40.431   55.554   3.0433   55.554   3.0433   0.0000   0.0000  1466.59   40.431  1466.59   40.431 0.000000 0.000000 
1 1 1    1    0   37 o  159.986   59.782   0.8893   0.4583   0.0000   0.0000   0.8893   0.4583  159.986   59.782  159.986   59.782 -0.000000 0.000000 
1 1 1    1    0   39 o  542.663   42.249   7.7425   1.1623   0.0000   0.0000   7.7425   1.1623  542.663   42.249  542.663   42.249 -0.000000 0.000000 
1 1 1    1    0   41 o  440.698   43.001   5.1646   0.9530   5.1646   0.9530   0.0000   0.0000  440.698   43.001  440.698   43.001 0.000000 0.000000 
1 1 1    1    0   43 o   99.969   51.624   0.3798   0.3407   0.3798   0.3407   0.0000   0.0000   99.969   51.624   99.969   51.624 0.000000 0.000000 
1 1 1    1    0   45 o  176.866   61.265   1.0625   0.5025   0.0000   0.0000   1.0625   0.5025  176.866   61.265  176.866   61.265 -0.000000 0.000000 
1 1 1    1    0   47 o  432.935   45.130   5.0390   0.9795   0.0000   0.0000   5.0390   0.9795  432.935   45.130  432.935   45.130 -0.000000 0.000000 
1 1 1    1    0   49 o  407.235   47.081   4.5053   0.9514   4.5053   0.9514   0.0000   0.0000  407.235   47.081  407.235   47.081 0.000000 0.000000 
1 1 1    1    0   51 o   63.294   39.647   0.0606   0.2667   0.0000   0.0000   0.0606   0.2667   63.294   39.647   63.294   39.647 -0.000000 0.000000 
1 1 1    1    0   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   55 o  320.249   54.640   2.9463   0.8210   0.0000   0.0000   2.9463   0.8210  320.249   54.640  320.249   54.640 -0.000000 0.000000 
1 1 1    1    0   57 o  147.319   64.723   0.8444   0.5128   0.8444   0.5128   0.0000   0.0000  147.319   64.723  147.319   64.723 0.000000 0.000000 
1 1 1    1    0   59 o  132.508   63.657   0.7141   0.5010   0.0000   0.0000   0.7141   0.5010  132.508   63.657  132.508   63.657 -0.000000 0.000000 
1 1 1    1    1    0 o  233.784   52.846   1.8890   0.5869   2.2694   0.7618   1.3337   0.9204  279.267   60.512  188.302   86.654 -0.000000 0.000000 
1 1 1    1    1    2 o  1323.11   26.582   45.124   1.8064   42.774   2.5535   47.478   2.5558  1288.54   38.546  1357.69   36.615 -69.14966 53.16425 
1 1 1    1    1    4 o  544.257   32.295   7.5236   0.8605   7.2758   1.0573   8.0099   1.4812  531.418   38.698  557.097   51.715 -25.67908 64.59052 
1 1 1    1    1    6 o  1368.53   33.547   48.940   2.2139   50.198   2.7169   46.453   3.8195  1395.90   37.858  1341.15   55.393 54.74133 67.09401 
1 1 1    1    1    8 o  1951.20   33.444   98.876   3.1579  100.224   3.8756   96.212   5.4471  1972.30   38.221  1930.10   54.892 42.19971 66.88799 
1 1 1    1    1   10 o  2386.82   34.087  150.222   3.9094  156.659   4.8050  137.618   6.7237  2465.80   37.903  2307.84   56.668 157.9675 68.17497 
1 1 1    1    1   12 o  1614.59   55.109   67.351   4.5747   67.351   4.5747   0.0000   0.0000  1614.59   55.109  ?   ?       ?      ? 
1 1 1    1    1   14 o  892.841   33.476   20.475   1.4562   20.268   1.7889   20.883   2.5073  886.719   39.239  898.963   54.248 -12.24377 66.95239 
1 1 1    1    1   16 o  1573.75   33.039   62.540   2.5506   59.460   3.1307   68.619   4.3986  1518.34   40.106  1629.16   52.515 -110.8160 66.07806 
1 1 1    1    1   18 o  867.758   33.142   19.011   1.4110   18.007   1.7311   20.998   2.4356  835.107   40.318  900.409   52.613 -65.30261 66.28477 
1 1 1    1    1   20 o  880.128   34.621   20.444   1.4660   21.158   1.8004   19.039   2.5252  904.775   38.704  855.481   57.414 49.29443 69.24191 
1 1 1    1    1   22 o  1758.30   34.261   80.494   2.9161   81.280   3.5773   78.937   5.0346  1773.55   39.232  1743.06   56.180 30.48938 68.52268 
1 1 1    1    1   24 o  1087.75   39.592   30.669   2.2115   28.996   3.1294   32.338   3.1258  1057.86   57.539  1117.64   54.399 -59.77856 79.18329 
1 1 1    1    1   26 o  1757.48   28.039   79.645   2.5332   78.084   3.5782   81.214   3.5867  1740.17   39.995  1774.80   39.308 -34.62683 56.07769 
1 1 1    1    1   28 o  1173.07   28.138   35.485   1.6961   34.011   2.3911   36.977   2.4063  1148.49   40.495  1197.66   39.079 -49.16980 56.27596 
1 1 1    1    1   30 o  974.169   28.343   24.478   1.4193   23.962   2.0078   24.993   2.0066  963.875   40.516  984.464   39.645 -20.58923 56.68575 
1 1 1    1    1   32 o  368.946   29.023   3.5277   0.5473   3.0986   0.7757   3.9529   0.7723  346.424   43.554  391.469   38.372 -45.04559 58.04620 
1 1 1    1    1   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1   36 o  1080.95   28.715   30.222   1.5939   28.437   2.2492   32.022   2.2590  1048.72   41.716  1113.19   39.471 -64.46887 57.42948 
1 1 1    1    1   38 o  141.516   32.103   0.5055   0.2654   0.5646   0.3763   0.4470   0.3745  147.486   45.281  135.547   45.521 11.93851 64.20680 
1 1 1    1    1   40 o  631.306   29.434   10.355   0.9553   10.297   1.3473   10.414   1.3548  629.525   41.628  633.088   41.623 -3.562256 58.86753 
1 1 1    1    1   42 o  598.033   29.736   9.3224   0.9142   9.1247   1.2884   9.5228   1.2972  591.587   42.362  604.479   41.741 -12.89221 59.47182 
1 1 1    1    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1   46 o  133.103   32.415   0.4281   0.2690   0.3945   0.3772   0.4629   0.3836  129.652   45.612  136.554   46.070 -6.901489 64.82994 
1 1 1    1    1   48 o  426.197   31.036   4.8210   0.6751   5.5349   0.9628   4.1304   0.9469  458.140   40.876  394.254   46.714 63.88644 62.07286 
1 1 1    1    1   50 o  591.183   30.554   9.2869   0.9286   9.2184   1.3152   9.3550   1.3114  588.907   43.439  593.460   42.981 -4.553711 61.10885 
1 1 1    1    1   52 o  688.751   30.803   12.670   1.0886   13.741   1.5598   11.652   1.5201  717.899   42.261  659.604   44.825 58.29504 61.60584 
1 1 1    1    1   54 o  230.157   34.249   1.5217   0.4310   2.5896   0.6116   0.4677   0.6076  311.764   38.155  148.550   56.888 163.2138 68.49881 
1 1 1    1    1   56 o  501.617   33.993   6.9603   0.8598   8.5937   1.2330   5.4141   1.1996  562.794   42.612  440.440   52.975 122.3539 67.98640 
1 1 1    1    1   58 o  274.354   38.733   2.2429   0.5381   1.2279   0.7512   3.3131   0.7713  201.688   64.280  347.020   43.232 -145.3324 77.46611 
1 1 1    1    2    1 o  140.009   27.207   0.5389   0.2336   0.0280   0.3825   0.8426   0.2949  102.016   42.916  178.002   33.455 -75.98583 54.41459 
1 1 1    1    2    3 o  1002.73   32.701   26.005   1.5832   25.706   2.7544   26.153   1.9347  997.852   53.689  1007.60   37.347 -9.750854 65.40115 
1 1 1    1    2    5 o  1342.74   26.805   46.450   1.8502   45.692   2.6164   47.209   2.6169  1331.75   38.213  1353.73   37.599 -21.98608 53.60921 
1 1 1    1    2    7 o  2099.47   26.983  113.566   2.9123  112.139   4.1192  114.992   4.1180  2086.25   38.404  2112.68   37.913 -26.42676 53.96530 
1 1 1    1    2    9 o  2799.08   27.165  201.883   3.9091  203.289   5.5192  200.466   5.5376  2808.91   38.218  2789.27   38.615 19.63867 54.33002 
1 1 1    1    2   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   13 o  505.848   33.398   6.5514   0.8213   6.4470   1.0052   6.7608   1.4244  500.141   39.094  511.555   54.161 -11.41452 66.79604 
1 1 1    1    2   15 o  777.949   35.068   16.248   1.2959   17.427   1.5917   13.929   2.2319  822.258   37.651  733.640   59.172 88.61853 70.13506 
1 1 1    1    2   17 o  1102.14   32.745   30.248   1.7754   27.747   2.1744   35.250   3.0751  1036.89   40.789  1167.39   51.236 -130.5005 65.48946 
1 1 1    1    2   19 o  716.263   39.285   13.327   1.4457   12.771   2.0432   13.884   2.0459  701.157   56.681  731.370   54.410 -30.21307 78.56940 
1 1 1    1    2   21 o  1911.76   39.455   95.172   3.8671   86.798   5.4566  103.622   5.4813  1826.23   58.116  1997.29   53.379 -171.0664 78.91042 
1 1 1    1    2   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   25 o  1716.30   33.986   75.493   2.8396   74.273   3.4805   77.924   4.9109  1696.99   39.892  1735.62   55.034 -38.63525 67.97193 
1 1 1    1    2   27 o  1097.83   33.586   30.306   1.8069   28.593   2.2121   33.741   3.1321  1053.02   40.860  1142.65   53.316 -89.62451 67.17261 
1 1 1    1    2   29 o  2546.59   35.897  174.265   4.3464  187.333   5.3466  148.802   7.4633  2695.67   38.578  2397.50   60.549 298.1636 71.79435 
1 1 1    1    2   31 o  866.088   28.362   19.350   1.2627   18.865   1.7803   19.841   1.7910  855.131   40.495  877.046   39.720 -21.91534 56.72347 
1 1 1    1    2   33 o  1442.73   34.769   53.625   2.4345   54.461   4.2196   53.208   2.9806  1449.70   56.614  1435.75   40.378 13.94934 69.53841 
1 1 1    1    2   35 o  794.864   28.720   16.324   1.1734   15.844   1.6542   16.810   1.6646  783.054   41.090  806.673   40.138 -23.61884 57.44078 
1 1 1    1    2   37 o  1345.77   28.721   46.878   1.9854   44.444   2.7969   49.350   2.8189  1310.35   41.517  1381.18   39.697 -70.83362 57.44120 
1 1 1    1    2   39 o  1061.45   28.929   29.231   1.5785   29.661   2.2285   28.799   2.2363  1069.37   40.533  1053.54   41.286 15.83813 57.85770 
1 1 1    1    2   41 o  747.550   29.230   14.542   1.1231   14.292   1.5963   14.788   1.5805  741.052   41.899  754.049   40.768 -12.99701 58.45985 
1 1 1    1    2   43 o  592.356   39.384   9.8311   1.0832   7.8266   1.8871   10.816   1.3228  540.670   67.887  644.043   39.948 -103.3723 78.76852 
1 1 1    1    2   45 o  503.196   30.842   6.6746   0.7887   7.9500   1.1298   5.4620   1.1016  551.148   39.870  455.244   47.068 95.90451 61.68467 
1 1 1    1    2   47 o  470.592   30.128   5.8436   0.7281   6.1269   1.0268   5.5571   1.0327  482.402   41.400  458.783   43.781 23.61902 60.25561 
1 1 1    1    2   49 o  530.992   30.858   7.5261   0.8322   6.1902   1.1721   8.8842   1.1818  481.720   47.325  580.265   39.613 -98.54431 61.71555 
1 1 1    1    2   51 o  468.128   31.024   5.8437   0.7463   6.0624   1.0579   5.6269   1.0530  477.134   43.127  459.122   44.608 18.01175 62.04716 
1 1 1    1    2   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   55 o  226.087   36.212   1.4690   0.4156   1.0966   0.5878   1.8413   0.5877  195.313   55.770  256.860   46.205 -61.54637 72.42425 
1 1 1    1    2   57 o  170.765   37.592   0.8311   0.3742   0.6041   0.5481   1.0293   0.5121  153.005   54.854  188.526   51.416 -35.52051 75.18369 
1 1 1    1    2   59 o  192.138   36.296   1.0912   0.3952   0.5439   0.5643   1.6180   0.5537  147.504   55.199  236.772   47.144 -89.26755 72.59136 
1 1 1    1    3    0 o  1333.93   33.330   46.024   2.2770   43.830   3.2288   48.195   3.2115  1301.96   48.388  1365.89   45.850 0.000000 0.000000 
1 1 1    1    3    2 o  675.601   32.977   11.941   1.0880   11.211   1.8242   12.345   1.3556  658.964   53.844  692.238   38.089 -33.27399 65.95412 
1 1 1    1    3    4 o  259.484   33.154   1.7352   0.4090   1.8730   0.7126   1.6675   0.4994  264.559   54.213  254.410   38.181 10.14812 66.30859 
1 1 1    1    3    6 o  1903.02   26.795   93.305   2.6214   94.584   3.7060   92.024   3.7084  1916.11   37.620  1889.94   38.165 26.16455 53.58978 
1 1 1    1    3    8 o  272.555   27.096   1.9146   0.3795   1.8412   0.5362   1.9883   0.5372  267.307   39.013  277.803   37.613 -10.49579 54.19181 
1 1 1    1    3   10 o  1041.97   38.329   28.041   2.0526   29.032   2.9162   27.068   2.8897  1060.27   53.497  1023.67   54.906 36.60278 76.65892 
1 1 1    1    3   12 o  3400.68   38.700  298.765   6.7655  292.628   9.5381  304.980   9.5978  3365.41   55.126  3435.95   54.332 -70.54468 77.40028 
1 1 1    1    3   14 o  1532.08   27.400   60.505   2.1582   60.680   3.0455   60.328   3.0589  1534.32   38.608  1529.83   38.891 4.488037 54.80030 
1 1 1    1    3   16 o  2160.50   27.596  120.498   3.0610  127.695   4.3262  113.283   4.3318  2225.38   37.812  2095.63   40.205 129.7498 55.19256 
1 1 1    1    3   18 o  948.677   33.067   22.661   1.5371   21.348   1.8812   25.297   2.6662  909.211   40.243  988.142   52.481 -78.93042 66.13423 
1 1 1    1    3   20 o  1653.45   34.781   72.453   2.7583   75.495   3.3852   66.442   4.7580  1709.06   38.527  1597.85   57.919 111.2103 69.56229 
1 1 1    1    3   22 o  497.323   39.592   6.4234   1.0120   6.2236   1.4247   6.6269   1.4378  489.460   56.618  505.186   55.358 -15.72629 79.18371 
1 1 1    1    3   24 o  522.123   39.828   7.0659   1.0668   6.5002   1.5017   7.6423   1.5159  500.869   58.316  543.377   54.261 -42.50848 79.65532 
1 1 1    1    3   26 o  511.848   40.570   6.8068   1.0593   5.8144   1.4932   7.8126   1.5032  473.893   61.285  549.803   53.178 -75.90976 81.14025 
1 1 1    1    3   28 o  1590.72   34.356   65.015   2.6544   64.372   3.2506   66.303   4.5989  1580.08   40.014  1601.36   55.859 -21.27625 68.71204 
1 1 1    1    3   30 o  1020.50   34.668   26.914   1.7133   26.938   2.0976   26.868   2.9700  1022.00   39.920  1019.00   56.691 3.003540 69.33620 
1 1 1    1    3   32 o  838.300   34.254   17.709   1.4040   16.765   1.7155   19.623   2.4433  805.949   41.401  870.652   54.584 -64.70288 68.50848 
1 1 1    1    3   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3   36 o  2350.87   28.701  143.030   3.4611  154.786   4.9111  131.430   4.8784  2447.45   39.030  2254.29   42.092 193.1584 57.40238 
1 1 1    1    3   38 o  1541.47   28.855   61.575   2.2861   59.749   3.2275   63.415   3.2387  1518.37   41.344  1564.58   40.263 -46.21143 57.71026 
1 1 1    1    3   40 o  147.166   31.639   0.5472   0.2697   0.3382   0.3742   0.7731   0.3891  125.042   45.261  169.291   44.221 -44.24888 63.27741 
1 1 1    1    3   42 o  384.318   30.010   3.8519   0.5928   3.9670   0.8411   3.7383   0.8357  390.089   41.939  378.547   42.938 11.54187 60.02090 
1 1 1    1    3   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3   46 o  204.920   34.964   1.1802   0.3657   1.3641   0.4860   0.9401   0.5551  224.003   43.768  185.837   54.538 38.16583 69.92850 
1 1 1    1    3   48 o  638.163   30.303   10.772   0.9931   11.417   1.4108   10.138   1.3981  657.580   41.731  618.747   43.950 38.83221 60.60588 
1 1 1    1    3   50 o  344.746   34.197   3.2588   0.5729   4.1826   0.8196   2.3761   0.8011  397.619   40.091  291.872   55.411 105.7469 68.39368 
1 1 1    1    3   52 o  614.368   30.849   10.097   0.9734   9.6189   1.3793   10.571   1.3740  599.242   44.768  629.493   42.455 -30.25061 61.69791 
1 1 1    1    3   54 o  515.539   32.291   7.1958   0.8553   7.0390   1.2222   7.3462   1.1974  509.466   46.661  521.612   44.650 -12.14651 64.58262 
1 1 1    1    3   56 o  523.009   31.686   7.4647   0.8517   7.7574   1.2139   7.1809   1.1952  533.478   44.258  512.539   45.358 20.93915 63.37285 
1 1 1    1    3   58 o  235.309   39.249   1.6227   0.4666   1.9017   0.6987   1.3980   0.6270  253.888   55.109  216.731   55.902 37.15680 78.49853 
1 1 1    1    4    1 o  1130.89   31.365   32.982   1.8231   32.284   2.5893   33.668   2.5672  1118.97   45.009  1142.80   43.694 -23.83557 62.72954 
1 1 1    1    4    3 o  1669.49   26.822   71.809   2.3019   72.223   3.2359   71.385   3.2753  1674.39   37.590  1664.59   38.271 9.802856 53.64404 
1 1 1    1    4    5 o  554.749   26.521   7.9303   0.7560   8.2214   1.0698   7.6399   1.0686  564.942   36.833  544.556   38.167 20.38550 53.04128 
1 1 1    1    4    7 o  1064.65   26.763   29.203   1.4649   29.221   2.0734   29.184   2.0700  1064.99   37.868  1064.31   37.830 0.6834717 53.52639 
1 1 1    1    4    9 o  576.660   27.178   8.5934   0.8015   7.5471   1.1296   9.6543   1.1375  541.127   40.603  612.193   36.139 -71.06683 54.35654 
1 1 1    1    4   11 o  3418.52   54.360  301.875   9.5541  301.875   9.5541   0.0000   0.0000  3418.52   54.360  ?   ?       ?      ? 
1 1 1    1    4   13 o  1264.83   27.297   41.235   1.7746   42.467   2.5156   40.015   2.5038  1283.67   38.117  1245.99   39.085 37.68237 54.59489 
1 1 1    1    4   15 o  1349.40   27.435   46.967   1.9018   49.205   2.6941   44.744   2.6851  1381.54   37.930  1317.25   39.648 64.29041 54.86919 
1 1 1    1    4   17 o  588.706   27.647   8.9534   0.8350   8.2452   1.1775   9.6696   1.1841  565.182   40.523  612.230   37.620 -47.04785 55.29331 
1 1 1    1    4   19 o  1236.26   27.732   39.497   1.7626   39.035   2.4884   39.962   2.4969  1228.98   39.383  1243.55   39.055 -14.56372 55.46435 
1 1 1    1    4   21 o  1382.72   39.353   49.710   2.7961   51.577   3.9568   47.847   3.9518  1408.94   54.624  1356.50   56.663 52.44324 78.70504 
1 1 1    1    4   23 o  918.017   56.306   21.851   2.6575   21.851   2.6575   0.0000   0.0000  918.017   56.306  ?   ?       ?      ? 
1 1 1    1    4   25 o  764.994   33.785   14.780   1.2644   14.080   1.5477   16.185   2.1925  738.839   40.744  791.149   53.903 -52.31024 67.56961 
1 1 1    1    4   27 o  564.408   40.180   8.2424   1.1642   8.8066   1.6536   7.6878   1.6394  583.672   55.105  545.143   58.492 38.52856 80.36044 
1 1 1    1    4   29 o  1719.02   39.879   76.478   3.5203   72.030   4.9675   80.966   4.9896  1668.49   57.909  1769.56   54.844 -101.0674 79.75782 
1 1 1    1    4   31 o  1245.11   40.422   40.272   2.5702   45.944   3.6548   34.721   3.6152  1332.72   53.340  1157.50   60.750 175.2202 80.84357 
1 1 1    1    4   33 o  704.597   57.516   12.870   2.0835   12.870   2.0835   0.0000   0.0000  704.597   57.516  ?   ?       ?      ? 
1 1 1    1    4   35 f  231.543   38.681   1.5261   0.4428   1.7450   0.5328   1.0377   0.7959  259.902   39.876  203.184   66.294 56.71815 77.36246 
1 1 1    1    4   37 o  896.950   35.048   20.687   1.5273   20.277   1.8669   21.518   2.6557  885.046   41.028  908.855   56.834 -23.80896 70.09574 
1 1 1    1    4   39 o  252.520   32.816   1.7112   0.4105   1.2377   0.5754   2.2021   0.5859  213.606   52.713  291.434   39.102 -77.82790 65.63222 
1 1 1    1    4   41 o  507.164   30.049   6.7445   0.7734   8.0287   1.0991   5.4851   1.0885  555.907   38.458  458.420   46.183 97.48773 60.09877 
1 1 1    1    4   43 o  494.479   43.882   6.5366   1.0896   8.3699   1.5783   4.8674   1.5061  562.974   54.531  425.985   68.767 136.9890 87.76398 
1 1 1    1    4   45 o  431.383   30.299   4.8846   0.6717   5.0752   0.9567   4.6993   0.9434  439.794   42.310  422.971   43.382 16.82352 60.59797 
1 1 1    1    4   47 f  255.012   36.035   1.7835   0.4556   1.6233   0.6270   1.9626   0.6630  242.389   51.884  267.634   50.022 -25.24536 72.07007 
1 1 1    1    4   49 o  747.890   30.466   14.835   1.1707   15.489   1.6618   14.190   1.6496  764.687   42.269  731.094   43.888 33.59216 60.93288 
1 1 1    1    4   51 o  596.602   30.909   9.5006   0.9467   8.9565   1.3422   10.039   1.3353  578.898   45.098  614.306   42.280 -35.40808 61.81775 
1 1 1    1    4   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4   55 o  664.745   31.945   12.026   1.0756   14.695   1.5540   9.5721   1.4901  738.916   40.906  590.574   49.077 148.3421 63.88945 
1 1 1    1    4   57 o  158.919   34.462   0.6839   0.3288   1.0311   0.4671   0.3429   0.4629  189.419   47.926  128.419   49.534 60.99963 68.92387 
1 1 1    1    4   59 o  271.008   35.307   2.1106   0.4788   1.7588   0.6606   2.5000   0.6949  242.936   54.259  299.080   45.192 -56.14383 70.61437 
1 1 1    1    5    0 o  425.898   35.379   4.8638   0.7457   5.0464   1.0518   4.6793   1.0574  434.749   48.615  417.047   51.412 -0.000000 0.000000 
1 1 1    1    5    2 o  291.643   29.737   2.1920   0.4458   2.2514   0.6344   2.1340   0.6266  295.551   41.751  287.735   42.355 7.815369 59.47380 
1 1 1    1    5    4 o  1279.40   26.637   42.163   1.7518   41.043   2.4626   43.310   2.4924  1262.19   37.949  1296.61   37.389 -34.42932 53.27380 
1 1 1    1    5    6 o  455.449   26.543   5.3443   0.6215   5.4265   0.8790   5.2622   0.8788  458.958   37.251  451.939   37.823 7.019104 53.08685 
1 1 1    1    5    8 o  681.150   26.806   11.960   0.9377   12.630   1.3295   11.296   1.3229  700.191   36.931  662.109   38.862 38.08197 53.61142 
1 1 1    1    5   10 o  1229.68   53.977   39.056   3.4125   39.056   3.4125   0.0000   0.0000  1229.68   53.977  ?   ?       ?      ? 
1 1 1    1    5   12 o  2366.51   27.148  144.336   3.3028  146.086   4.6669  142.580   4.6748  2380.92   38.126  2352.09   38.658 28.82959 54.29562 
1 1 1    1    5   14 o  1610.16   27.294   66.838   2.2594   66.170   3.1978   67.504   3.1927  1602.10   38.823  1618.23   38.375 -16.12610 54.58831 
1 1 1    1    5   16 o  1128.06   27.439   32.824   1.5914   32.870   2.2536   32.777   2.2475  1128.85   38.830  1127.26   38.780 1.592407 54.87833 
1 1 1    1    5   18 o  339.491   27.826   2.9796   0.4852   2.8471   0.6887   3.1101   0.6837  331.950   40.356  347.033   38.321 -15.08350 55.65183 
1 1 1    1    5   20 o  1046.69   27.768   28.326   1.4942   27.968   2.1151   28.683   2.1110  1040.05   39.556  1053.34   38.981 -13.29272 55.53519 
1 1 1    1    5   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    5   24 o  654.633   28.089   11.055   0.9453   10.861   1.3362   11.250   1.3374  648.843   40.057  660.423   39.388 -11.57996 56.17818 
1 1 1    1    5   26 o  1031.84   35.378   28.317   1.7483   29.952   2.1523   25.144   2.9975  1077.90   38.838  985.772   59.144 92.12976 70.75600 
1 1 1    1    5   28 o  923.559   36.129   22.997   1.5840   24.869   1.9501   19.365   2.7157  982.208   38.618  864.911   61.073 117.2963 72.25803 
1 1 1    1    5   30 o  554.861   40.323   7.9693   1.1501   8.0738   1.6199   7.8631   1.6332  558.570   56.408  551.152   57.637 7.417908 80.64667 
1 1 1    1    5   32 o  787.386   40.750   16.101   1.6422   17.944   2.3324   14.289   2.3127  832.502   54.493  742.269   60.603 90.23267 81.49994 
1 1 1    1    5   34 o  1773.74   40.437   81.648   3.6871   80.115   5.2129   83.182   5.2157  1756.93   57.710  1790.56   56.657 -33.62378 80.87332 
1 1 1    1    5   36 o  1961.20   34.896   98.723   3.3279   96.664   4.0706  102.872   5.7791  1933.33   40.953  1989.06   56.513 -55.72632 69.79104 
1 1 1    1    5   38 f  1174.89   36.102   36.396   2.0397   37.280   2.4971   34.624   3.5356  1199.38   40.496  1150.41   59.778 48.96838 72.20350 
1 1 1    1    5   40 o  769.492   36.127   15.552   1.3434   15.701   1.6462   15.254   2.3247  777.283   41.194  761.700   59.362 15.58295 72.25480 
1 1 1    1    5   42 o  508.983   29.527   6.7616   0.7711   6.2492   1.0869   7.2810   1.0942  489.292   43.206  528.674   40.258 -39.38123 59.05451 
1 1 1    1    5   44 o  695.723   60.433   12.919   2.1616   12.919   2.1616   0.0000   0.0000  695.723   60.433  ?   ?       ?      ? 
1 1 1    1    5   46 o  604.384   30.255   9.6637   0.9307   8.0889   1.3106   11.266   1.3219  553.323   46.071  655.445   39.229 -102.1218 60.50942 
1 1 1    1    5   48 o  266.897   33.397   1.9402   0.4433   1.5910   0.6269   2.2894   0.6270  239.340   52.400  294.453   41.419 -55.11293 66.79322 
1 1 1    1    5   50 o  268.658   35.910   2.1126   0.4756   1.0140   0.6851   3.1343   0.6607  192.501   61.392  344.814   37.269 -152.3128 71.81919 
1 1 1    1    5   52 f  345.645   32.834   3.2331   0.5772   3.7408   0.8140   2.7199   0.8185  374.414   42.288  316.875   50.240 57.53827 65.66856 
1 1 1    1    5   54 o  348.832   31.773   3.3167   0.5643   2.8981   0.8144   3.7033   0.7826  326.028   48.585  371.635   40.959 -45.60657 63.54641 
1 1 1    1    5   56 o  391.290   33.963   4.2312   0.6784   3.6695   0.9549   4.8036   0.9640  363.234   51.135  419.347   44.711 -56.11288 67.92583 
1 1 1    1    5   58 o  452.545   32.201   5.6858   0.7486   5.4193   1.0533   5.9579   1.0642  441.157   46.440  463.933   44.619 -22.77563 64.40141 
1 1 1    1    6    1 o  765.281   32.572   15.106   1.2814   14.842   1.8147   15.368   1.8095  758.591   46.529  771.971   45.592 -13.37952 65.14336 
1 1 1    1    6    3 o  1057.22   28.573   28.809   1.5528   28.266   2.2003   29.348   2.1917  1047.27   40.865  1067.18   39.945 -19.91235 57.14566 
1 1 1    1    6    5 o  1101.45   26.565   31.248   1.5039   30.242   2.1111   32.285   2.1430  1083.42   37.900  1119.47   37.234 -36.05286 53.12944 
1 1 1    1    6    7 o  1809.86   26.551   84.391   2.4705   84.098   3.4927   84.685   3.4951  1806.70   37.601  1813.01   37.496 -6.307617 53.10204 
1 1 1    1    6    9 o  926.969   37.967   22.200   1.8072   23.629   2.5689   20.800   2.5427  956.628   52.231  897.310   55.117 59.31799 75.93431 
1 1 1    1    6   11 o  356.731   36.299   3.4918   0.5920   2.9167   1.0236   3.7808   0.7257  330.394   62.552  383.068   36.848 -52.67383 72.59822 
1 1 1    1    6   13 o  788.112   27.329   16.039   1.1035   14.444   1.5549   17.657   1.5664  748.474   40.407  827.750   36.807 -79.27502 54.65811 
1 1 1    1    6   15 o  2194.63   27.326  124.208   3.0832  124.231   4.3594  124.185   4.3613  2194.84   38.633  2194.42   38.657 0.4157715 54.65199 
1 1 1    1    6   17 f  925.803   27.631   22.176   1.3099   19.825   1.8471   24.555   1.8580  876.128   41.006  975.477   37.047 -99.34906 55.26296 
1 1 1    1    6   19 o  875.756   27.693   19.846   1.2447   18.489   1.7586   21.209   1.7621  845.550   40.453  905.962   37.831 -60.41156 55.38600 
1 1 1    1    6   21 o  1466.88   39.158   55.889   2.9529   57.023   4.1913   54.772   4.1608  1481.75   55.019  1452.01   55.736 29.73596 78.31669 
1 1 1    1    6   23 o  1289.62   27.905   42.939   1.8485   40.817   2.6120   45.069   2.6165  1257.55   40.400  1321.68   38.505 -64.13123 55.81026 
1 1 1    1    6   25 o  1189.34   28.012   36.475   1.7128   36.764   2.4195   36.186   2.4250  1194.08   39.411  1184.61   39.817 9.470459 56.02354 
1 1 1    1    6   27 o  2038.81   28.130  107.167   2.9485  107.533   4.1720  106.801   4.1678  2042.30   39.733  2035.32   39.829 6.979736 56.25918 
1 1 1    1    6   29 o  299.954   35.675   2.2036   0.5195   1.8336   0.6359   2.9462   0.9009  262.269   48.962  337.639   51.899 -75.37076 71.34975 
1 1 1    1    6   31 o  265.516   37.730   1.8626   0.4761   1.8682   0.5798   1.8509   0.8340  269.049   41.919  261.982   62.746 7.067169 75.46001 
1 1 1    1    6   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6   35 o  1200.63   40.685   37.452   2.5092   39.453   3.5664   35.490   3.5310  1232.67   56.274  1168.59   58.772 64.08032 81.36914 
1 1 1    1    6   37 o  961.284   40.955   24.111   2.0227   23.071   2.8580   25.156   2.8632  940.199   59.124  982.369   56.690 -42.16998 81.91093 
1 1 1    1    6   39 o  476.521   34.955   5.7456   0.8189   5.3577   1.0047   6.5132   1.4133  454.083   43.036  498.960   55.092 -44.87674 69.90923 
1 1 1    1    6   41 o  193.413   37.694   0.9610   0.3738   0.8221   0.4624   1.2231   0.6351  174.872   49.305  211.954   57.030 -37.08223 75.38851 
1 1 1    1    6   43 o  173.523   57.339   0.7670   0.5947   0.7670   0.5947   0.0000   0.0000  173.523   57.339  ?   ?       ?      ? 
1 1 1    1    6   45 o  178.463   32.688   0.8693   0.3026   0.9336   0.4337   0.8083   0.4224  184.707   45.874  172.219   46.578 12.48836 65.37514 
1 1 1    1    6   47 o  902.622   30.242   21.518   1.4008   19.917   1.9709   23.152   1.9912  867.886   44.170  937.358   41.319 -69.47211 60.48370 
1 1 1    1    6   49 o  513.964   30.959   7.0162   0.8152   7.7863   1.1676   6.2837   1.1388  542.185   41.887  485.743   45.599 56.44244 61.91788 
1 1 1    1    6   51 o  374.158   31.901   3.7442   0.6134   3.7465   0.8551   3.7417   0.8803  374.503   44.413  373.813   45.805 0.6895447 63.80118 
1 1 1    1    6   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6   55 o  178.403   34.491   0.8747   0.3447   1.3190   0.5018   0.4777   0.4743  216.257   46.511  140.548   50.944 75.70920 68.98215 
1 1 1    1    6   57 o  283.266   35.008   2.2734   0.4966   2.0604   0.7062   2.4817   0.6984  266.421   53.419  300.111   45.263 -33.68939 70.01634 
1 1 1    1    6   59 o  188.173   35.784   1.0474   0.3538   1.0276   0.5006   1.0671   0.5000  186.344   50.840  190.002   50.373 -3.657410 71.56882 
1 1 1    1    7    0 o  887.177   33.850   20.452   1.5323   19.447   2.1613   21.467   2.1728  864.856   48.967  909.499   46.749 -0.000000 0.000000 
1 1 1    1    7    2 o  1228.99   31.330   38.942   1.9795   39.263   2.8173   38.629   2.7819  1233.99   44.407  1223.99   44.207 9.994751 62.65942 
1 1 1    1    7    4 o  1215.28   27.997   38.089   1.7468   40.501   2.4745   35.693   2.4663  1253.76   38.389  1176.81   40.763 76.94873 55.99424 
1 1 1    1    7    6 o  2285.87   26.616  134.751   3.1249  140.227   4.3913  129.133   4.4479  2333.10   36.609  2238.63   38.646 94.46875 53.23281 
1 1 1    1    7    8 o  1324.80   37.583   45.322   2.5598   45.837   3.6314   44.815   3.6088  1332.28   53.016  1317.31   53.285 14.96887 75.16621 
1 1 1    1    7   10 o  1615.40   38.097   67.415   3.1636   68.551   4.4680   66.273   4.4800  1629.13   53.345  1601.67   54.405 27.45874 76.19386 
1 1 1    1    7   12 o  2497.44   27.023  160.756   3.4696  162.971   4.9152  158.557   4.8984  2514.62   38.019  2480.26   38.414 34.35596 54.04650 
1 1 1    1    7   14 o  1367.55   27.209   48.227   1.9128   49.010   2.7018   47.440   2.7083  1378.72   38.117  1356.38   38.837 22.33484 54.41711 
1 1 1    1    7   16 o  1552.08   27.379   62.164   2.1847   62.504   3.0863   61.823   3.0930  1556.35   38.571  1547.81   38.868 8.539673 54.75808 
1 1 1    1    7   18 o  521.375   27.879   7.0542   0.7420   6.0741   1.0464   8.0455   1.0523  484.611   42.000  558.139   36.673 -73.52817 55.75786 
1 1 1    1    7   20 o  526.571   27.718   7.1718   0.7498   7.4850   1.0584   6.8563   1.0624  538.187   38.251  514.955   40.126 23.23224 55.43685 
1 1 1    1    7   22 o  1143.27   39.518   33.909   2.3206   32.110   3.2737   35.725   3.2899  1112.55   57.234  1173.99   54.507 -61.44324 79.03614 
1 1 1    1    7   24 o  1235.36   27.910   39.356   1.7727   39.499   2.5087   39.214   2.5051  1237.60   39.428  1233.11   39.515 4.487427 55.82072 
1 1 1    1    7   26 o  1331.95   28.037   45.747   1.9194   44.491   2.7138   47.005   2.7151  1313.60   40.183  1350.31   39.109 -36.70618 56.07310 
1 1 1    1    7   28 o  2075.59   28.178  111.108   3.0054  106.738   4.2421  115.512   4.2585  2034.49   40.556  2116.69   39.131 -82.19714 56.35646 
1 1 1    1    7   30 o  527.344   28.905   7.1748   0.7836   7.2425   1.1066   7.1067   1.1099  529.850   40.621  524.838   41.133 5.012268 57.80984 
1 1 1    1    7   32 o  361.822   42.597   3.4449   0.7723   3.8542   1.1105   3.0617   1.0747  385.711   56.002  337.932   64.202 47.77838 85.19468 
1 1 1    1    7   34 o  678.116   34.379   11.637   1.1444   11.048   1.4055   12.796   1.9712  653.845   41.809  702.387   54.587 -48.54138 68.75878 
1 1 1    1    7   36 o  1529.44   40.555   60.900   3.1857   64.501   4.5328   57.385   4.4781  1574.58   55.993  1484.31   58.682 90.26843 81.10928 
1 1 1    1    7   38 o  981.630   41.519   25.347   2.0664   20.327   2.8875   30.616   2.9584  879.895   63.830  1083.36   53.114 -203.4697 83.03826 
1 1 1    1    7   40 o  270.953   44.967   1.9869   0.6233   1.4423   0.8483   2.6257   0.9188  230.916   67.318  310.989   59.636 -80.07375 89.93422 
1 1 1    1    7   42 f  704.611   36.606   13.236   1.2380   13.585   1.5149   12.533   2.1479  721.800   40.823  687.422   60.773 34.37799 73.21163 
1 1 1    1    7   44 o  704.492   43.886   13.377   1.5633   10.581   2.1891   16.287   2.2332  626.011   68.016  782.974   55.476 -156.9632 87.77120 
1 1 1    1    7   46 o  1236.06   29.759   40.236   1.8888   37.881   2.6648   42.614   2.6776  1198.89   43.233  1273.22   40.905 -74.33545 59.51718 
1 1 1    1    7   48 o  432.244   30.442   4.9474   0.6765   5.0049   0.9577   4.8902   0.9557  434.811   42.840  429.677   43.261 5.133423 60.88352 
1 1 1    1    7   50 o  165.908   33.597   0.7591   0.3054   0.8998   0.4204   0.6020   0.4444  180.229   45.395  151.587   49.540 28.64229 67.19373 
1 1 1    1    7   52 f  342.768   48.549   3.4212   0.8368   4.3534   1.1883   2.5044   1.1785  397.123   58.202  288.413   77.720 108.7096 97.09713 
1 1 1    1    7   54 o  509.987   34.102   7.2096   0.8503   4.7023   1.1804   9.9136   1.2258  411.143   55.841  608.830   39.161 -197.6868 68.20421 
1 1 1    1    7   56 o  184.654   35.949   0.9611   0.3635   1.3228   0.5301   0.6402   0.4993  214.911   49.058  154.398   52.560 60.51239 71.89722 
1 1 1    1    7   58 o  178.818   34.061   0.9225   0.3382   1.3140   0.4791   0.5339   0.4774  214.333   44.919  143.302   51.214 71.03072 68.12180 
1 1 1    1    8    1 o  1635.58   26.995   68.929   2.2694   70.909   3.2171   66.968   3.2019  1659.00   37.718  1612.16   38.630 46.84106 53.99009 
1 1 1    1    8    3 o  1822.39   30.382   85.644   2.8458   84.441   4.0554   86.810   3.9944  1809.70   43.587  1835.07   42.338 -25.36865 60.76487 
1 1 1    1    8    5 o  666.433   27.542   11.445   0.9437   11.394   1.3335   11.495   1.3355  664.961   39.007  667.905   38.893 -2.943909 55.08331 
1 1 1    1    8    7 o  1565.37   32.584   63.234   2.4809   63.129   4.2639   63.288   3.0504  1563.51   53.044  1567.23   37.858 -3.717651 65.16797 
1 1 1    1    8    9 o  2542.27   53.336  166.935   6.9713  166.935   6.9713   0.0000   0.0000  2542.27   53.336  ?   ?       ?      ? 
1 1 1    1    8   11 o  1874.11   26.900   90.551   2.5904   94.195   3.6665   86.918   3.6603  1911.87   37.302  1836.36   38.770 75.51282 53.80057 
1 1 1    1    8   13 o  1250.10   27.066   40.289   1.7395   40.886   2.4665   39.697   2.4536  1259.34   38.095  1240.86   38.460 18.48169 54.13276 
1 1 1    1    8   15 o  798.260   27.309   16.453   1.1194   17.376   1.5829   15.529   1.5833  820.766   37.512  775.755   39.699 45.01105 54.61849 
1 1 1    1    8   17 o  1897.16   27.444   92.987   2.6759   90.037   3.7762   95.963   3.7926  1866.80   39.345  1927.51   38.271 -60.71729 54.88761 
1 1 1    1    8   19 o  738.561   27.677   14.111   1.0494   13.199   1.4799   15.034   1.4883  714.420   40.292  762.703   37.954 -48.28284 55.35321 
1 1 1    1    8   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8   23 o  144.932   30.214   0.5493   0.2412   0.4939   0.3407   0.6050   0.3415  138.829   43.159  151.035   42.296 -12.20528 60.42897 
1 1 1    1    8   25 o  1553.94   27.960   62.323   2.2297   66.843   3.1586   57.833   3.1478  1610.32   38.152  1497.57   40.884 112.7557 55.92014 
1 1 1    1    8   27 o  138.993   28.967   0.5024   0.2279   0.6588   0.3151   0.3309   0.3301  156.803   39.197  121.183   42.661 35.62019 57.93402 
1 1 1    1    8   29 o  493.561   28.675   6.2852   0.7269   6.6411   1.0325   5.9355   1.0235  507.457   39.576  479.666   41.505 27.79120 57.34933 
1 1 1    1    8   31 o  224.133   31.815   1.3468   0.3537   1.5028   0.5000   1.1906   0.5005  237.737   42.470  210.528   47.384 27.20932 63.63094 
1 1 1    1    8   33 o  844.408   57.933   18.500   2.5151   18.500   2.5151   0.0000   0.0000  844.408   57.933  ?   ?       ?      ? 
1 1 1    1    8   35 o  393.394   34.918   3.9557   0.6734   3.8328   0.8292   4.1939   1.1542  384.991   41.892  401.797   55.875 -16.80582 69.83537 
1 1 1    1    8   37 o  1967.01   40.595  101.000   4.1027  105.777   5.8324   96.321   5.7721  2013.60   56.338  1920.42   58.462 93.18396 81.18966 
1 1 1    1    8   39 o  1617.59   40.948   68.652   3.4052   67.799   4.8160   69.504   4.8154  1607.34   58.278  1627.84   57.538 -20.50085 81.89591 
1 1 1    1    8   41 o  346.308   45.021   3.2895   0.7691   2.2190   1.0751   4.4120   1.1009  282.689   73.342  409.927   52.234 -127.2376 90.04166 
1 1 1    1    8   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8   45 o  385.672   45.734   4.8015   0.7654   6.0550   0.9458   2.4216   1.3032  480.984   38.246  290.359   83.089 190.6242 91.46894 
1 1 1    1    8   47 o  332.763   39.504   3.0003   0.6159   2.9561   0.7488   3.0927   1.0828  334.336   43.565  331.190   65.911 3.146667 79.00730 
1 1 1    1    8   49 o  786.270   30.298   16.433   1.2189   14.512   1.7107   18.415   1.7372  738.193   45.075  834.347   40.498 -96.15332 60.59561 
1 1 1    1    8   51 o  521.870   30.705   7.2697   0.8235   7.0199   1.1598   7.5237   1.1696  512.566   44.011  531.174   42.829 -18.60822 61.41069 
1 1 1    1    8   53 o  293.413   48.711   2.5490   0.7222   2.5549   1.0228   2.5432   1.0200  293.742   68.913  293.083   68.861 0.6590271 97.42103 
1 1 1    1    8   55 o  237.345   36.257   1.6155   0.4295   1.7380   0.5979   1.4849   0.6174  247.927   48.645  226.764   53.776 21.16368 72.51360 
1 1 1    1    8   57 o  307.847   37.059   2.7248   0.5673   3.1061   0.7963   2.3320   0.8084  334.890   46.251  280.804   57.917 54.08624 74.11837 
1 1 1    1    8   59 o  320.577   38.823   3.1683   0.5937   4.2422   0.8191   1.9795   0.8618  391.886   40.654  249.268   66.151 142.6183 77.64503 
1 1 1    1    9    0 o  639.203   34.381   10.705   1.1142   10.310   1.5716   11.105   1.5799  626.922   49.469  651.484   47.760 -0.000000 0.000000 
1 1 1    1    9    2 o  1252.68   32.231   40.471   2.0755   41.290   2.9444   39.663   2.9262  1265.30   45.263  1240.07   45.897 25.23218 64.46122 
1 1 1    1    9    4 o  693.099   29.643   12.383   1.0562   12.557   1.4984   12.212   1.4891  697.940   41.758  688.258   42.083 9.681824 59.28560 
1 1 1    1    9    6 o  1769.44   33.514   80.596   2.8783   81.337   4.9813   80.225   3.5266  1774.47   54.602  1764.41   38.876 10.05933 67.02755 
1 1 1    1    9    8 o  1551.69   53.102   62.187   4.2363   62.187   4.2363   0.0000   0.0000  1551.69   53.102  ?   ?       ?      ? 
1 1 1    1    9   10 o  513.726   26.797   6.8043   0.7072   6.4915   0.9988   7.1189   1.0015  501.851   38.712  525.602   37.063 -23.75034 53.59370 
1 1 1    1    9   12 o  1139.23   26.961   33.467   1.5784   32.312   2.2315   34.623   2.2329  1119.49   38.771  1158.96   37.475 -39.46497 53.92127 
1 1 1    1    9   14 o  668.625   27.150   11.532   0.9333   11.593   1.3214   11.471   1.3184  670.396   38.338  666.854   38.454 3.541748 54.30064 
1 1 1    1    9   16 o  1132.56   27.444   33.182   1.5932   36.280   2.2593   30.117   2.2469  1185.46   37.069  1079.66   40.479 105.8005 54.88771 
1 1 1    1    9   18 f  2212.25   27.475  126.513   3.1249  126.669   4.4167  126.356   4.4219  2213.64   38.808  2210.87   38.903 2.762939 54.94983 
1 1 1    1    9   20 o  1378.05   39.066   49.314   2.7670   50.738   3.9178   47.897   3.9086  1398.08   54.505  1358.01   55.982 40.06970 78.13299 
1 1 1    1    9   22 o  1080.17   27.983   30.199   1.5451   26.379   2.1771   34.076   2.1932  1010.89   41.890  1149.45   37.112 -138.5656 55.96506 
1 1 1    1    9   24 o  922.647   27.918   21.951   1.3241   22.405   1.8736   21.499   1.8716  932.204   39.092  913.089   39.870 19.11462 55.83679 
1 1 1    1    9   26 o  1209.67   27.948   37.731   1.7377   38.662   2.4562   36.799   2.4588  1224.64   39.011  1194.69   40.032 29.95398 55.89645 
1 1 1    1    9   28 o  823.778   28.170   17.501   1.1929   17.135   1.6862   17.868   1.6878  815.125   40.236  832.432   39.436 -17.30701 56.33991 
1 1 1    1    9   30 o  2517.30   28.230  163.510   3.6521  168.869   5.1693  158.169   5.1605  2558.63   39.297  2475.97   40.539 82.66064 56.45950 
1 1 1    1    9   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    9   34 o  2373.52   28.527  145.556   3.4811  145.478   4.9168  145.635   4.9293  2372.89   40.303  2374.15   40.384 -1.258301 57.05457 
1 1 1    1    9   36 o  618.939   38.046   10.689   1.0990   12.101   1.3599   8.0285   1.8662  683.974   38.671  553.904   65.532 130.0699 76.09153 
1 1 1    1    9   38 o  277.289   39.052   2.0457   0.5194   2.0395   0.6394   2.0579   0.8907  280.127   44.395  274.450   64.259 5.677399 78.10372 
1 1 1    1    9   40 o  1396.12   41.196   51.340   2.9525   54.916   4.1989   47.843   4.1524  1445.21   56.511  1347.03   59.958 98.17285 82.39204 
1 1 1    1    9   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    9   44 o  609.935   43.231   10.005   1.3397   8.2082   1.8725   11.890   1.9177  551.526   66.037  668.345   55.809 -116.8193 86.46107 
1 1 1    1    9   46 o  761.273   43.082   15.713   1.6712   18.271   2.3887   13.262   2.3388  824.857   56.327  697.689   65.203 127.1680 86.16396 
1 1 1    1    9   48 o  644.882   42.908   12.585   1.2404   15.024   1.5397   8.0760   2.0935  754.600   39.688  535.164   76.087 219.4369 85.81647 
1 1 1    1    9   50 o  171.374   37.384   0.6714   0.3436   0.4539   0.4079   1.2027   0.6376  136.207   47.458  206.541   57.775 -70.33449 74.76797 
1 1 1    1    9   52 o  780.386   44.428   17.028   1.7722   19.413   2.5539   14.812   2.4614  836.457   59.386  724.315   66.096 112.1423 88.85641 
1 1 1    1    9   54 o  196.649   37.108   1.1050   0.3818   1.1284   0.5545   1.0839   0.5265  198.454   53.242  194.844   51.704 3.609528 74.21547 
1 1 1    1    9   56 o  420.441   36.778   5.0958   0.7233   3.1817   1.0091   7.1174   1.0371  327.703   62.171  513.179   39.308 -185.4756 73.55528 
1 1 1    1    9   58 o  172.936   37.571   0.9285   0.3890   0.3508   0.7164   1.1700   0.4632  144.491   59.591  201.380   45.776 -56.88876 75.14298 
1 1 1    1   10    1 o  1922.88   27.291   95.280   2.6976   97.434   3.8231   93.145   3.8069  1944.56   38.240  1901.19   38.947 43.36536 54.58238 
1 1 1    1   10    3 o  2106.17   39.210  115.476   3.9538  112.183   6.9575  117.046   4.8051  2081.86   65.003  2130.49   43.869 -48.62207 78.42062 
1 1 1    1   10    5 o  1860.83   58.711   89.520   5.6169   89.520   5.6169   0.0000   0.0000  1860.83   58.711  ?   ?       ?      ? 
1 1 1    1   10    7 o  1797.06   53.860   83.425   4.9762   83.425   4.9762   0.0000   0.0000  1797.06   53.860  ?   ?       ?      ? 
1 1 1    1   10    9 o  820.033   26.800   17.340   1.1292   17.908   1.5905   16.763   1.6036  833.621   37.110  806.445   38.677 27.17627 53.60063 
1 1 1    1   10   11 o  1356.95   26.805   47.467   1.8701   47.685   2.6453   47.248   2.6441  1360.08   37.830  1353.82   37.987 6.260620 53.61087 
1 1 1    1   10   13 f  1203.26   27.037   37.354   1.6716   35.860   2.3608   38.856   2.3673  1179.06   38.946  1227.47   37.512 -48.40833 54.07300 
1 1 1    1   10   15 o  1695.77   27.206   74.265   2.3703   77.679   3.3611   70.888   3.3432  1734.70   37.687  1656.85   39.247 77.84583 54.41203 
1 1 1    1   10   17 o  289.124   28.144   2.1737   0.4141   1.8135   0.5835   2.5392   0.5879  264.719   42.875  313.528   36.469 -48.80890 56.28753 
1 1 1    1   10   19 o  700.019   33.244   12.460   1.1356   13.431   1.9730   11.979   1.3887  719.274   53.353  680.765   39.676 38.50848 66.48851 
1 1 1    1   10   21 o  1878.07   39.347   91.438   3.7970   94.980   5.3673   87.890   5.3722  1914.79   54.521  1841.35   56.747 73.43604 78.69442 
1 1 1    1   10   23 o  2538.90   27.808  166.221   3.6298  166.486   5.1326  165.955   5.1339  2540.93   39.290  2536.86   39.362 4.072510 55.61520 
1 1 1    1   10   25 o  478.470   28.326   5.9094   0.6956   6.3043   0.9834   5.5139   0.9841  494.536   38.677  462.404   41.394 32.13126 56.65154 
1 1 1    1   10   27 o  1951.94   28.041   98.239   2.8140   98.279   3.9769   98.198   3.9823  1952.35   39.620  1951.53   39.691 0.8201904 56.08117 
1 1 1    1   10   29 o  1516.79   28.206   59.352   2.1991   60.659   3.1090   58.044   3.1111  1533.56   39.432  1500.02   40.341 33.53650 56.41197 
1 1 1    1   10   31 o  1484.05   39.916   57.065   3.0454   57.415   4.2982   56.713   4.3155  1488.68   56.159  1479.43   56.738 9.251953 79.83100 
1 1 1    1   10   33 o  1047.29   28.633   28.339   1.5404   26.875   2.1689   29.830   2.1882  1019.86   41.364  1074.71   39.602 -54.84686 57.26514 
1 1 1    1   10   35 o  637.214   28.917   10.503   0.9474   10.470   1.3373   10.537   1.3422  636.201   40.885  638.227   40.905 -2.025696 57.83463 
1 1 1    1   10   37 o  455.434   29.630   5.3967   0.6889   6.1823   0.9809   4.6318   0.9678  488.517   39.055  422.351   44.570 66.16623 59.26050 
1 1 1    1   10   39 o  575.740   35.523   8.4894   0.9990   8.1287   1.2224   9.2148   1.7334  559.021   42.532  592.459   56.909 -33.43823 71.04648 
1 1 1    1   10   41 o  794.411   41.588   16.701   1.6934   15.104   2.3753   18.351   2.4149  754.852   61.205  833.969   56.323 -79.11688 83.17695 
1 1 1    1   10   43 o  273.246   64.606   2.0785   0.8933   0.0000   0.0000   2.0785   0.8933  ?   ?   273.246   64.606      ?      ? 
1 1 1    1   10   45 o  130.297   35.549   0.2404   0.3476   0.0000   0.4654   0.5435   0.5226  109.042   46.658  151.551   53.648 -42.50931 71.09888 
1 1 1    1   10   47 f  823.497   42.726   18.429   1.8085   17.864   2.5348   19.014   2.5809  810.341   60.842  836.653   60.001 -26.31232 85.45119 
1 1 1    1   10   49 o  507.230   47.368   8.1380   1.0232   10.069   1.2811   4.7355   1.7004  616.769   40.401  397.692   85.691 219.0768 94.73698 
1 1 1    1   10   51 o  325.456   44.906   3.3230   0.6749   3.9003   0.8254   2.1578   1.1725  382.499   41.971  268.412   79.401 114.0867 89.81154 
1 1 1    1   10   53 o  748.934   44.631   15.878   1.7163   16.681   2.4244   15.072   2.4302  769.918   61.247  727.951   64.934 41.96655 89.26129 
1 1 1    1   10   55 o  220.707   42.440   1.4509   0.4748   1.3331   0.8559   1.5033   0.5707  211.971   68.726  229.443   49.811 -17.47215 84.87903 
1 1 1    1   10   57 o  247.128   41.673   1.9296   0.5209   1.3837   0.9087   2.1969   0.6357  211.928   70.910  282.329   43.799 -70.40129 83.34614 
1 1 1    1   11    0 o  1398.66   40.537   49.391   2.7651   46.690   3.3832   54.823   4.7986  1343.69   49.123  1453.62   64.497 -0.000000 0.000000 
1 1 1    1   11    2 o  2175.85   46.231  122.664   5.1649  120.340   7.4558  124.808   7.1616  2155.58   67.277  2196.13   63.428 -40.55200 92.46211 
1 1 1    1   11    4 o  2675.13   43.592  184.549   5.9955  184.549   5.9955   0.0000   0.0000  2675.13   43.592  ?   ?       ?      ? 
1 1 1    1   11    6 o  2463.66   41.538  157.587   5.2360  165.264   7.1779  148.856   7.6547  2528.90   55.208  2398.42   62.077 130.4751 83.07507 
1 1 1    1   11    8 o  1180.15   27.238   35.900   1.6525   36.062   2.3250   35.736   2.3493  1182.85   38.231  1177.45   38.809 5.401978 54.47676 
1 1 1    1   11   10 o  923.443   26.883   21.981   1.2761   21.400   1.7946   22.575   1.8149  911.080   38.313  935.807   37.721 -24.72748 53.76593 
1 1 1    1   11   12 o  2307.11   26.901  137.310   3.1898  141.369   4.5110  133.251   4.5110  2341.33   37.475  2272.90   38.603 68.43530 53.80136 
1 1 1    1   11   14 o  707.065   27.114   12.906   0.9857   12.891   1.3934   12.922   1.3945  706.640   38.354  707.489   38.337 -0.8488770 54.22860 
1 1 1    1   11   16 o  770.556   27.300   15.357   1.0800   16.315   1.5297   14.405   1.5251  794.655   37.441  746.457   39.741 48.19775 54.59987 
1 1 1    1   11   18 o  132.790   27.116   0.4454   0.2051   0.6664   0.2978   0.2460   0.2829  157.478   37.351  108.101   39.318 49.37615 54.23161 
1 1 1    1   11   20 o  1951.01   55.154   98.683   5.5322   98.683   5.5322   0.0000   0.0000  1951.01   55.154  ?   ?       ?      ? 
1 1 1    1   11   22 o  275.363   28.513   1.9567   0.4033   1.8488   0.5686   2.0659   0.5720  267.698   41.311  283.028   39.311 -15.33011 57.02578 
1 1 1    1   11   24 o  1164.25   27.941   34.982   1.6696   32.577   2.3585   37.398   2.3638  1123.99   40.814  1204.52   38.170 -80.52234 55.88131 
1 1 1    1   11   26 o  502.100   28.494   6.5172   0.7322   5.7758   1.0322   7.2678   1.0387  473.207   42.428  530.994   38.046 -57.78705 56.98790 
1 1 1    1   11   28 o  986.476   28.249   25.117   1.4306   23.464   2.0174   26.789   2.0289  953.700   41.145  1019.25   38.717 -65.55115 56.49721 
1 1 1    1   11   30 o  825.580   35.659   18.068   1.4136   16.342   2.4245   18.958   1.7400  793.989   59.393  857.171   39.483 -63.18268 71.31886 
1 1 1    1   11   32 o  2173.26   40.363  122.520   4.5095  120.804   6.3747  124.239   6.3802  2157.90   57.459  2188.63   56.701 -30.72632 80.72527 
1 1 1    1   11   34 o  407.553   29.613   4.2965   0.6203   4.2006   0.8816   4.3905   0.8728  403.011   42.549  412.096   41.197 -9.084686 59.22519 
1 1 1    1   11   36 o  721.050   28.879   13.470   1.0704   13.233   1.5166   13.705   1.5110  714.674   41.276  727.427   40.402 -12.75275 57.75857 
1 1 1    1   11   38 o  1452.39   28.918   54.781   2.1590   53.781   3.0565   55.777   3.0502  1439.01   41.314  1465.78   40.475 -26.76501 57.83621 
1 1 1    1   11   40 o  1582.06   35.828   65.935   2.7396   66.605   3.3585   64.603   4.7363  1599.47   40.841  1564.64   58.879 34.83704 71.65664 
1 1 1    1   11   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   11   44 o  512.739   43.366   7.0799   1.1390   6.4108   1.6111   7.7483   1.6104  487.366   64.298  538.112   58.209 -50.74701 86.73248 
1 1 1    1   11   46 o  568.963   43.540   8.7913   1.2725   8.3741   1.7984   9.2096   1.8007  554.703   63.061  583.223   60.052 -28.52057 87.07988 
1 1 1    1   11   48 o  453.084   44.390   5.6462   1.0225   6.6990   1.4693   4.6577   1.4237  496.422   57.571  409.746   67.582 86.67584 88.77937 
1 1 1    1   11   50 o  990.516   43.691   27.130   2.2222   25.494   3.1217   28.811   3.1642  958.451   63.351  1022.58   60.186 -64.12909 87.38233 
1 1 1    1   11   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   11   54 o  469.099   49.274   6.4532   1.1329   8.2079   1.6591   4.9204   1.5506  538.225   59.958  399.974   78.209 138.2517 98.54727 
1 1 1    1   11   56 o  365.721   33.938   3.7252   0.6348   4.0872   0.8916   3.3528   0.9041  385.451   44.990  345.991   50.825 39.46017 67.87691 
1 1 1    1   11   58 o  240.565   37.566   1.6997   0.4545   1.3135   0.6162   2.1603   0.6730  208.493   56.210  272.637   49.852 -64.14384 75.13198 
1 1 1    1   12    1 o  2286.84   40.963  133.718   4.5600  130.692   5.5805  139.797   7.9101  2250.33   48.235  2323.35   66.222 -73.01660 81.92603 
1 1 1    1   12    3 o  525.728   63.750   7.1547   1.7231   7.1547   1.7231   0.0000   0.0000  525.728   63.750  ?   ?       ?      ? 
1 1 1    1   12    5 o  1128.33   35.915   32.289   1.9846   34.785   3.4221   31.024   2.4361  1159.88   57.386  1096.77   43.202 63.10950 71.83035 
1 1 1    1   12    7 o  622.213   28.305   9.9821   0.9055   10.065   1.2802   9.8994   1.2808  624.797   39.855  619.629   40.204 5.168213 56.61087 
1 1 1    1   12    9 o  1228.71   27.269   38.919   1.7224   37.948   2.4185   39.918   2.4535  1213.15   38.775  1244.28   38.353 -31.12891 54.53897 
1 1 1    1   12   11 o  2465.27   26.963  156.785   3.4169  159.045   4.8126  154.489   4.8520  2483.27   37.695  2447.26   38.563 36.01343 53.92627 
1 1 1    1   12   13 o  1002.92   27.007   25.965   1.3925   25.620   1.9654   26.313   1.9732  996.206   38.373  1009.64   38.014 -13.43231 54.01420 
1 1 1    1   12   15 o  301.385   27.980   2.3611   0.4299   2.0089   0.6079   2.7134   0.6079  278.653   42.433  324.118   36.483 -45.46533 55.95985 
1 1 1    1   12   17 o  331.476   27.511   2.8405   0.4687   2.7780   0.6642   2.9025   0.6616  327.821   39.406  335.131   38.400 -7.309448 55.02133 
1 1 1    1   12   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12   21 o  2247.73   27.576  130.319   3.1860  126.968   4.5002  133.686   4.5114  2218.68   39.452  2276.78   38.540 -58.10962 55.15240 
1 1 1    1   12   23 o  564.922   28.003   8.2345   0.8117   8.8809   1.1534   7.6002   1.1426  586.963   38.220  542.883   40.937 44.07996 56.00562 
1 1 1    1   12   25 o  1815.74   27.961   85.017   2.6088   81.646   3.6812   88.419   3.6977  1779.48   40.238  1852.01   38.835 -72.53003 55.92138 
1 1 1    1   12   27 o  754.802   28.194   14.715   1.0914   13.526   1.5428   15.907   1.5442  724.133   41.441  785.471   38.239 -61.33752 56.38790 
1 1 1    1   12   29 o  1208.97   28.248   37.720   1.7548   39.286   2.4856   36.164   2.4776  1234.08   39.176  1183.87   40.706 50.21240 56.49553 
1 1 1    1   12   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12   33 o  894.688   28.566   20.683   1.3140   20.661   1.8545   20.704   1.8619  894.231   40.338  895.145   40.458 -0.9146729 57.13117 
1 1 1    1   12   35 o  1546.89   28.672   61.944   2.2797   60.297   3.2201   63.598   3.2278  1526.15   41.040  1567.63   40.050 -41.47925 57.34335 
1 1 1    1   12   37 o  207.261   34.004   1.1575   0.3598   0.8434   0.4979   1.5010   0.5206  177.926   51.489  236.595   44.431 -58.66898 68.00856 
1 1 1    1   12   39 o  780.775   29.274   15.861   1.1751   15.712   1.6579   16.012   1.6658  777.061   41.497  784.489   41.301 -7.427490 58.54757 
1 1 1    1   12   41 o  778.952   41.648   16.089   1.6647   17.343   2.3694   14.867   2.3395  809.715   56.916  748.190   60.819 61.52490 83.29695 
1 1 1    1   12   43 o  1549.65   35.271   61.735   2.6748   58.098   3.2707   69.080   4.6479  1488.19   42.748  1611.10   56.113 -122.9141 70.54141 
1 1 1    1   12   45 o  373.812   45.703   3.8587   0.8566   4.1254   1.1995   3.5811   1.2237  391.110   59.652  356.513   69.258 34.59714 91.40580 
1 1 1    1   12   47 o  181.727   41.653   0.8659   0.4571   1.1482   0.6415   0.5748   0.6515  203.009   58.356  160.444   59.452 42.56511 83.30631 
1 1 1    1   12   49 o  207.362   43.242   1.2095   0.5032   0.8976   0.7264   1.4973   0.6978  185.030   63.393  229.694   58.828 -44.66458 86.48367 
1 1 1    1   12   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12   53 o  174.360   41.506   0.7108   0.4551   1.2955   0.7212   0.3240   0.5866  211.076   62.222  137.643   54.951 73.43221 83.01289 
1 1 1    1   12   55 o  206.538   41.364   1.2357   0.4492   1.1691   0.5692   1.3458   0.7315  200.478   54.007  212.598   62.667 -12.12004 82.72796 
1 1 1    1   12   57 o  284.859   35.917   2.3508   0.5070   2.7991   0.7124   1.8904   0.7219  318.291   43.531  251.428   57.143 66.86363 71.83479 
1 1 1    1   13    0 o  1147.75   48.873   34.473   2.8479   37.728   4.0153   31.177   4.0398  1203.94   65.309  1091.57   72.726 -0.000000 0.000000 
1 1 1    1   13    2 o  2038.88   38.199  108.052   3.4869  106.131   6.8780  108.716   4.0453  2023.97   66.098  2053.79   38.311 -29.82019 76.39834 
1 1 1    1   13    4 o  680.966   37.414   11.640   1.2510   13.121   2.1640   10.896   1.5331  712.135   59.105  649.797   45.889 62.33856 74.82835 
1 1 1    1   13    6 o  1893.11   29.576   92.446   2.8778   95.311   4.0811   89.613   4.0587  1922.37   41.293  1863.86   42.355 58.50830 59.15248 
1 1 1    1   13    8 o  913.387   28.143   21.531   1.3200   20.227   1.8618   22.847   1.8716  885.499   40.896  941.275   38.675 -55.77606 56.28697 
1 1 1    1   13   10 o  1323.35   27.308   45.174   1.8573   43.556   2.6106   46.834   2.6431  1299.29   39.081  1347.41   38.154 -48.12122 54.61693 
1 1 1    1   13   12 o  321.665   27.400   2.6758   0.4511   2.3654   0.6330   2.9962   0.6431  302.604   40.686  340.725   36.710 -38.12088 54.79938 
1 1 1    1   13   14 o  637.491   27.180   10.507   0.8902   10.990   1.2600   10.026   1.2577  652.191   37.577  622.791   39.281 29.40063 54.36015 
1 1 1    1   13   16 o  1310.99   27.276   44.422   1.8383   45.129   2.6010   43.717   2.5985  1321.46   38.284  1300.52   38.862 20.94165 54.55236 
1 1 1    1   13   18 o  145.342   49.964   0.4977   0.4514   0.4977   0.4514   0.0000   0.0000  145.342   49.964  ?   ?       ?      ? 
1 1 1    1   13   20 o  293.583   35.002   2.1935   0.4888   2.4881   0.8570   2.0515   0.5951  305.207   56.706  281.960   41.051 23.24619 70.00477 
1 1 1    1   13   22 o  1297.21   27.673   43.392   1.8451   44.608   2.6103   42.178   2.6084  1315.42   38.597  1278.99   39.668 36.43237 55.34696 
1 1 1    1   13   24 o  416.588   28.703   4.5057   0.6079   5.2921   0.8615   3.7257   0.8579  453.153   36.976  380.022   43.912 73.13049 57.40648 
1 1 1    1   13   26 o  3661.66   27.953  345.726   5.2623  348.155   7.4468  343.303   7.4372  3674.54   39.418  3648.77   39.645 25.76196 55.90675 
1 1 1    1   13   28 o  798.839   28.265   16.465   1.1607   16.132   1.6439   16.795   1.6389  790.767   40.435  806.910   39.507 -16.14343 56.53082 
1 1 1    1   13   30 o  1562.49   56.459   63.264   4.5355   63.264   4.5355   0.0000   0.0000  1562.49   56.459  ?   ?       ?      ? 
1 1 1    1   13   32 o  3956.20   28.364  404.325   5.7688  399.244   8.1575  409.407   8.1591  3931.22   40.361  3981.18   39.862 -49.96167 56.72725 
1 1 1    1   13   34 f  827.466   28.825   17.738   1.2213   15.765   1.7139   19.774   1.7407  780.387   42.716  874.545   38.715 -94.15784 57.65024 
1 1 1    1   13   36 o  852.695   28.928   18.853   1.2674   19.762   1.8026   17.964   1.7822  873.162   40.154  832.229   41.654 40.93372 57.85681 
1 1 1    1   13   38 o  1143.01   29.097   33.969   1.7084   32.217   2.4071   35.747   2.4252  1113.03   42.066  1173.00   40.214 -59.97131 58.19493 
1 1 1    1   13   40 o  811.781   29.303   17.185   1.2223   16.445   1.7231   17.935   1.7340  793.966   42.213  829.595   40.655 -35.62921 58.60658 
1 1 1    1   13   42 o  1112.09   42.311   32.984   2.4153   35.390   3.4417   30.649   3.3903  1153.23   58.047  1070.94   61.575 82.28467 84.62229 
1 1 1    1   13   44 o  278.914   39.226   1.9631   0.5112   1.6413   0.6105   2.7180   0.9352  244.579   50.236  313.249   60.257 -68.67059 78.45102 
1 1 1    1   13   46 o  738.442   38.020   14.904   1.3390   15.398   1.6351   13.899   2.3328  763.708   41.643  713.175   63.624 50.53278 76.04056 
1 1 1    1   13   48 o  374.726   49.252   4.1327   0.9055   2.3577   1.2798   5.9125   1.2815  281.688   82.846  467.765   53.286 -186.0773 98.50323 
1 1 1    1   13   50 o  560.459   44.294   8.7361   1.2694   7.6713   1.7764   9.8472   1.8145  523.181   66.042  597.737   59.046 -74.55573 88.58835 
1 1 1    1   13   52 o  615.429   44.774   10.701   1.4157   11.170   2.0088   10.238   1.9954  629.942   62.025  600.915   64.589 29.02698 89.54781 
1 1 1    1   13   54 o  197.557   39.638   1.0275   0.5119   0.0000   0.7353   1.9939   0.7131  132.004   57.564  263.109   54.508 -131.1054 79.27654 
1 1 1    1   13   56 o  184.254   37.588   1.0366   0.4183   1.4542   0.5297   0.3448   0.6819  225.333   47.236  143.174   58.484 82.15894 75.17696 
1 1 1    1   13   58 o  109.667   31.672   0.1279   0.2757   0.0000   0.3441   0.3574   0.4610   91.660   39.676  127.675   49.379 -36.01514 63.34424 
1 1 1    1   14    1 o  1778.28   30.866   81.518   2.7665   81.941   4.3716   81.236   3.5729  1781.49   47.730  1775.08   39.150 6.407471 61.73227 
1 1 1    1   14    3 o  1133.31   32.781   33.155   1.9100   33.289   2.7139   33.023   2.6886  1135.58   46.485  1131.05   46.235 4.525391 65.56299 
1 1 1    1   14    5 o  1182.62   30.962   36.089   1.8823   36.887   2.6782   35.311   2.6460  1195.56   43.572  1169.69   44.000 25.86389 61.92359 
1 1 1    1   14    7 o  558.856   29.465   8.0665   0.8454   7.5600   1.1944   8.5749   1.1966  541.196   42.927  576.516   40.373 -35.31952 58.92941 
1 1 1    1   14    9 o  764.627   27.999   15.092   1.1003   15.535   1.5567   14.649   1.5555  775.899   39.023  753.354   40.162 22.54590 55.99798 
1 1 1    1   14   11 o  802.530   27.417   16.634   1.1311   16.726   1.5922   16.541   1.6073  804.781   38.481  800.279   39.065 4.501343 54.83438 
1 1 1    1   14   13 o  1045.36   27.238   28.264   1.4626   29.524   2.0624   26.988   2.0744  1068.97   37.526  1021.74   39.490 47.23157 54.47601 
1 1 1    1   14   15 o  1521.06   27.164   59.793   2.1243   59.776   3.0003   59.810   3.0081  1520.86   38.371  1521.27   38.461 -0.4123535 54.32818 
1 1 1    1   14   17 o  1576.13   54.646   64.437   4.4281   64.437   4.4281   0.0000   0.0000  1576.13   54.646  ?   ?       ?      ? 
1 1 1    1   14   19 o  2048.50   34.036  109.508   3.3591  105.366   5.8258  111.570   4.1112  2017.24   56.173  2079.77   38.449 -62.53125 68.07196 
1 1 1    1   14   21 o  997.269   33.975   25.881   1.6389   26.285   2.0117   25.083   2.8262  1009.72   38.751  984.816   55.818 24.90601 67.95042 
1 1 1    1   14   23 o  1710.34   27.703   75.446   2.4343   78.769   3.4436   72.126   3.4416  1748.11   38.315  1672.57   40.022 75.53833 55.40592 
1 1 1    1   14   25 o  764.066   34.229   15.063   1.2680   15.114   2.1960   15.037   1.5530  764.472   55.873  763.660   39.555 0.8124390 68.45721 
1 1 1    1   14   27 o  1629.66   28.170   68.586   2.3546   62.912   3.3193   74.333   3.3406  1561.52   41.345  1697.80   38.271 -136.2738 56.33920 
1 1 1    1   14   29 o  1606.97   33.625   64.820   2.6462   73.019   4.6034   60.774   3.2340  1679.52   53.312  1534.42   40.995 145.0994 67.25099 
1 1 1    1   14   31 o  1450.36   40.461   54.593   3.0169   55.074   4.2615   54.110   4.2716  1456.84   56.896  1443.88   57.543 12.96204 80.92140 
1 1 1    1   14   33 o  920.893   28.701   21.929   1.3585   22.600   1.9250   21.264   1.9173  934.988   40.046  906.797   41.125 28.19165 57.40182 
1 1 1    1   14   35 o  507.548   29.496   6.6785   0.7695   6.7957   1.0842   6.5596   1.0924  512.088   41.179  503.008   42.242 9.080414 58.99249 
1 1 1    1   14   37 o  752.553   29.182   14.726   1.1270   15.779   1.5968   13.680   1.5910  779.663   39.835  725.443   42.656 54.22015 58.36458 
1 1 1    1   14   39 o  966.532   29.172   24.331   1.4496   24.081   2.0440   24.583   2.0560  961.520   41.348  971.545   41.162 -10.02466 58.34315 
1 1 1    1   14   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   14   43 o  797.754   29.690   16.718   1.2168   17.373   1.7161   16.056   1.7256  813.856   41.013  781.652   42.940 32.20435 59.37954 
1 1 1    1   14   45 o  526.375   30.229   7.3089   0.8177   7.0294   1.1408   7.6042   1.1727  515.952   43.007  536.799   42.493 -20.84723 60.45846 
1 1 1    1   14   47 o  1067.86   36.457   30.017   1.8931   28.726   2.3079   32.672   3.3099  1040.53   43.141  1095.20   58.783 -54.66211 72.91489 
1 1 1    1   14   49 o  260.231   48.782   1.9721   0.6745   2.4249   0.9534   1.5187   0.9542  290.170   65.467  230.292   72.339 59.87852 97.56492 
1 1 1    1   14   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   14   53 o  117.400   34.445   0.1020   0.3200   0.0000   0.3855   0.3281   0.5740   98.121   42.235  136.679   54.424 -38.55750 68.88921 
1 1 1    1   14   55 o  182.143   39.171   0.8005   0.4724   1.7002   0.6885   0.0000   0.6494  240.241   56.665  124.045   54.097 116.1966 78.34158 
1 1 1    1   14   57 o  671.535   38.760   12.522   1.2708   11.416   1.5458   14.828   2.2319  637.389   47.171  705.681   61.516 -68.29224 77.52013 
1 1 1    1   15    0 o  844.584   34.526   18.585   1.4839   17.065   2.0901   20.131   2.1072  808.953   50.710  880.216   46.867 -0.000000 0.000000 
1 1 1    1   15    2 o  879.281   27.570   19.943   1.2460   19.515   1.7661   20.368   1.7583  869.843   39.491  888.720   38.482 -18.87762 55.13996 
1 1 1    1   15    4 o  948.990   32.233   23.257   1.5726   23.309   2.2338   23.206   2.2143  950.026   45.734  947.954   45.433 2.071716 64.46529 
1 1 1    1   15    6 o  1054.46   30.646   28.723   1.6607   27.943   2.3572   29.492   2.3402  1040.16   44.078  1068.76   42.589 -28.60706 61.29218 
1 1 1    1   15    8 o  1392.24   29.014   50.058   2.0768   50.279   2.9395   49.838   2.9346  1395.31   40.976  1389.16   41.089 6.146851 58.02831 
1 1 1    1   15   10 o  1268.05   27.986   41.590   1.8218   44.102   2.5731   39.064   2.5798  1306.70   38.302  1229.41   40.815 77.29211 55.97230 
1 1 1    1   15   12 o  1745.65   27.505   78.779   2.4662   74.305   3.4670   83.362   3.5087  1695.24   39.778  1796.05   37.998 -100.8024 55.01086 
1 1 1    1   15   14 o  1056.12   27.285   28.824   1.4815   28.525   2.0864   29.128   2.1039  1050.60   38.626  1061.65   38.546 -11.05017 54.56937 
1 1 1    1   15   16 o  1458.93   38.687   55.231   2.8994   52.483   4.0895   58.008   4.1112  1422.14   55.932  1495.72   53.462 -73.58276 77.37317 
1 1 1    1   15   18 o  1995.17   38.978  103.118   3.9940  108.596   5.6516   97.654   5.6452  2048.49   53.662  1941.84   56.545 106.6549 77.95504 
1 1 1    1   15   20 o  1255.58   27.556   40.660   1.7775   42.574   2.5191   38.763   2.5084  1285.09   38.127  1226.06   39.794 59.02991 55.11103 
1 1 1    1   15   22 o  3302.89   27.615  281.223   4.6893  281.365   6.6333  281.080   6.6302  3303.72   39.053  3302.05   39.055 1.672852 55.23045 
1 1 1    1   15   24 o  930.141   27.833   22.310   1.3304   21.483   1.8768   23.144   1.8862  912.778   39.994  947.504   38.720 -34.72540 55.66647 
1 1 1    1   15   26 o  1083.48   28.046   30.295   1.5607   31.964   2.2111   28.638   2.2031  1113.33   38.630  1053.64   40.670 59.69092 56.09191 
1 1 1    1   15   28 o  1033.00   28.268   27.536   1.5013   27.414   2.1232   27.659   2.1231  1030.69   40.067  1035.31   39.886 -4.621948 56.53558 
1 1 1    1   15   30 o  1317.51   57.043   45.025   3.8639   45.025   3.8639   0.0000   0.0000  1317.51   57.043  ?   ?       ?      ? 
1 1 1    1   15   32 o  1611.29   28.482   67.124   2.3565   71.401   3.3481   62.926   3.3174  1662.41   39.174  1560.18   41.357 102.2250 56.96490 
1 1 1    1   15   34 o  1189.44   28.630   36.639   1.7501   37.924   2.4804   35.365   2.4696  1210.34   39.861  1168.54   41.107 41.79370 57.25964 
1 1 1    1   15   36 o  524.929   29.499   7.1899   0.7894   6.1118   1.1138   8.2783   1.1191  484.803   44.685  565.055   38.522 -80.25177 58.99746 
1 1 1    1   15   38 o  131.070   31.689   0.4123   0.2567   0.4248   0.3554   0.3986   0.3712  131.827   44.348  130.313   45.277 1.514420 63.37765 
1 1 1    1   15   40 o  1120.25   58.320   33.262   3.3590   33.262   3.3590   0.0000   0.0000  1120.25   58.320  ?   ?       ?      ? 
1 1 1    1   15   42 o  565.393   29.866   8.3889   0.8671   8.8922   1.2290   7.8902   1.2234  582.604   41.032  548.183   43.409 34.42017 59.73243 
1 1 1    1   15   44 o  600.269   29.991   9.4934   0.9255   9.4084   1.3019   9.5802   1.3159  597.566   42.377  602.971   42.449 -5.405273 59.98152 
1 1 1    1   15   46 o  948.173   30.250   23.815   1.4704   26.160   2.1003   21.561   2.0591  995.061   41.054  901.284   44.438 93.77655 60.49939 
1 1 1    1   15   48 o  643.704   36.860   10.953   1.1584   10.438   1.4173   11.988   2.0105  625.907   44.045  661.501   59.116 -35.59320 73.72019 
1 1 1    1   15   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   15   52 o  386.412   48.676   4.3823   0.9394   3.8834   1.3438   4.8592   1.3138  358.190   75.359  414.634   61.632 -56.44397 97.35233 
1 1 1    1   15   54 o  180.762   40.857   0.7079   0.4898   0.0000   0.6437   1.6813   0.7548  123.952   53.961  237.572   61.362 -113.6191 81.71358 
1 1 1    1   15   56 o  146.064   38.351   0.5067   0.3862   0.6969   0.5733   0.3487   0.5227  159.821   56.228  132.308   52.169 27.51289 76.70192 
1 1 1    1   16    1 o  1619.57   27.848   67.683   2.3188   67.524   3.2844   67.842   3.2742  1617.65   39.491  1621.50   39.275 -3.845947 55.69605 
1 1 1    1   16    3 o  899.597   33.333   20.943   1.5393   19.636   2.1799   22.243   2.1739  871.404   48.656  927.789   45.574 -56.38470 66.66646 
1 1 1    1   16    5 o  1489.61   31.728   57.350   2.4298   57.537   3.4517   57.166   3.4212  1491.99   44.998  1487.23   44.743 4.762207 63.45697 
1 1 1    1   16    7 o  1589.73   30.284   65.369   2.4733   62.587   3.5027   68.135   3.4930  1555.79   43.791  1623.68   41.843 -67.89661 60.56793 
1 1 1    1   16    9 o  963.798   28.949   24.040   1.4313   26.010   2.0332   22.104   2.0153  1003.19   39.421  924.407   42.404 78.78070 57.89769 
1 1 1    1   16   11 o  881.493   28.010   20.094   1.2692   20.409   1.7888   19.775   1.8012  888.512   39.158  874.474   40.062 14.03760 56.02087 
1 1 1    1   16   13 o  575.073   27.713   8.5516   0.8177   7.8679   1.1483   9.2550   1.1647  551.636   40.489  598.510   37.850 -46.87329 55.42530 
1 1 1    1   16   15 o  1555.51   33.433   62.197   2.5318   63.912   4.3729   61.333   3.1052  1569.91   54.178  1541.11   39.191 28.80005 66.86655 
1 1 1    1   16   17 o  2540.25   54.764  167.032   7.1523  167.032   7.1523   0.0000   0.0000  2540.25   54.764  ?   ?       ?      ? 
1 1 1    1   16   19 o  1536.98   27.465   60.908   2.1702   60.109   3.0654   61.711   3.0729  1526.85   39.049  1547.12   38.633 -20.26440 54.93014 
1 1 1    1   16   21 o  1079.55   27.679   30.051   1.5356   31.100   2.1741   29.006   2.1693  1098.41   38.498  1060.69   39.780 37.72217 55.35845 
1 1 1    1   16   23 o  751.028   27.780   14.543   1.0725   14.870   1.5193   14.217   1.5142  759.481   38.909  742.574   39.663 16.90747 55.56084 
1 1 1    1   16   25 o  398.174   28.640   4.1010   0.5839   4.5270   0.8252   3.6741   0.8262  419.007   38.308  377.341   42.585 41.66568 57.27975 
1 1 1    1   16   27 o  1381.16   28.078   49.228   1.9929   47.397   2.8132   51.073   2.8235  1355.28   40.374  1407.04   39.031 -51.75696 56.15630 
1 1 1    1   16   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   16   31 o  759.917   28.605   14.922   1.1175   15.039   1.5777   14.805   1.5831  762.914   40.225  756.919   40.682 5.995178 57.21023 
1 1 1    1   16   33 o  348.940   29.517   3.1558   0.5288   3.3458   0.7471   2.9652   0.7484  359.550   40.416  338.330   43.028 21.21951 59.03305 
1 1 1    1   16   35 o  1223.17   28.759   38.812   1.8079   40.184   2.5644   37.455   2.5491  1244.84   40.069  1201.51   41.266 43.32617 57.51883 
1 1 1    1   16   37 o  867.400   29.041   19.569   1.2947   19.043   1.8314   20.094   1.8307  855.610   41.633  879.190   40.500 -23.58038 58.08255 
1 1 1    1   16   39 o  575.592   35.607   8.6335   1.0027   8.9275   1.7145   8.4806   1.2361  581.149   57.382  570.035   42.176 11.11414 71.21471 
1 1 1    1   16   41 o  547.405   36.231   7.7646   0.9687   8.4183   1.6793   7.4387   1.1858  562.195   58.099  532.615   43.305 29.57941 72.46262 
1 1 1    1   16   43 o  1136.81   29.562   33.996   1.7268   35.250   2.4410   32.740   2.4432  1158.30   40.990  1115.33   42.608 42.96814 59.12384 
1 1 1    1   16   45 o  613.599   30.295   9.9644   0.9549   10.384   1.3467   9.5403   1.3541  627.017   41.777  600.180   43.884 26.83691 60.58937 
1 1 1    1   16   47 o  496.762   31.078   6.5969   0.7835   7.8816   1.1192   5.3624   1.0972  545.912   39.878  447.612   47.677 98.30023 62.15593 
1 1 1    1   16   49 o  462.567   44.588   5.9858   1.0461   7.0711   1.4851   4.9172   1.4737  507.707   56.896  417.426   68.668 90.28159 89.17645 
1 1 1    1   16   51 o  126.973   31.504   0.3948   0.2696   0.5685   0.3235   0.0000   0.4878  143.886   41.463  110.060   47.443 33.82561 63.00755 
1 1 1    1   16   53 f  129.344   35.472   0.3318   0.3356   0.3318   0.5034   0.3317   0.4502  131.348   51.376  127.341   48.922 4.006996 70.94310 
1 1 1    1   16   55 o  161.960   41.628   0.6883   0.4476   0.6885   0.6557   0.6882   0.6125  162.768   59.761  161.151   57.967 1.617722 83.25593 
1 1 1    1   16   57 o  543.492   49.459   9.2559   1.3735   10.346   1.9584   8.2007   1.9269  580.922   65.571  506.060   74.062 74.86209 98.91765 
1 1 1    1   17    0 o  434.947   36.822   5.0877   0.7914   5.2703   1.1204   4.9058   1.1182  443.498   50.870  426.396   53.252 -0.000000 0.000000 
1 1 1    1   17    2 o  659.279   28.073   11.250   0.9483   10.169   1.3404   12.333   1.3417  627.352   41.556  691.205   37.756 -63.85352 56.14647 
1 1 1    1   17    4 o  1244.32   32.804   40.071   2.0983   40.926   2.9767   39.226   2.9583  1257.57   46.040  1231.06   46.740 26.51184 65.60752 
1 1 1    1   17    6 o  880.879   31.436   20.085   1.4234   19.791   2.0248   20.372   2.0013  874.428   45.038  887.330   43.869 -12.90167 62.87214 
1 1 1    1   17    8 o  778.565   30.181   15.718   1.2047   14.408   1.7073   17.017   1.7001  745.968   44.517  811.162   40.766 -65.19421 60.36252 
1 1 1    1   17   10 f  1013.29   28.804   26.563   1.4998   25.500   2.1171   27.634   2.1249  992.829   41.476  1033.76   39.982 -40.92938 57.60886 
1 1 1    1   17   12 o  1183.27   28.087   36.184   1.7084   35.406   2.4055   36.975   2.4268  1170.40   39.976  1196.14   39.463 -25.73987 56.17344 
1 1 1    1   17   14 o  2629.81   33.945  177.218   4.3326  184.238   7.5503  173.772   5.2903  2665.51   55.095  2594.12   39.667 71.39624 67.88923 
1 1 1    1   17   16 o  1085.33   54.820   30.488   3.0589   30.488   3.0589   0.0000   0.0000  1085.33   54.820  ?   ?       ?      ? 
1 1 1    1   17   18 o  1752.25   27.480   79.172   2.4752   80.588   3.4972   77.750   3.5039  1768.01   38.474  1736.50   39.247 31.51025 54.95941 
1 1 1    1   17   20 o  1667.38   27.583   71.669   2.3645   71.974   3.3424   71.365   3.3455  1670.93   38.907  1663.82   39.110 7.109009 55.16671 
1 1 1    1   17   22 o  953.871   27.758   23.461   1.3608   24.278   1.9286   22.651   1.9202  970.454   38.655  937.289   39.848 33.16504 55.51631 
1 1 1    1   17   24 o  790.812   28.167   16.157   1.1416   14.628   1.6099   17.703   1.6190  753.005   41.584  828.620   38.004 -75.61499 56.33394 
1 1 1    1   17   26 o  1350.38   28.095   47.063   1.9493   49.055   2.7590   45.078   2.7546  1379.02   38.914  1321.75   40.535 57.27368 56.19072 
1 1 1    1   17   28 o  2227.04   56.199  128.539   6.4347  128.539   6.4347   0.0000   0.0000  2227.04   56.199  ?   ?       ?      ? 
1 1 1    1   17   30 o  786.934   28.486   16.002   1.1521   15.482   1.6280   16.524   1.6306  774.067   40.907  799.801   39.654 -25.73480 56.97197 
1 1 1    1   17   32 o  549.185   28.971   7.8128   0.8163   7.2262   1.1522   8.4040   1.1567  528.336   42.418  570.034   39.469 -41.69788 57.94104 
1 1 1    1   17   34 o  836.632   28.876   18.157   1.2406   19.252   1.7602   17.076   1.7487  861.902   39.723  811.362   41.922 50.53906 57.75256 
1 1 1    1   17   36 o  417.686   29.782   4.5400   0.6385   4.2212   0.8998   4.8632   0.9061  402.753   43.455  432.619   40.737 -29.86594 59.56388 
1 1 1    1   17   38 o  720.081   29.293   13.518   1.0843   13.766   1.5290   13.266   1.5377  726.858   40.917  713.305   41.931 13.55255 58.58693 
1 1 1    1   17   40 o  1378.13   59.343   50.560   4.2047   50.560   4.2047   0.0000   0.0000  1378.13   59.343  ?   ?       ?      ? 
1 1 1    1   17   42 o  613.534   29.741   9.8898   0.9381   9.8298   1.3299   9.9493   1.3235  611.607   42.294  615.461   41.826 -3.854126 59.48244 
1 1 1    1   17   44 o  399.860   31.085   4.2294   0.6390   4.2075   0.9056   4.2512   0.9018  398.772   44.173  400.948   43.749 -2.175781 62.17089 
1 1 1    1   17   46 o  644.259   30.660   11.036   1.0102   12.446   1.4416   9.6754   1.4160  685.897   40.881  602.621   45.704 83.27655 61.31954 
1 1 1    1   17   48 o  237.431   33.506   1.5712   0.3984   1.8879   0.5492   1.2195   0.5788  266.788   40.042  208.074   53.732 58.71400 67.01125 
1 1 1    1   17   50 o  255.029   46.393   1.8970   0.6158   2.2306   0.8893   1.5898   0.8534  276.961   63.772  233.097   67.398 43.86473 92.78639 
1 1 1    1   17   52 o  720.632   43.236   15.902   1.4123   18.194   1.7387   11.456   2.4215  822.013   41.142  619.252   76.058 202.7611 86.47220 
1 1 1    1   17   54 o  235.729   46.666   1.5702   0.6432   2.7206   0.9737   0.6792   0.8569  300.255   64.961  171.202   67.014 129.0529 93.33153 
1 1 1    1   17   56 o  246.520   48.656   1.9549   0.6613   1.4100   0.9514   2.4640   0.9197  211.404   72.545  281.636   64.859 -70.23192 97.31144 
1 1 1    1   18    1 o  737.039   28.111   14.046   1.0647   13.536   1.5071   14.555   1.5042  723.588   40.512  750.491   38.984 -26.90320 56.22256 
1 1 1    1   18    3 o  567.672   27.845   8.3332   0.8123   8.0813   1.1534   8.5811   1.1441  559.096   40.126  576.247   38.618 -17.15088 55.69017 
1 1 1    1   18    5 o  543.519   32.685   7.6667   0.9112   7.0848   1.2915   8.2433   1.2857  522.781   48.051  564.258   44.319 -41.47742 65.36932 
1 1 1    1   18    7 o  484.940   31.455   6.0989   0.7826   5.6524   1.1081   6.5432   1.1053  467.071   46.145  502.809   42.759 -35.73807 62.91040 
1 1 1    1   18    9 o  738.003   29.802   14.100   1.1295   13.309   1.5957   14.893   1.5990  717.133   43.279  758.873   40.983 -41.74030 59.60415 
1 1 1    1   18   11 o  1003.26   28.640   26.012   1.4767   25.066   2.0796   26.974   2.0973  984.789   41.074  1021.73   39.926 -36.94330 57.28091 
1 1 1    1   18   13 o  820.415   39.833   17.492   1.6743   16.877   2.4463   18.034   2.2963  806.479   59.000  834.352   53.532 -27.87256 79.66593 
1 1 1    1   18   15 o  2831.76   54.548  207.498   7.9416  207.498   7.9416   0.0000   0.0000  2831.76   54.548  ?   ?       ?      ? 
1 1 1    1   18   17 o  1346.12   27.671   46.739   1.9142   48.147   2.6995   45.316   2.7147  1366.59   38.422  1325.66   39.832 40.93176 55.34246 
1 1 1    1   18   19 o  1606.45   27.601   66.534   2.2793   67.550   3.2177   65.511   3.2292  1618.80   38.661  1594.09   39.401 24.70203 55.20105 
1 1 1    1   18   21 o  2116.85   27.687  115.528   3.0131  116.549   4.2589  114.506   4.2635  2126.24   38.959  2107.46   39.350 18.77783 55.37355 
1 1 1    1   18   23 o  2954.65   27.788  225.126   4.2211  223.479   5.9702  226.772   5.9690  2943.81   39.446  2965.49   39.150 -21.67896 55.57650 
1 1 1    1   18   25 o  2156.10   27.874  119.929   3.0896  118.089   4.3692  121.769   4.3695  2139.50   39.721  2172.70   39.117 -33.19946 55.74849 
1 1 1    1   18   27 o  320.119   44.236   2.7139   0.7092   3.9060   1.0443   1.6936   0.9661  388.447   52.291  251.791   71.365 136.6562 88.47203 
1 1 1    1   18   29 o  2249.49   35.082  132.794   3.8020  125.931   6.5660  136.257   4.6633  2202.12   57.995  2296.85   39.491 -94.73584 70.16322 
1 1 1    1   18   31 o  926.153   28.487   22.183   1.3564   22.095   1.9176   22.271   1.9190  924.305   40.352  928.002   40.221 -3.696960 56.97393 
1 1 1    1   18   33 o  1211.26   28.717   38.043   1.7856   40.676   2.5359   35.454   2.5146  1253.14   39.361  1169.38   41.826 83.76196 57.43455 
1 1 1    1   18   35 o  1005.58   28.832   26.267   1.4900   27.167   2.1103   25.373   2.1041  1022.91   40.127  988.243   41.413 34.66827 57.66450 
1 1 1    1   18   37 o  1028.28   28.978   27.532   1.5318   26.945   2.1566   28.129   2.1760  1017.13   41.241  1039.42   40.720 -22.28674 57.95625 
1 1 1    1   18   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   18   41 o  184.243   33.496   0.9145   0.3338   1.3277   0.4811   0.5311   0.4634  221.091   43.871  147.395   50.628 73.69629 66.99190 
1 1 1    1   18   43 o  823.144   29.978   17.871   1.2677   18.715   1.7974   17.036   1.7882  842.923   41.476  803.364   43.295 39.55902 59.95599 
1 1 1    1   18   45 o   97.267   27.374   0.1346   0.2021   0.1253   0.2616   0.1484   0.3185   92.776   36.803  101.757   40.532 -8.980934 54.74739 
1 1 1    1   18   47 o  697.176   30.378   12.936   1.0886   12.638   1.5390   13.235   1.5400  688.855   43.456  705.497   42.459 -16.64172 60.75534 
1 1 1    1   18   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   18   51 o  490.476   32.387   6.5402   0.7967   8.4343   1.1594   4.8454   1.0967  560.915   40.204  420.037   50.786 140.8778 64.77321 
1 1 1    1   18   53 o  600.587   38.271   9.8631   1.1232   9.2648   1.3737   11.070   1.9509  581.019   45.986  620.156   61.187 -39.13678 76.54121 
1 1 1    1   18   55 o  334.835   54.896   3.6406   0.9254   3.8262   1.3534   3.4777   1.2681  342.211   78.583  327.458   76.673 14.75311 109.7911 
1 1 1    1   19    0 o  107.418   40.350   0.4283   0.2977   0.3097   0.5361   0.4812   0.3579  102.174   60.113  112.663   53.842 -0.000000 0.000000 
1 1 1    1   19    2 o  701.225   28.173   12.715   1.0156   12.960   1.4384   12.472   1.4341  707.996   39.516  694.454   40.166 13.54163 56.34527 
1 1 1    1   19    4 o  1215.98   33.335   38.324   2.0838   37.828   2.9492   38.819   2.9448  1208.05   47.484  1223.91   46.798 -15.86353 66.66913 
1 1 1    1   19    6 o  1618.96   32.021   67.873   2.6652   68.373   3.7808   67.378   3.7578  1624.90   45.257  1613.03   45.313 11.87671 64.04240 
1 1 1    1   19    8 o  834.450   30.792   18.017   1.3207   17.584   1.8675   18.449   1.8680  824.365   44.064  844.535   43.022 -20.17065 61.58379 
1 1 1    1   19   10 o  1354.68   29.605   47.426   2.0615   46.297   2.9099   48.563   2.9210  1338.43   42.288  1370.93   41.443 -32.50244 59.20931 
1 1 1    1   19   12 o  1011.54   59.812   26.539   3.1106   26.539   3.1106   0.0000   0.0000  1011.54   59.812  ?   ?       ?      ? 
1 1 1    1   19   14 o  2439.08   54.529  153.901   6.8379  153.901   6.8379   0.0000   0.0000  2439.08   54.529  ?   ?       ?      ? 
1 1 1    1   19   16 o  2117.72   27.906  115.630   3.0383  115.200   4.2834  116.065   4.3104  2113.77   39.415  2121.67   39.515 -7.906982 55.81262 
1 1 1    1   19   18 o  1046.86   27.874   28.281   1.4982   29.877   2.1148   26.673   2.1228  1076.63   38.207  1017.09   40.595 59.53967 55.74705 
1 1 1    1   19   20 o  1014.78   33.156   25.600   1.6448   23.621   2.0011   29.720   2.8880  957.096   40.667  1072.46   52.378 -115.3647 66.31203 
1 1 1    1   19   22 o  1126.71   27.915   32.748   1.6158   34.383   2.2919   31.131   2.2782  1154.77   38.605  1098.65   40.333 56.11865 55.83076 
1 1 1    1   19   24 o  275.985   30.013   1.9660   0.4258   2.0070   0.6027   1.9252   0.6016  278.868   42.040  273.101   42.846 5.766998 60.02629 
1 1 1    1   19   26 o  1651.69   34.718   71.255   2.7666   68.497   4.7834   72.642   3.3913  1625.64   57.233  1677.74   39.317 -52.10718 69.43642 
1 1 1    1   19   28 o  531.749   40.834   7.3608   1.1110   6.5144   1.5669   8.2164   1.5754  500.637   60.876  562.862   54.441 -62.22476 81.66824 
1 1 1    1   19   30 o  854.541   28.590   18.905   1.2531   20.443   1.7762   17.380   1.7682  889.390   38.845  819.692   41.958 69.69757 57.17919 
1 1 1    1   19   32 o  1359.38   28.600   47.873   1.9979   46.039   2.8152   49.734   2.8359  1332.99   41.079  1385.77   39.804 -52.78149 57.20012 
1 1 1    1   19   34 o  806.539   28.892   16.894   1.1971   17.748   1.6985   16.051   1.6874  826.967   39.949  786.111   41.751 40.85583 57.78452 
1 1 1    1   19   36 o  686.318   29.438   12.265   1.0386   12.088   1.4724   12.441   1.4652  681.288   42.036  691.348   41.222 -10.05951 58.87543 
1 1 1    1   19   38 f  695.794   41.544   12.836   1.4859   13.188   2.1166   12.495   2.0864  705.321   58.368  686.267   59.135 19.05420 83.08893 
1 1 1    1   19   40 o  816.538   29.540   17.481   1.2395   18.103   1.7539   16.861   1.7520  831.318   41.036  801.758   42.504 29.55927 59.08074 
1 1 1    1   19   42 o  330.159   32.960   2.9479   0.5361   3.5537   0.7586   2.3434   0.7578  367.776   40.118  292.543   52.306 75.23349 65.91951 
1 1 1    1   19   44 o  263.202   32.586   1.8646   0.4311   2.0300   0.6236   1.7133   0.5967  276.738   43.832  249.667   48.232 27.07147 65.17300 
1 1 1    1   19   46 o  188.283   32.862   0.9895   0.3281   0.6079   0.4660   1.3647   0.4621  153.031   50.765  223.535   41.743 -70.50420 65.72366 
1 1 1    1   19   48 o  289.788   48.132   2.4217   0.7022   2.1500   0.9374   2.7692   1.0600  271.433   67.467  308.143   68.665 -36.70996 96.26359 
1 1 1    1   19   50 o  228.055   35.245   1.4671   0.4016   1.5162   0.5776   1.4212   0.5587  231.784   49.941  224.325   49.747 7.459778 70.48983 
1 1 1    1   19   52 o  987.074   31.136   26.504   1.5791   27.795   2.2553   25.263   2.2117  1011.45   43.371  962.699   44.685 48.75140 62.27151 
1 1 1    1   19   54 o  241.494   43.857   1.5846   0.5182   1.2308   0.6197   2.4074   0.9450  203.509   56.971  279.479   66.695 -75.96960 87.71494 
1 1 1    1   19   56 o  137.174   36.583   0.4147   0.3784   0.0000   0.5854   0.7126   0.4961  116.574   51.084  157.773   52.380 -41.19884 73.16640 
1 1 1    1   20    1 o  962.212   28.259   23.956   1.3954   25.711   1.9789   22.221   1.9680  997.472   38.588  926.952   41.295 70.52002 56.51827 
1 1 1    1   20    3 f  284.700   28.783   2.0968   0.4210   2.0178   0.5973   2.1749   0.5936  279.326   41.589  290.074   39.802 -10.74789 57.56605 
1 1 1    1   20    5 o  1111.69   32.940   32.001   1.8824   31.715   2.6787   32.281   2.6458  1106.69   47.079  1116.69   46.083 -10.00745 65.87988 
1 1 1    1   20    7 o  905.220   31.690   21.194   1.4746   21.094   2.1006   21.292   2.0706  903.061   45.243  907.378   44.384 -4.316956 63.37939 
1 1 1    1   20    9 o  1112.27   38.851   31.999   2.0450   32.220   3.7078   31.902   2.4516  1113.28   64.779  1111.26   42.910 2.025391 77.70210 
1 1 1    1   20   11 o  607.155   62.666   9.5624   1.9562   9.5624   1.9562   0.0000   0.0000  607.155   62.666  ?   ?       ?      ? 
1 1 1    1   20   13 o  1740.22   41.188   78.450   3.6620   78.968   4.9206   77.807   5.4824  1747.36   54.774  1733.08   61.529 14.27417 82.37679 
1 1 1    1   20   15 o  1285.33   28.357   42.596   1.8734   41.382   2.6381   43.832   2.6609  1266.81   40.506  1303.85   39.695 -37.04492 56.71301 
1 1 1    1   20   17 o  1610.33   28.100   66.864   2.3261   67.907   3.2828   65.811   3.2966  1623.00   39.342  1597.66   40.134 25.33630 56.20039 
1 1 1    1   20   19 o  1398.77   27.954   50.475   2.0089   52.432   2.8330   48.496   2.8490  1426.15   38.638  1371.39   40.408 54.75867 55.90765 
1 1 1    1   20   21 o  484.500   28.548   6.0653   0.7085   6.7008   1.0063   5.4406   0.9977  509.789   38.393  459.211   42.260 50.57806 57.09589 
1 1 1    1   20   23 o  1803.19   28.004   83.925   2.5939   87.982   3.6687   79.871   3.6678  1846.94   38.636  1759.44   40.548 87.49402 56.00740 
1 1 1    1   20   25 o  931.380   34.913   22.730   1.5686   21.566   2.7031   23.321   1.9261  912.140   57.641  950.620   39.410 -38.47986 69.82627 
1 1 1    1   20   27 o  1734.93   56.416   78.104   5.0322   78.104   5.0322   0.0000   0.0000  1734.93   56.416  ?   ?       ?      ? 
1 1 1    1   20   29 o  163.462   33.015   0.7047   0.2931   0.5943   0.4093   0.8208   0.4199  152.004   47.319  174.920   46.055 -22.91618 66.03087 
1 1 1    1   20   31 o  721.627   28.983   13.523   1.0711   12.155   1.5150   14.891   1.5145  684.755   43.032  758.499   38.837 -73.74414 57.96654 
1 1 1    1   20   33 o  572.488   29.463   8.5273   0.8618   9.7264   1.2305   7.3727   1.2075  612.419   39.082  532.557   44.100 79.86145 58.92523 
1 1 1    1   20   35 o  1174.61   29.007   35.915   1.7491   33.516   2.4642   38.350   2.4830  1134.64   42.243  1214.59   39.763 -79.95020 58.01345 
1 1 1    1   20   37 o  456.617   37.289   5.6029   0.8158   5.1632   1.4088   5.8247   1.0006  440.736   62.172  472.499   41.190 -31.76331 74.57860 
1 1 1    1   20   39 o  494.896   42.952   6.5495   1.0921   6.8417   1.5464   6.2588   1.5424  506.325   59.406  483.467   62.052 22.85788 85.90379 
1 1 1    1   20   41 o  380.129   31.328   3.8412   0.6054   4.4356   0.8503   3.2299   0.8623  411.045   40.235  349.212   48.030 61.83316 62.65514 
1 1 1    1   20   43 o  482.239   30.882   6.1483   0.7645   5.7002   1.0626   6.6293   1.1009  463.755   44.566  500.723   42.763 -36.96765 61.76429 
1 1 1    1   20   45 o  1027.89   29.869   28.029   1.5781   27.317   2.2263   28.749   2.2374  1014.41   42.687  1041.35   41.790 -26.93958 59.73758 
1 1 1    1   20   47 o  1286.76   30.067   44.133   1.9890   43.681   2.8154   44.583   2.8103  1279.90   42.786  1293.63   42.255 -13.72705 60.13357 
1 1 1    1   20   49 o  767.537   45.118   16.620   1.7599   19.778   2.5380   13.695   2.4425  843.209   58.545  691.865   68.667 151.3445 90.23675 
1 1 1    1   20   51 o  553.394   31.594   8.3399   0.8955   9.1305   1.2668   7.5501   1.2661  581.157   42.399  525.630   46.852 55.52722 63.18827 
1 1 1    1   20   53 o  331.942   35.835   3.1310   0.5898   2.6349   0.8352   3.6247   0.8331  300.695   56.086  363.188   44.619 -62.49341 71.66916 
1 1 1    1   20   55 o  631.763   39.891   11.628   1.2249   11.621   1.5153   11.642   2.0809  644.370   45.739  619.155   65.370 25.21509 79.78272 
1 1 1    1   21    0 o   78.012   34.554   0.0682   0.2753   0.1869   0.4559   0.0000   0.3455   88.735   53.836   67.288   43.332 0.000000 0.000000 
1 1 1    1   21    2 o  2044.78   31.465  108.467   3.2388  106.406   5.1039  109.857   4.1907  2027.18   48.971  2062.39   39.523 -35.20203 62.93016 
1 1 1    1   21    4 o  1629.54   27.717   68.563   2.3220   69.553   3.2926   67.584   3.2750  1641.28   39.020  1617.80   39.374 23.47363 55.43408 
1 1 1    1   21    6 o  1058.78   41.450   29.124   2.0830   28.964   3.7445   29.196   2.5067  1054.81   69.047  1062.75   45.877 -7.933594 82.89902 
1 1 1    1   21    8 o  356.549   41.166   3.1927   0.6835   3.7646   1.2574   2.9528   0.8143  375.061   67.699  338.036   46.856 37.02466 82.33234 
1 1 1    1   21   10 o  1088.22   42.794   30.562   2.3942   30.562   2.3942   0.0000   0.0000  1088.22   42.794  ?   ?       ?      ? 
1 1 1    1   21   12 o  1088.50   34.305   30.050   1.8504   32.623   3.1113   28.642   2.3016  1123.32   53.873  1053.68   42.487 69.63196 68.61072 
1 1 1    1   21   14 o  552.102   29.501   7.8951   0.8303   9.1444   1.1811   6.6745   1.1675  595.599   38.571  508.605   44.648 86.99377 59.00107 
1 1 1    1   21   16 o  1240.65   28.506   39.695   1.8178   40.587   2.5657   38.797   2.5759  1254.70   39.774  1226.61   40.846 28.08289 57.01201 
1 1 1    1   21   18 f  1614.69   28.294   67.345   2.3427   72.963   3.3128   61.726   3.3132  1682.37   38.301  1547.02   41.656 135.3503 56.58822 
1 1 1    1   21   20 f  2834.94   28.015  207.249   4.0830  205.116   5.7436  209.430   5.8054  2820.19   39.613  2849.69   39.625 -29.50098 56.02926 
1 1 1    1   21   22 o  1874.59   27.990   90.660   2.6974   91.620   3.8053   89.690   3.8240  1884.62   39.273  1864.57   39.891 20.05298 55.97912 
1 1 1    1   21   24 o  1427.81   28.096   52.615   2.0622   51.631   2.9118   53.606   2.9211  1414.36   40.043  1441.25   39.422 -26.88477 56.19243 
1 1 1    1   21   26 o  858.060   56.752   19.105   2.5036   19.105   2.5036   0.0000   0.0000  858.060   56.752  ?   ?       ?      ? 
1 1 1    1   21   28 o  1170.31   28.309   35.406   1.7025   34.096   2.4028   36.727   2.4127  1148.46   40.694  1192.16   39.364 -43.70605 56.61778 
1 1 1    1   21   30 o  208.425   31.939   1.1790   0.3511   0.5518   0.4963   1.8078   0.4969  152.442   52.389  264.408   36.550 -111.9665 63.87863 
1 1 1    1   21   32 f  1036.68   28.853   27.908   1.5349   30.004   2.1785   25.842   2.1629  1075.68   39.392  997.673   42.168 78.00903 57.70527 
1 1 1    1   21   34 o  1745.80   28.865   79.259   2.5884   74.891   3.6396   83.729   3.6819  1696.68   41.724  1794.92   39.898 -98.23962 57.72992 
1 1 1    1   21   36 o  227.454   33.192   1.3913   0.3846   0.8341   0.5307   2.0081   0.5583  177.207   53.644  277.701   39.104 -100.4939 66.38383 
1 1 1    1   21   38 o  719.513   59.922   13.805   2.2166   13.805   2.2166   0.0000   0.0000  719.513   59.922  ?   ?       ?      ? 
1 1 1    1   21   40 f  600.109   29.791   9.4699   0.9186   9.1374   1.3025   9.7990   1.2957  589.352   42.987  610.865   41.256 -21.51355 59.58138 
1 1 1    1   21   42 o  1027.76   29.719   27.881   1.5699   28.652   2.2224   27.113   2.2180  1042.30   41.473  1013.22   42.578 29.07098 59.43824 
1 1 1    1   21   44 o  594.518   30.225   9.3757   0.9237   9.5929   1.3078   9.1596   1.3048  601.584   42.285  587.452   43.201 14.13171 60.45095 
1 1 1    1   21   46 o  198.097   36.301   1.0991   0.3785   1.3584   0.5367   0.8427   0.5338  220.847   48.591  175.347   53.944 45.49995 72.60202 
1 1 1    1   21   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   21   50 o  676.281   31.156   12.370   1.0813   11.403   1.5066   13.398   1.5529  648.131   45.212  704.431   42.879 -56.29999 62.31201 
1 1 1    1   21   52 o  335.879   35.268   3.2174   0.5744   2.3640   0.8123   4.0709   0.8124  284.270   57.554  387.488   40.778 -103.2179 70.53637 
1 1 1    1   21   54 o  137.148   31.408   0.4994   0.2779   0.1441   0.4227   0.7700   0.3689  110.225   45.641  164.072   43.158 -53.84747 62.81539 
1 1 1    1   22    1 o  1232.74   41.333   38.309   2.5108   43.170   4.3068   35.806   3.0904  1289.11   64.983  1176.37   51.097 112.7462 82.66593 
1 1 1    1   22    3 o  2113.43   39.796  115.260   4.3241   0.0000   0.0000  115.260   4.3241  ?   ?   2113.43   39.796      ?      ? 
1 1 1    1   22    5 o  1565.55   47.216   63.327   3.8003   0.0000   0.0000   63.327   3.8003  ?   ?   1565.55   47.216      ?      ? 
1 1 1    1   22    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   22    9 o  1724.00   58.982   76.940   5.2279   76.940   5.2279   0.0000   0.0000  1724.00   58.982  ?   ?       ?      ? 
1 1 1    1   22   11 o  1110.88   36.148   32.380   1.9635   30.207   3.2766   33.598   2.4527  1080.42   58.988  1141.33   41.799 -60.91418 72.29597 
1 1 1    1   22   13 o  657.668   29.881   11.166   1.0077   10.162   1.4164   12.195   1.4339  627.628   43.895  687.708   40.555 -60.07947 59.76234 
1 1 1    1   22   15 o  328.898   32.888   2.8655   0.5241   2.0165   0.7272   3.7830   0.7560  274.706   53.416  383.091   38.382 -108.3854 65.77533 
1 1 1    1   22   17 o  799.034   28.915   16.491   1.1853   17.697   1.6737   15.278   1.6788  828.487   39.294  769.582   42.430 58.90436 57.83024 
1 1 1    1   22   19 o  1125.98   28.499   32.760   1.6451   35.650   2.3288   29.880   2.3243  1175.81   38.523  1076.15   42.010 99.65149 56.99865 
1 1 1    1   22   21 f  1469.72   28.232   55.725   2.1331   54.873   3.0040   56.591   3.0295  1458.37   40.065  1481.07   39.785 -22.69458 56.46310 
1 1 1    1   22   23 o  1325.23   28.260   45.338   1.9250   46.329   2.7157   44.338   2.7289  1339.86   39.424  1310.60   40.499 29.25635 56.51952 
1 1 1    1   22   25 o  749.413   57.470   14.577   2.2143   14.577   2.2143   0.0000   0.0000  749.413   57.470  ?   ?       ?      ? 
1 1 1    1   22   27 o  167.200   34.033   0.7364   0.3117   0.8826   0.4419   0.5918   0.4396  181.267   47.020  153.133   49.216 28.13397 68.06662 
1 1 1    1   22   29 o  223.902   33.116   1.3306   0.3766   1.6879   0.5417   0.9962   0.5240  255.308   41.269  192.497   51.804 62.81058 66.23270 
1 1 1    1   22   31 o  1031.57   28.758   27.603   1.5252   27.536   2.1523   27.671   2.1616  1030.32   40.631  1032.82   40.709 -2.497070 57.51571 
1 1 1    1   22   33 o  1801.24   28.828   84.336   2.6697   83.933   3.7690   84.743   3.7819  1796.90   40.798  1805.58   40.741 -8.677490 57.65624 
1 1 1    1   22   35 o  600.013   29.770   9.4162   0.9129   8.2089   1.2847   10.648   1.2976  560.526   44.580  639.500   39.466 -78.97388 59.53932 
1 1 1    1   22   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   22   39 o  721.222   29.956   13.715   1.1024   15.720   1.5664   11.748   1.5516  774.720   39.328  667.725   45.197 106.9954 59.91191 
1 1 1    1   22   41 o  828.968   29.626   18.119   1.2625   18.330   1.7840   17.908   1.7870  833.934   41.609  824.002   42.183 9.931519 59.25102 
1 1 1    1   22   43 o  787.779   29.818   16.442   1.2065   17.305   1.7090   15.585   1.7034  808.982   41.091  766.575   43.221 42.40643 59.63597 
1 1 1    1   22   45 o  1070.53   30.136   30.481   1.6586   30.836   2.3584   30.132   2.3329  1076.72   42.604  1064.34   42.632 12.38672 60.27121 
1 1 1    1   22   47 o  1074.28   61.802   32.166   3.4134   32.166   3.4134   0.0000   0.0000  1074.28   61.802  ?   ?       ?      ? 
1 1 1    1   22   49 o  192.706   35.698   1.0518   0.3719   1.4381   0.5274   0.6695   0.5247  226.442   46.844  158.970   53.879 67.47226 71.39509 
1 1 1    1   22   51 o  344.773   32.292   3.2510   0.5714   2.9989   0.7938   3.5221   0.8231  330.424   46.727  359.122   44.583 -28.69806 64.58371 
1 1 1    1   22   53 o  279.578   36.269   2.2371   0.5075   1.8914   0.7048   2.6095   0.7314  252.832   55.721  306.324   46.443 -53.49176 72.53778 
1 1 1    1   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   23    2 o  1972.93   49.918  100.586   5.0634  100.586   5.0634   0.0000   0.0000  1972.93   49.918  ?   ?       ?      ? 
1 1 1    1   23    4 o  1010.01   49.959   26.357   2.5942   26.357   2.5942   0.0000   0.0000  1010.01   49.959  ?   ?       ?      ? 
1 1 1    1   23    6 o  2250.11   63.478  131.194   7.3434  131.194   7.3434   0.0000   0.0000  2250.11   63.478  ?   ?       ?      ? 
1 1 1    1   23    8 o  643.986   47.443   10.894   1.5452   11.759   2.0632   9.7901   2.3320  674.050   59.535  613.922   73.884 60.12817 94.88555 
1 1 1    1   23   10 o  3150.55   36.413  256.108   5.6542  257.531   9.4630  255.317   7.0512  3155.15   58.336  3145.95   43.596 9.204590 72.82674 
1 1 1    1   23   12 o  783.383   35.822   15.890   1.3862   15.705   2.2982   15.997   1.7379  779.258   57.363  787.508   42.923 -8.249634 71.64461 
1 1 1    1   23   14 o  1287.47   35.181   43.306   2.2219   41.100   3.7005   44.549   2.7785  1260.59   57.097  1314.35   41.118 -53.75781 70.36157 
1 1 1    1   23   16 o  891.606   29.112   20.503   1.3343   20.089   1.8793   20.923   1.8949  882.512   41.419  900.700   40.920 -18.18762 58.22386 
1 1 1    1   23   18 o  1316.94   28.825   44.759   1.9489   41.776   2.7413   47.807   2.7713  1272.43   41.904  1361.46   39.592 -89.02600 57.64913 
1 1 1    1   23   20 o  1114.45   28.584   32.059   1.6359   30.122   2.3028   34.032   2.3243  1080.35   41.459  1148.55   39.362 -68.20203 57.16788 
1 1 1    1   23   22 o  189.204   34.689   0.9420   0.3505   0.6123   0.4820   1.3117   0.5104  157.219   51.607  221.190   46.368 -63.97092 69.37732 
1 1 1    1   23   24 o  847.299   57.622   18.635   2.5101   18.635   2.5101   0.0000   0.0000  847.299   57.622  ?   ?       ?      ? 
1 1 1    1   23   26 o  686.228   36.949   12.822   1.2011   10.525   2.0485   14.025   1.4828  635.716   62.677  736.740   39.146 -101.0234 73.89790 
1 1 1    1   23   28 o  646.687   28.817   10.832   0.9576   11.195   1.3511   10.465   1.3575  657.670   39.957  635.704   41.535 21.96686 57.63481 
1 1 1    1   23   30 o  2028.47   28.574  106.733   2.9789  109.986   4.2118  103.477   4.2137  2059.68   39.774  1997.26   41.036 62.42017 57.14771 
1 1 1    1   23   32 o  1020.34   28.804   27.072   1.5088   25.274   2.1258   28.898   2.1417  985.837   41.941  1054.83   39.492 -68.99542 57.60836 
1 1 1    1   23   34 o  501.582   29.983   6.5967   0.7673   7.4807   1.0811   5.6996   1.0891  536.143   39.222  467.021   45.360 69.12204 59.96554 
1 1 1    1   23   36 o  1218.79   58.864   39.482   3.6885   39.482   3.6885   0.0000   0.0000  1218.79   58.864  ?   ?       ?      ? 
1 1 1    1   23   38 o  673.588   29.637   11.906   1.0263   11.766   1.4474   12.048   1.4555  669.544   42.048  677.632   41.779 -8.087952 59.27469 
1 1 1    1   23   40 f  763.457   30.026   15.394   1.1716   17.484   1.6724   13.380   1.6419  815.549   39.886  711.365   44.893 104.1833 60.05251 
1 1 1    1   23   42 o  379.274   31.142   3.8164   0.6068   4.0096   0.8634   3.6277   0.8530  388.996   43.169  369.553   44.895 19.44250 62.28300 
1 1 1    1   23   44 o  281.182   33.812   2.1473   0.4785   2.0659   0.6766   2.2288   0.6768  273.456   49.970  288.908   45.563 -15.45242 67.62360 
1 1 1    1   23   46 o  134.732   34.692   0.4215   0.3067   0.3073   0.5194   0.4826   0.3801  132.380   52.064  137.085   45.862 -4.704834 69.38335 
1 1 1    1   23   48 o  252.229   40.978   1.8099   0.5062   1.9233   0.8362   1.7444   0.6359  256.055   63.765  248.403   51.486 7.652512 81.95625 
1 1 1    1   23   50 o  527.933   32.163   7.6417   0.8595   9.2671   1.2316   6.0989   1.1999  585.882   40.888  469.985   49.659 115.8971 64.32609 
1 1 1    1   23   52 o  222.717   36.559   1.4428   0.4138   1.1461   0.5744   1.7627   0.5965  197.312   54.717  248.123   48.499 -50.81042 73.11734 
1 1 1    1   23   54 o  527.991   33.281   7.9085   0.8922   9.2328   1.2631   6.5899   1.2603  576.617   42.607  479.366   51.138 97.25137 66.56171 
1 1 1    1   24    1 o  1785.11   43.076   82.661   3.7064   82.956   4.5206   82.056   6.4737  1792.22   49.061  1777.99   70.819 14.22791 86.15288 
1 1 1    1   24    3 o  1052.80   45.038   29.829   2.2361   31.799   2.7261   25.777   3.9094  1109.79   47.778  995.815   76.360 113.9749 90.07542 
1 1 1    1   24    5 o  2145.78   41.272  119.823   4.3833  116.472   7.2004  121.797   5.5251  2119.87   66.066  2171.68   49.485 -51.81348 82.54347 
1 1 1    1   24    7 o  1502.62   47.512   58.948   3.6323   62.000   4.8797   55.155   5.4394  1547.60   61.329  1457.63   72.583 89.96655 95.02358 
1 1 1    1   24    9 o  460.382   43.665   5.4463   0.9487   5.3854   1.1326   5.5896   1.7369  456.727   48.233  464.037   72.802 -7.309235 87.32984 
1 1 1    1   24   11 o  837.871   40.313   17.754   1.5849   17.199   1.8753   19.141   2.9652  816.444   44.675  859.298   67.117 -42.85376 80.62624 
1 1 1    1   24   13 o  1555.49   43.181   62.319   3.4207   60.399   4.5066   64.930   5.2541  1528.01   57.365  1582.98   64.558 -54.96252 86.36285 
1 1 1    1   24   15 o  1342.18   34.707   46.506   2.3002   46.638   3.8308   46.431   2.8764  1342.77   55.490  1341.59   41.703 1.173828 69.41389 
1 1 1    1   24   17 o  901.481   34.723   21.016   1.5435   20.944   2.5746   21.056   1.9285  899.610   55.666  903.352   41.523 -3.741455 69.44649 
1 1 1    1   24   19 o  980.260   33.756   23.955   1.6420   28.154   2.7878   21.725   2.0319  1043.21   51.979  917.309   43.083 125.9005 67.51266 
1 1 1    1   24   21 f  1152.87   34.913   34.673   1.9634   33.435   3.3232   35.338   2.4335  1135.74   56.913  1170.00   40.455 -34.26123 69.82603 
1 1 1    1   24   23 o  541.479   61.086   7.6210   1.7006   7.6210   1.7006   0.0000   0.0000  541.479   61.086  ?   ?       ?      ? 
1 1 1    1   24   25 o  279.038   37.940   2.0080   0.5085   2.4107   0.8551   1.7876   0.6325  299.661   57.592  258.416   49.406 41.24496 75.88058 
1 1 1    1   24   27 o  1466.34   28.538   55.660   2.1509   54.033   3.0323   57.307   3.0513  1444.65   40.827  1488.03   39.884 -43.37488 57.07521 
1 1 1    1   24   29 o  1209.71   28.745   37.966   1.7865   39.717   2.5301   36.226   2.5228  1237.75   39.759  1181.67   41.525 56.08655 57.49062 
1 1 1    1   24   31 o  615.807   29.571   9.8913   0.9315   11.024   1.3174   8.7590   1.3173  651.574   39.325  580.040   44.173 71.53345 59.14154 
1 1 1    1   24   33 o  1207.91   29.063   38.017   1.8026   35.582   2.5341   40.512   2.5646  1168.31   42.189  1247.50   39.986 -79.19067 58.12690 
1 1 1    1   24   35 o  645.517   37.764   11.450   1.1532   9.7612   1.9891   12.305   1.4154  604.447   64.007  686.587   40.097 -82.13922 75.52883 
1 1 1    1   24   37 o  205.147   38.097   1.2319   0.4357   0.5259   0.7039   1.6704   0.5547  161.889   61.415  248.405   45.098 -86.51631 76.19423 
1 1 1    1   24   39 f  530.646   30.265   7.4398   0.8214   6.5553   1.1567   8.3395   1.1667  498.004   45.178  563.287   40.285 -65.28281 60.53029 
1 1 1    1   24   41 o  560.936   30.215   8.3414   0.8675   9.2871   1.2338   7.4165   1.2201  593.276   40.450  528.596   44.896 64.67926 60.43041 
1 1 1    1   24   43 o  335.145   31.427   2.9960   0.5405   2.8122   0.7683   3.1761   0.7604  324.522   46.052  345.768   42.777 -21.24640 62.85371 
1 1 1    1   24   45 o  163.500   33.736   0.7165   0.3118   0.9986   0.4509   0.4577   0.4317  189.272   46.637  137.728   48.759 51.54465 67.47193 
1 1 1    1   24   47 o  474.563   64.444   6.3726   1.5723   6.3726   1.5723   0.0000   0.0000  474.563   64.444  ?   ?       ?      ? 
1 1 1    1   24   49 o  168.812   34.923   0.7689   0.3422   0.4047   0.4723   1.1713   0.4965  134.635   50.475  202.989   48.278 -68.35429 69.84584 
1 1 1    1   24   51 o  225.075   34.885   1.4657   0.4041   1.8817   0.5633   1.0246   0.5800  262.775   41.696  187.376   55.939 75.39897 69.76929 
1 1 1    1   24   53 o  415.914   32.811   4.8517   0.7007   5.1137   0.9915   4.5902   0.9904  428.133   45.047  403.694   47.717 24.43878 65.62154 
1 1 1    1   25    0 o  548.425   77.153   8.2162   2.0517   0.0000   0.0000   8.2162   2.0517  548.425   77.153  548.425   77.153 -0.000000 0.000000 
1 1 1    1   25    2 o  1510.81   39.057   57.997   2.6748   61.162   5.2678   56.898   3.1049  1536.15   66.700  1485.46   40.655 50.68494 78.11308 
1 1 1    1   25    4 o  2104.87   38.700  114.200   3.7045  115.216   7.1813  113.831   4.3243  2108.53   66.245  2101.20   40.030 7.329834 77.40031 
1 1 1    1   25    6 o  2527.85   33.586  164.956   4.3646  164.398   6.2081  165.503   6.1374  2523.54   47.850  2532.17   47.143 -8.624023 67.17229 
1 1 1    1   25    8 o  1303.89   32.692   43.867   2.1901   46.084   3.1243   41.725   3.0710  1336.36   45.474  1271.42   46.981 64.94031 65.38435 
1 1 1    1   25   10 o  2371.97   31.491  145.160   3.8401  146.996   5.4630  143.366   5.3991  2386.80   44.519  2357.14   44.552 29.65796 62.98254 
1 1 1    1   25   12 o  1039.89   41.154   28.499   1.9821   29.213   2.3572   26.778   3.6622  1064.07   43.089  1015.71   70.129 48.36139 82.30864 
1 1 1    1   25   14 o  1373.08   39.202   48.608   2.5158   48.372   2.9867   49.184   4.6676  1369.18   42.429  1376.98   65.932 -7.797607 78.40436 
1 1 1    1   25   16 o  1095.23   37.566   30.120   1.9507   28.773   2.3196   33.375   3.6048  1055.83   42.732  1134.64   61.795 -78.81042 75.13140 
1 1 1    1   25   18 o  880.460   37.145   19.647   1.5542   19.008   1.8565   21.145   2.8418  858.067   42.083  902.852   61.222 -44.78448 74.29057 
1 1 1    1   25   20 o  1055.92   41.620   28.834   2.2517   27.917   3.0415   29.946   3.3495  1037.70   57.009  1074.15   60.653 -36.45557 83.23933 
1 1 1    1   25   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   25   24 o  984.579   34.008   24.347   1.6513   27.808   2.8340   22.568   2.0318  1035.05   53.257  934.109   42.307 100.9397 68.01600 
1 1 1    1   25   26 o  1205.57   34.694   37.374   2.0503   38.998   3.5017   36.527   2.5292  1223.51   55.667  1187.63   41.422 35.87976 69.38729 
1 1 1    1   25   28 o  1262.31   34.970   41.416   2.1499   41.757   3.6906   41.241   2.6449  1263.63   56.808  1260.99   40.798 2.634766 69.93983 
1 1 1    1   25   30 o  355.134   36.446   3.1981   0.6410   3.6667   1.0894   2.9500   0.7927  373.795   56.688  336.473   45.823 37.32211 72.89258 
1 1 1    1   25   32 o  508.559   29.749   6.7416   0.7772   7.0888   1.1043   6.4008   1.0940  521.683   41.174  495.436   42.950 26.24722 59.49749 
1 1 1    1   25   34 o  278.211   42.761   2.3055   0.5723   1.4965   1.0086   2.6896   0.6950  235.637   74.421  320.785   42.138 -85.14786 85.52274 
1 1 1    1   25   36 o  334.504   66.850   3.1152   1.1095   3.1152   1.1095   0.0000   0.0000  334.504   66.850  ?   ?       ?      ? 
1 1 1    1   25   38 o  1054.62   29.749   29.277   1.6129   29.424   2.2701   29.128   2.2919  1057.47   41.756  1051.76   42.384 5.704224 59.49720 
1 1 1    1   25   40 o  1102.83   30.049   32.179   1.7020   33.784   2.4057   30.570   2.4083  1131.19   41.365  1074.46   43.596 56.72791 60.09750 
1 1 1    1   25   42 o  583.566   30.745   9.0950   0.9119   7.4990   1.2800   10.739   1.2993  529.710   47.002  637.421   39.647 -107.7104 61.49034 
1 1 1    1   25   44 o  306.056   34.743   2.6229   0.5147   1.8595   0.7344   3.3601   0.7217  256.122   57.215  355.990   39.429 -99.86716 69.48557 
1 1 1    1   25   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   25   48 o  162.490   38.778   0.4508   0.3588   0.1753   0.4119   1.3189   0.7312  112.734   45.676  212.245   62.678 -99.51122 77.55561 
1 1 1    1   25   50 f  211.570   36.806   1.2987   0.3976   1.3170   0.5657   1.2808   0.5589  213.041   52.085  210.098   52.017 2.942780 73.61121 
1 1 1    1   25   52 o  157.275   32.414   0.6394   0.3174   0.1458   0.4389   1.1803   0.4595  111.878   46.432  202.672   45.242 -90.79432 64.82899 
1 1 1    1   26    1 f  359.498   48.361   3.9861   0.7372   4.5525   0.8563   2.3646   1.4489  420.215   39.635  298.781   88.228 121.4340 96.72192 
1 1 1    1   26    3 f  3514.30   39.572  321.935   6.2966  324.897   7.3551  313.809   12.183  3549.73   40.302  3478.87   68.115 70.85718 79.14493 
1 1 1    1   26    5 o  2948.42   38.584  227.031   5.1980  229.847   6.1087  219.641   9.8954  2985.74   39.795  2911.09   66.116 74.65430 77.16855 
1 1 1    1   26    7 o  1353.30   39.846   48.383   2.6434   51.083   3.3297   43.781   4.3470  1406.82   46.036  1299.78   65.050 107.0394 79.69201 
1 1 1    1   26    9 o  1216.88   32.229   38.222   2.0162   38.082   2.8593   38.361   2.8436  1214.63   45.787  1219.13   45.368 -4.497070 64.45708 
1 1 1    1   26   11 o  1321.98   31.431   45.104   2.1362   45.649   3.0332   44.569   3.0090  1329.90   44.362  1314.06   44.539 15.84119 62.86280 
1 1 1    1   26   13 o  660.505   31.259   11.265   1.0612   11.011   1.5057   11.516   1.4958  653.061   44.847  667.948   43.558 -14.88770 62.51813 
1 1 1    1   26   15 o  1104.37   30.297   31.484   1.7199   30.650   2.4240   32.330   2.4406  1089.60   43.271  1119.14   42.417 -29.54236 60.59369 
1 1 1    1   26   17 o  214.715   38.245   1.2385   0.4235   1.4027   0.6038   1.0794   0.5941  228.303   52.529  201.126   55.600 27.17726 76.48969 
1 1 1    1   26   19 o  2319.05   37.378  139.232   4.1056  139.129   4.9280  139.465   7.4231  2321.05   41.297  2317.04   62.314 4.015381 74.75573 
1 1 1    1   26   21 o  335.995   70.563   3.0536   1.1802   3.0536   1.1802   0.0000   0.0000  335.995   70.563  ?   ?       ?      ? 
1 1 1    1   26   23 o  1302.19   41.826   44.341   2.7831   46.535   3.7945   41.786   4.0942  1338.26   55.150  1266.11   62.896 72.14795 83.65125 
1 1 1    1   26   25 o  1159.34   38.515   36.921   2.0819   40.223   2.5373   30.116   3.6422  1246.58   39.589  1072.11   66.077 174.4658 77.02939 
1 1 1    1   26   27 o  625.945   43.012   10.260   1.3595   7.8666   1.8621   12.991   1.9894  546.730   66.248  705.159   54.875 -158.4283 86.02341 
1 1 1    1   26   29 o  562.986   42.323   8.3049   1.2219   7.5416   1.6754   9.1722   1.7860  535.236   60.883  590.735   58.806 -55.49945 84.64590 
1 1 1    1   26   31 o  527.429   40.200   7.9378   0.9801   5.7079   1.6602   9.1309   1.2144  462.524   69.815  592.333   39.876 -129.8089 80.40044 
1 1 1    1   26   33 o  474.964   38.470   6.2266   0.8657   5.1958   1.4786   6.7643   1.0679  440.902   65.228  509.025   40.805 -68.12283 76.93982 
1 1 1    1   26   35 o  197.227   63.314   1.0297   0.7278   1.0297   0.7278   0.0000   0.0000  197.227   63.314  ?   ?       ?      ? 
1 1 1    1   26   37 o  377.878   42.046   4.1321   0.7251   3.2218   1.2275   4.6198   0.8985  336.645   73.024  419.110   41.700 -82.46429 84.09207 
1 1 1    1   26   39 o  528.972   35.624   6.9414   0.9290   9.5460   1.6205   5.6663   1.1338  596.573   52.834  461.372   47.800 135.2014 71.24809 
1 1 1    1   26   41 o  224.962   34.779   1.4021   0.3917   1.2004   0.5444   1.6188   0.5642  207.375   51.333  242.548   46.940 -35.17278 69.55884 
1 1 1    1   26   43 o  402.257   31.291   4.3268   0.6453   4.6998   0.9144   3.9566   0.9108  420.194   42.327  384.320   46.096 35.87354 62.58115 
1 1 1    1   26   45 o  360.786   67.190   3.7748   1.2005   3.7748   1.2005   0.0000   0.0000  360.786   67.190  ?   ?       ?      ? 
1 1 1    1   26   47 o  201.041   34.650   1.1307   0.3678   0.6934   0.5039   1.6296   0.5382  160.118   52.773  241.964   44.916 -81.84621 69.29984 
1 1 1    1   26   49 f  713.184   31.244   13.896   1.1445   13.149   1.6107   14.657   1.6265  692.837   45.217  733.531   43.129 -40.69446 62.48796 
1 1 1    1   26   51 o  389.814   32.741   4.2272   0.6552   3.9445   0.9170   4.5221   0.9366  375.742   47.471  403.885   45.105 -28.14316 65.48246 
1 1 1    1   27    0 o  691.078   74.258   12.759   2.5614   0.0000   0.0000   12.759   2.5614  691.078   74.258  691.078   74.258 0.000000 0.000000 
1 1 1    1   27    2 o  834.651   35.618   18.027   1.5257   17.012   2.1762   19.008   2.1397  811.365   52.168  857.937   48.510 -46.57117 71.23699 
1 1 1    1   27    4 o  1036.28   33.179   28.175   1.7068   25.878   2.7392   29.633   2.1823  1000.55   53.249  1072.01   39.596 -71.46606 66.35742 
1 1 1    1   27    6 o  1414.09   34.778   51.701   2.5214   50.960   3.6920   52.349   3.4517  1404.30   51.136  1423.88   47.151 -19.57397 69.55679 
1 1 1    1   27    8 o  785.389   39.592   16.231   1.5359   17.032   1.9492   14.919   2.4946  812.149   46.681  758.628   63.960 53.52130 79.18308 
1 1 1    1   27   10 o  1831.98   37.810   88.048   3.4153   91.513   4.3112   82.208   5.5963  1882.79   44.537  1781.17   61.112 101.6177 75.61933 
1 1 1    1   27   12 o  508.046   39.659   7.0526   0.9730   8.1427   1.2478   5.3616   1.5540  561.640   43.213  454.451   66.513 107.1884 79.31831 
1 1 1    1   27   14 o  558.943   38.859   8.5390   1.0485   9.8538   1.3441   6.4945   1.6760  617.800   42.315  500.087   65.188 117.7138 77.71748 
1 1 1    1   27   16 o  576.340   31.896   8.6404   0.9314   10.463   1.3303   6.8877   1.3045  636.645   40.643  516.035   49.168 120.6102 63.79119 
1 1 1    1   27   18 o  1404.83   39.716   52.761   2.6012   47.340   4.6906   55.169   3.1258  1348.30   67.666  1461.37   41.604 -113.0677 79.43274 
1 1 1    1   27   20 o  1191.35   62.423   36.931   3.8234   36.931   3.8234   0.0000   0.0000  1191.35   62.423  ?   ?       ?      ? 
1 1 1    1   27   22 o  754.759   35.001   14.592   1.3067   15.447   2.1945   14.122   1.6264  770.826   55.373  738.692   42.825 32.13391 70.00121 
1 1 1    1   27   24 o  1197.34   29.243   37.138   1.8001   36.834   2.5375   37.445   2.5540  1192.40   41.392  1202.27   41.319 -9.871216 58.48522 
1 1 1    1   27   26 o  950.927   37.519   24.060   1.6929   24.855   2.0545   22.380   2.9878  978.816   40.826  923.039   62.960 55.77698 75.03828 
1 1 1    1   27   28 o  679.792   39.509   12.710   1.2458   13.657   1.5066   10.664   2.2152  725.006   40.419  634.578   67.898 90.42859 79.01787 
1 1 1    1   27   30 o  895.087   38.815   22.107   1.6148   23.808   1.9576   18.486   2.8566  956.473   39.809  833.702   66.646 122.7706 77.63017 
1 1 1    1   27   32 o  323.945   42.949   2.8396   0.6459   2.8399   0.7766   2.8387   1.1633  329.170   45.891  318.720   72.612 10.44980 85.89775 
1 1 1    1   27   34 o  426.897   59.268   4.8673   1.3008   4.8673   1.3008   0.0000   0.0000  426.897   59.268  ?   ?       ?      ? 
1 1 1    1   27   36 o  505.433   43.888   6.8967   1.1401   6.6578   1.5974   7.1448   1.6277  496.304   62.602  514.562   61.527 -18.25766 87.77615 
1 1 1    1   27   38 o  433.749   38.627   5.0743   0.8236   4.9946   1.3733   5.1190   1.0292  428.195   62.382  439.304   45.570 -11.10919 77.25375 
1 1 1    1   27   40 o  262.207   36.848   1.6991   0.4779   2.8981   0.8104   1.0599   0.5917  329.256   47.874  195.158   56.030 134.0976 73.69682 
1 1 1    1   27   42 o  466.488   38.454   5.6301   0.8837   6.9439   1.5351   4.9788   1.0808  502.766   59.389  430.209   48.865 72.55719 76.90801 
1 1 1    1   27   44 o  300.696   49.445   2.4511   0.7644   0.0000   0.0000   2.4511   0.7644  ?   ?   300.696   49.445      ?      ? 
1 1 1    1   27   46 o  592.886   38.464   9.5477   1.1177   10.386   1.9181   9.1166   1.3754  606.232   61.540  579.540   46.161 26.69232 76.92850 
1 1 1    1   27   48 o  368.830   42.605   3.9000   0.7435   4.0175   1.2745   3.8394   0.9155  364.162   70.624  373.497   47.674 -9.335632 85.20911 
1 1 1    1   27   50 o  360.678   41.844   3.7226   0.7259   4.1415   1.2299   3.4987   0.8993  368.177   67.460  353.178   49.526 14.99850 83.68839 
1 1 1    1   27   52 o   92.583   27.465   0.0662   0.2219   0.0000   0.3227   0.1257   0.3056   88.985   38.472   96.182   39.206 -7.197052 54.92907 
1 1 1    1   28    1 o  1753.90   35.159   79.491   3.1700   78.188   4.4907   80.785   4.4754  1739.48   50.214  1768.31   49.227 -28.82959 70.31895 
1 1 1    1   28    3 f  1811.74   28.872   84.678   2.6889   86.614   3.8083   82.753   3.7971  1832.46   40.423  1791.03   41.237 41.43237 57.74477 
1 1 1    1   28    5 o  543.625   33.300   7.6233   0.9064   7.6740   1.4599   7.5915   1.1563  544.807   52.121  542.443   41.460 2.363892 66.59956 
1 1 1    1   28    7 o  1100.02   35.054   31.353   1.9752   30.157   2.8865   32.406   2.7087  1079.95   51.987  1120.09   47.037 -40.14392 70.10773 
1 1 1    1   28    9 o  1903.64   43.121   95.362   3.8300   90.468   7.0062   97.448   4.5738  1864.84   73.076  1942.44   45.800 -77.60107 86.24229 
1 1 1    1   28   11 o  916.901   40.235   20.377   1.7569   25.533   3.2941   18.327   2.0770  991.742   64.606  842.060   47.976 149.6818 80.47092 
1 1 1    1   28   13 o  1383.35   45.679   50.234   3.1724   47.061   4.9697   52.416   4.1214  1344.39   71.901  1422.31   56.362 -77.92102 91.35863 
1 1 1    1   28   15 o  453.835   36.938   5.2131   0.8497   4.6530   1.0951   6.0603   1.3469  424.020   50.235  483.651   54.167 -59.63123 73.87529 
1 1 1    1   28   17 o  1667.28   43.469   72.636   3.6700   70.005   5.6462   74.560   4.8293  1639.26   66.995  1695.30   55.407 -56.03943 86.93788 
1 1 1    1   28   19 o  1893.48   42.232   92.695   4.1113   92.695   4.1113   0.0000   0.0000  1893.48   42.232  ?   ?       ?      ? 
1 1 1    1   28   21 o  186.440   40.851   0.9011   0.4339   1.0084   0.6062   0.7883   0.6214  195.006   56.924  177.873   58.606 17.13286 81.70106 
1 1 1    1   28   23 o  562.633   30.861   8.2709   0.8816   9.7953   1.2502   6.7630   1.2433  615.033   39.536  510.232   47.397 104.8014 61.72193 
1 1 1    1   28   25 o  2646.61   29.370  181.812   3.9928  171.877   5.6087  192.022   5.6855  2572.76   42.402  2720.46   40.650 -147.6960 58.74001 
1 1 1    1   28   27 o  719.351   29.901   13.468   1.1047   12.756   1.5604   14.183   1.5643  700.075   43.352  738.627   41.193 -38.55194 59.80211 
1 1 1    1   28   29 o  507.254   30.243   6.7107   0.7886   6.8498   1.1133   6.5706   1.1171  512.621   42.241  501.888   43.293 10.73346 60.48645 
1 1 1    1   28   31 o  790.331   29.835   16.328   1.2118   16.815   1.7122   15.838   1.7154  802.372   41.505  778.291   42.870 24.08142 59.66958 
1 1 1    1   28   33 o  679.864   61.310   12.376   2.1430   12.376   2.1430   0.0000   0.0000  679.864   61.310  ?   ?       ?      ? 
1 1 1    1   28   35 o  427.954   37.174   4.5760   0.7734   4.0150   0.9304   5.8311   1.3917  389.771   46.427  466.137   58.070 -76.36679 74.34789 
1 1 1    1   28   37 o  871.010   35.684   18.681   1.5206   15.428   1.8366   25.771   2.7113  762.083   46.875  979.938   53.816 -217.8546 71.36789 
1 1 1    1   28   39 o  223.314   44.404   1.3617   0.4880   1.3197   0.5684   1.4793   0.9516  217.519   51.601  229.109   72.280 -11.58928 88.80862 
1 1 1    1   28   41 o  505.369   37.820   6.5969   0.9284   5.9757   1.1203   7.9589   1.6589  472.587   46.110  538.151   59.960 -65.56384 75.63914 
1 1 1    1   28   43 o  731.086   37.389   14.012   1.3339   12.859   1.6207   16.433   2.3484  691.716   45.572  770.456   59.287 -78.74060 74.77803 
1 1 1    1   28   45 o  475.359   49.910   6.6658   1.1607   8.0601   1.6333   5.2432   1.6499  536.373   59.230  414.345   80.349 122.0280 99.82092 
1 1 1    1   28   47 o  453.637   48.571   6.0118   1.1282   5.3378   1.5411   6.7902   1.6561  424.817   70.562  482.457   66.766 -57.63962 97.14262 
1 1 1    1   28   49 o  684.612   40.123   13.437   1.3281   13.408   2.2808   13.452   1.6337  671.403   66.075  697.821   45.536 -26.41827 80.24583 
1 1 1    1   28   51 o  320.592   46.077   3.5363   0.7064   2.1245   1.1977   4.2892   0.8747  248.418   81.340  392.766   43.315 -144.3486 92.15434 
1 1 1    1   29    0 o  2365.82   50.008  145.066   6.0677  150.579   8.6157  139.641   8.5468  2410.82   69.643  2320.81   71.785 0.000000 0.000000 
1 1 1    1   29    2 o  2477.77   28.911  158.417   3.6821  162.614   5.2180  154.253   5.1967  2510.57   40.426  2444.98   41.341 65.59204 57.82194 
1 1 1    1   29    4 f  736.577   29.505   14.013   1.1156   14.932   1.5803   13.101   1.5753  760.752   40.404  712.403   43.009 48.34967 59.01019 
1 1 1    1   29    6 o  1084.72   28.607   30.368   1.5949   29.725   2.2623   31.004   2.2490  1073.24   41.000  1096.20   39.905 -22.95898 57.21309 
1 1 1    1   29    8 o  836.034   34.231   18.067   1.4712   18.227   2.0947   17.911   2.0669  839.688   48.521  832.379   48.298 7.308533 68.46165 
1 1 1    1   29   10 o  1035.88   44.940   28.829   2.1361   25.657   3.9441   30.146   2.5411  991.665   77.359  1080.10   45.761 -88.43097 89.88059 
1 1 1    1   29   12 o  144.919   42.153   0.0976   0.4033   0.5403   0.9491  -0.0000   0.4455  181.897   70.713  107.941   45.905 73.95599 84.30653 
1 1 1    1   29   14 o  718.926   41.893   13.347   1.4006   13.591   2.6232   13.250   1.6565  721.981   70.670  715.872   45.008 6.109375 83.78539 
1 1 1    1   29   16 o  1024.38   39.388   26.280   1.9063   29.659   3.5574   24.919   2.2579  1067.22   64.835  981.533   44.744 85.68921 78.77562 
1 1 1    1   29   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   29   20 o  1017.58   56.708   26.970   2.9668   0.0000   0.0000   26.970   2.9668  ?   ?   1017.58   56.708      ?      ? 
1 1 1    1   29   22 o  992.935   35.892   26.077   1.7418   27.088   2.1764   24.275   2.9050  1022.22   41.413  963.647   58.635 58.57556 71.78492 
1 1 1    1   29   24 o  583.817   34.586   8.4670   1.0080   7.2405   1.2549   10.697   1.6921  527.449   46.277  640.186   51.411 -112.7366 69.17120 
1 1 1    1   29   26 o  1720.09   35.120   76.661   2.9667   75.102   3.6705   79.599   5.0385  1699.11   42.018  1741.08   56.288 -41.96960 70.24083 
1 1 1    1   29   28 o  796.022   37.378   17.364   1.4266   19.000   1.7813   14.437   2.3823  854.138   40.564  737.906   62.794 116.2321 74.75648 
1 1 1    1   29   30 o  206.094   40.008   1.1441   0.4252   1.1050   0.5326   1.2127   0.7059  201.058   51.346  211.131   61.369 -10.07326 80.01580 
1 1 1    1   29   32 o  424.555   65.624   4.8545   1.4324   4.8545   1.4324   0.0000   0.0000  424.555   65.624  ?   ?       ?      ? 
1 1 1    1   29   34 o  1006.43   30.206   26.687   1.5604   28.305   2.2017   25.054   2.2118  1037.91   41.261  974.959   44.126 62.94733 60.41137 
1 1 1    1   29   36 o  850.324   30.417   19.118   1.3279   17.952   1.8742   20.294   1.8818  823.582   44.262  877.066   41.731 -53.48419 60.83320 
1 1 1    1   29   38 o  468.088   32.128   5.8305   0.7724   6.1728   1.1015   5.4993   1.0835  481.945   44.455  454.231   46.397 27.71387 64.25665 
1 1 1    1   29   40 o  650.788   31.219   11.305   1.0404   12.541   1.4813   10.102   1.4616  687.075   41.933  614.501   46.262 72.57404 62.43889 
1 1 1    1   29   42 o  590.587   31.652   9.3605   0.9565   10.514   1.3676   8.2559   1.3383  627.497   42.392  553.677   47.015 73.82031 63.30447 
1 1 1    1   29   44 o  1004.81   62.549   28.503   3.2313   28.503   3.2313   0.0000   0.0000  1004.81   62.549  ?   ?       ?      ? 
1 1 1    1   29   46 o  145.031   38.112   0.4519   0.3649   0.3334   0.4506   0.6777   0.6222  127.532   48.953  162.531   58.426 -34.99972 76.22340 
1 1 1    1   29   48 o  547.014   41.267   8.4306   1.0834   8.1106   1.3102   9.1226   1.9267  541.096   47.097  552.931   67.776 -11.83557 82.53334 
1 1 1    1   29   50 f  142.855   39.154   0.4672   0.3779   0.5016   0.4359   0.3631   0.7585  138.353   48.990  147.358   61.091 -9.004807 78.30772 
1 1 1    1   30    1 o  2592.81   35.284  173.857   4.7034  173.737   6.6588  173.976   6.6444  2591.90   49.970  2593.72   49.827 -1.823730 70.56725 
1 1 1    1   30    3 o  2000.72   29.104  103.325   2.9937  103.422   4.2372  103.228   4.2304  2001.66   41.174  1999.78   41.146 1.874878 58.20873 
1 1 1    1   30    5 o  2316.74   28.900  138.553   3.4409  143.667   4.8842  133.513   4.8484  2359.32   40.266  2274.15   41.467 85.17456 57.80044 
1 1 1    1   30    7 o  2728.26   28.360  192.128   3.9779  191.576   5.6405  192.673   5.6109  2724.32   40.271  2732.20   39.944 -7.883057 56.72060 
1 1 1    1   30    9 o  429.434   36.338   4.7638   0.8006   5.2127   1.1587   4.3536   1.1076  448.823   50.213  410.044   52.540 38.77838 72.67580 
1 1 1    1   30   11 o  2167.27   32.548  121.519   3.6243  116.484   5.1252  126.556   5.1258  2122.07   46.976  2212.47   45.062 -90.39722 65.09503 
1 1 1    1   30   13 o  534.068   33.130   7.3929   0.9081   6.9590   1.2929   7.8154   1.2757  518.449   48.504  549.687   45.142 -31.23840 66.26009 
1 1 1    1   30   15 o  919.842   45.997   22.344   2.1163   20.644   3.3337   23.491   2.7390  888.542   72.975  951.143   56.012 -62.60083 91.99320 
1 1 1    1   30   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   30   19 o  1105.09   40.782   32.699   2.0903   29.821   3.8157   33.933   2.4986  1065.77   69.638  1144.40   42.466 -78.62939 81.56469 
1 1 1    1   30   21 o  326.762   46.579   3.2986   0.6896   1.8821   1.2733   3.8865   0.8204  266.386   83.544  387.137   41.216 -120.7512 93.15766 
1 1 1    1   30   23 o  946.420   40.377   24.396   1.7810   21.172   3.1750   25.876   2.1514  894.808   69.015  998.032   41.929 -103.2231 80.75358 
1 1 1    1   30   25 o  878.278   38.752   20.342   1.6092   19.985   2.8988   20.501   1.9346  869.069   64.878  887.487   42.400 -18.41766 77.50404 
1 1 1    1   30   27 o  325.155   48.534   3.0166   0.8000   1.8930   1.1893   3.9449   1.0810  263.183   80.449  387.128   54.314 -123.9454 97.06757 
1 1 1    1   30   29 o  790.956   37.733   17.233   1.4299   18.885   1.7859   14.285   2.3865  850.375   40.849  731.537   63.453 118.8382 75.46525 
1 1 1    1   30   31 o  453.225   65.737   5.5352   1.5318   5.5352   1.5318   0.0000   0.0000  453.225   65.737  ?   ?       ?      ? 
1 1 1    1   30   33 o  477.511   43.408   6.1459   1.0616   6.8649   1.5252   5.4702   1.4784  505.554   58.682  449.469   63.979 56.08487 86.81502 
1 1 1    1   30   35 o  625.828   35.500   10.046   1.0958   9.1079   1.3454   11.896   1.8886  586.507   44.619  665.148   55.228 -78.64111 71.00021 
1 1 1    1   30   37 o  1293.56   37.000   45.053   2.3280   45.138   2.8701   44.888   3.9804  1304.92   42.781  1282.20   60.381 22.72083 74.00052 
1 1 1    1   30   39 o  429.554   38.327   4.5360   0.7775   3.0065   0.9519   7.6005   1.3474  327.419   58.704  531.688   49.290 -204.2687 76.65349 
1 1 1    1   30   41 o  562.299   32.099   8.4835   0.9278   8.6934   1.3196   8.2782   1.3047  569.342   45.083  555.257   45.705 14.08447 64.19790 
1 1 1    1   30   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   30   45 f  251.293   47.125   1.8360   0.5819   1.7474   0.6943   2.0450   1.0668  245.497   56.220  257.090   75.647 -11.59288 94.25044 
1 1 1    1   30   47 o  499.408   32.679   6.8818   0.8387   6.7065   1.1918   7.0538   1.1803  492.470   47.072  506.345   45.341 -13.87582 65.35701 
1 1 1    1   30   49 o  120.567   33.105   0.2315   0.3044   0.0000   0.4065   0.5271   0.4594   99.392   43.074  141.742   50.283 -42.34958 66.21004 
1 1 1    1   31    0 o  497.983   59.539   6.9495   1.3879   6.4363   1.9485   7.4779   1.9773  475.667   88.735  520.300   79.408 0.000000 0.000000 
1 1 1    1   31    2 o  695.400   33.052   12.446   1.1625   12.197   1.5069   12.812   1.8269  687.178   42.652  703.621   50.502 -16.44299 66.10326 
1 1 1    1   31    4 o  1414.58   29.239   51.673   2.1263   52.537   3.0146   50.818   2.9996  1426.38   41.107  1402.78   41.591 23.60022 58.47784 
1 1 1    1   31    6 o  1500.94   28.935   58.174   2.2327   58.898   3.1757   57.466   3.1397  1510.18   40.901  1491.70   40.939 18.47998 57.87013 
1 1 1    1   31    8 o  2393.26   28.317  147.920   3.4835  152.099   4.9468  143.809   4.9063  2426.90   39.646  2359.62   40.443 67.28149 56.63452 
1 1 1    1   31   10 o  1576.89   33.283   64.384   2.6968   62.188   3.8259   66.553   3.8020  1549.93   48.012  1603.85   46.109 -53.91345 66.56680 
1 1 1    1   31   12 o  1660.93   42.162   70.578   3.2788   74.496   6.1229   69.003   3.8824  1689.03   70.510  1632.83   46.247 56.19482 84.32401 
1 1 1    1   31   14 o  312.897   86.586   2.6630   1.4401   2.6630   1.4401   0.0000   0.0000  312.897   86.586  ?   ?       ?      ? 
1 1 1    1   31   16 o  243.501   49.765   1.6296   0.6578   1.8617   0.8219   1.2160   1.0971  261.915   61.996  225.087   77.863 36.82793 99.52969 
1 1 1    1   31   18 o  618.319   31.778   9.9326   1.0089   9.4161   1.4330   10.440   1.4207  602.183   46.287  634.454   43.554 -32.27039 63.55627 
1 1 1    1   31   20 o  333.863   32.380   2.9016   0.5541   2.6232   0.7791   3.1865   0.7881  317.477   47.732  350.250   43.766 -32.77301 64.75933 
1 1 1    1   31   22 o  605.566   31.307   9.5908   0.9655   11.151   1.3712   8.0562   1.3598  655.243   40.703  555.890   47.579 99.35297 62.61356 
1 1 1    1   31   24 o  417.793   31.790   4.5633   0.6810   4.8915   0.9559   4.2251   0.9703  433.349   42.906  402.236   46.920 31.11273 63.57993 
1 1 1    1   31   26 o  734.980   38.320   13.918   1.3516   15.098   2.4271   13.387   1.6273  754.127   62.600  715.832   44.215 38.29510 76.64015 
1 1 1    1   31   28 o  926.454   40.062   23.541   1.7383   20.692   3.0785   24.874   2.1061  877.558   68.234  975.351   42.000 -97.79321 80.12399 
1 1 1    1   31   30 o  391.315   70.918   4.2666   1.3742   4.2666   1.3742   0.0000   0.0000  391.315   70.918  ?   ?       ?      ? 
1 1 1    1   31   32 o  697.292   43.297   12.806   1.5522   0.0000   0.0000   12.806   1.5522  ?   ?   697.292   43.297      ?      ? 
1 1 1    1   31   34 o  779.614   43.700   16.487   1.7486   17.168   2.5659   15.896   2.3892  793.877   62.865  765.351   60.719 28.52631 87.40073 
1 1 1    1   31   36 o  405.469   48.065   4.6500   0.9681   4.2076   1.4238   5.0304   1.3203  381.447   75.272  429.491   59.792 -48.04370 96.12982 
1 1 1    1   31   38 o  1524.25   37.263   62.904   2.7594   63.060   3.3995   62.602   4.7246  1539.74   42.943  1508.75   60.909 30.99292 74.52504 
1 1 1    1   31   40 o  1028.18   36.570   27.637   1.8544   25.116   2.2782   32.588   3.1926  967.230   45.813  1089.12   57.016 -121.8906 73.14084 
1 1 1    1   31   42 o  501.418   68.674   7.2063   1.7704   7.2063   1.7704   0.0000   0.0000  501.418   68.674  ?   ?       ?      ? 
1 1 1    1   31   44 o  138.745   36.316   0.4330   0.3444   0.5611   0.5105   0.3261   0.4665  149.132   52.998  128.359   49.664 20.77301 72.63156 
1 1 1    1   31   46 o  405.225   40.084   4.3416   0.8030   3.4696   0.9848   6.0710   1.3869  350.252   54.688  460.197   58.619 -109.9455 80.16846 
1 1 1    1   31   48 o  309.189   44.522   2.9964   0.6704   3.3414   0.8527   2.4380   1.0849  344.977   48.077  273.401   74.949 71.57614 89.04407 
1 1 1    1   32    1 o  1490.14   35.836   57.520   2.7447   59.203   3.8907   55.853   3.8725  1511.98   50.052  1468.30   51.299 43.67871 71.67120 
1 1 1    1   32    3 o  1117.50   29.423   32.270   1.6903   31.672   2.3872   32.871   2.3937  1107.08   41.941  1127.92   41.278 -20.84167 58.84678 
1 1 1    1   32    5 f  1649.87   29.183   70.339   2.4753   69.962   3.5084   70.713   3.4929  1645.42   41.473  1654.31   41.067 -8.890381 58.36509 
1 1 1    1   32    7 o  1185.28   28.904   36.325   1.7599   34.689   2.4922   37.953   2.4856  1158.49   41.843  1212.07   39.888 -53.58020 57.80859 
1 1 1    1   32    9 o  500.703   56.651   7.8908   1.1744   4.4097   2.1541   9.3633   1.4010  399.877  103.851  601.529   45.301 -201.6513 113.3012 
1 1 1    1   32   11 o  1817.47   47.501   86.141   4.3611   86.956   6.8460   85.584   5.6576  1822.07   73.080  1812.86   60.701 9.214722 95.00158 
1 1 1    1   32   13 o  383.907   48.948   3.8247   0.9661   3.8247   0.9661   0.0000   0.0000  383.907   48.948  ?   ?       ?      ? 
1 1 1    1   32   15 o  2315.36   36.939  139.969   4.2376  137.670   6.9624  141.321   5.3408  2296.38   58.972  2334.35   44.501 -37.96851 73.87870 
1 1 1    1   32   17 o  984.545   31.529   25.180   1.5944   26.521   2.2613   23.854   2.2486  1010.85   43.510  958.237   45.642 52.61627 63.05822 
1 1 1    1   32   19 o  1598.49   31.013   66.441   2.5470   63.589   3.5987   69.303   3.6054  1563.74   44.762  1633.23   42.938 -69.48694 62.02648 
1 1 1    1   32   21 o  2029.20   30.794  107.165   3.2120  104.313   4.5242  110.062   4.5609  2001.75   43.961  2056.65   43.134 -54.90259 61.58786 
1 1 1    1   32   23 o  893.893   31.019   20.869   1.4214   18.998   2.0050   22.759   2.0153  853.002   45.720  934.784   41.934 -81.78186 62.03837 
1 1 1    1   32   25 o  714.992   31.242   13.374   1.1454   12.182   1.6100   14.596   1.6299  682.227   45.901  747.756   42.397 -65.52881 62.48488 
1 1 1    1   32   27 o  569.758   31.188   8.5297   0.9101   9.3228   1.2830   7.7263   1.2913  597.045   41.797  542.472   46.300 54.57373 62.37564 
1 1 1    1   32   29 o  628.823   67.015   10.691   2.1666   10.691   2.1666   0.0000   0.0000  628.823   67.015  ?   ?       ?      ? 
1 1 1    1   32   31 o  945.404   38.258   24.662   1.7415   21.310   2.9133   26.526   2.1724  886.742   63.903  1004.07   42.084 -117.3236 76.51559 
1 1 1    1   32   33 o  870.695   30.809   20.050   1.3792   19.994   1.9480   20.107   1.9529  869.456   43.578  871.933   43.565 -2.477112 61.61898 
1 1 1    1   32   35 o  304.166   39.576   2.1567   0.5711   4.0281   1.0568   1.3848   0.6787  386.641   53.162  221.691   58.641 164.9502 79.15177 
1 1 1    1   32   37 o  341.328   44.634   3.3025   0.7091   3.1655   1.2524   3.3671   0.8603  328.088   75.776  354.568   47.191 -26.47910 89.26889 
1 1 1    1   32   39 o  820.836   39.887   18.621   1.5571   18.043   2.7481   18.895   1.8897  801.084   66.723  840.588   43.727 -39.50476 79.77486 
1 1 1    1   32   41 o  312.153   78.947   2.9802   1.2678   2.9802   1.2678   0.0000   0.0000  312.153   78.947  ?   ?       ?      ? 
1 1 1    1   32   43 o  844.651   38.700   18.811   1.5979   23.515   2.8292   16.608   1.9362  910.747   60.423  778.554   48.372 132.1935 77.39981 
1 1 1    1   32   45 o  162.367   39.981   0.7281   0.4036   0.3511   0.7884   0.8620   0.4698  151.144   62.439  173.590   49.953 -22.44556 79.96206 
1 1 1    1   32   47 o  268.960   51.214   2.4638   0.7715   1.4485   1.2311   3.1202   0.9899  216.442   81.424  321.477   62.142 -105.0349 102.4283 
1 1 1    1   33    0 o  262.843   60.968   2.2551   0.8881   3.9032   1.3125   0.8629   1.2063  364.909   79.898  160.777   92.112 0.000000 0.000000 
1 1 1    1   33    2 o  484.791   36.982   6.0943   0.9217   6.1831   1.3107   6.0074   1.2964  488.292   52.208  481.290   52.393 7.001709 73.96484 
1 1 1    1   33    4 o  1220.95   29.498   38.542   1.8516   38.349   2.6209   38.735   2.6163  1217.87   41.858  1224.04   41.574 -6.166748 58.99595 
1 1 1    1   33    6 o  1800.47   33.375   83.796   2.9996   84.726   4.8745   83.228   3.8054  1806.87   52.473  1794.07   41.257 12.80359 66.74992 
1 1 1    1   33    8 o  1876.10   41.520   91.963   3.9237   93.330   5.0878   89.956   6.1637  1895.86   52.198  1856.35   64.582 39.51514 83.03904 
1 1 1    1   33   10 o  1011.23   47.431   26.525   2.4659   26.525   2.4659   0.0000   0.0000  1011.23   47.431  ?   ?       ?      ? 
1 1 1    1   33   12 o  1229.43   49.913   40.737   3.0444   44.624   3.9510   35.057   4.7762  1307.57   58.773  1151.30   80.692 156.2772 99.82661 
1 1 1    1   33   14 o  580.125   37.447   8.4966   1.0848   9.9148   1.8087   7.6998   1.3558  616.104   57.101  544.147   48.463 71.95746 74.89435 
1 1 1    1   33   16 o  1382.19   32.032   49.665   2.2758   51.025   3.2307   48.326   3.2064  1401.12   44.849  1363.26   45.748 37.86206 64.06470 
1 1 1    1   33   18 f  758.689   32.074   15.001   1.2493   14.128   1.7714   15.865   1.7621  736.395   46.787  780.983   43.886 -44.58801 64.14833 
1 1 1    1   33   20 o  401.980   32.764   4.2216   0.6736   3.6889   0.9430   4.7764   0.9624  375.729   48.817  428.230   43.713 -52.50052 65.52810 
1 1 1    1   33   22 o  257.311   35.846   1.7954   0.4572   1.8603   0.6403   1.7279   0.6529  262.463   49.261  252.160   52.087 10.30296 71.69218 
1 1 1    1   33   24 o  621.070   32.448   10.214   1.0118   7.6501   1.4169   12.883   1.4454  539.249   51.105  702.892   39.998 -163.6437 64.89693 
1 1 1    1   33   26 o  1035.94   30.831   28.121   1.6405   26.518   2.3002   29.780   2.3405  1005.49   44.496  1066.39   42.689 -60.90326 61.66218 
1 1 1    1   33   28 o  722.304   67.611   14.135   2.5108   14.135   2.5108   0.0000   0.0000  722.304   67.611  ?   ?       ?      ? 
1 1 1    1   33   30 o  651.095   38.737   11.585   1.2250   10.507   2.0455   12.188   1.5296  622.357   63.929  679.832   43.764 -57.47473 77.47408 
1 1 1    1   33   32 o  396.733   33.716   4.1931   0.6818   4.9039   0.9792   3.5243   0.9498  430.343   44.257  363.122   50.876 67.22101 67.43204 
1 1 1    1   33   34 o  367.862   33.534   3.6494   0.6211   2.8129   0.8737   4.5042   0.8831  323.222   52.575  412.502   41.642 -89.27963 67.06847 
1 1 1    1   33   36 o  782.009   31.810   16.398   1.2655   19.173   1.7990   13.681   1.7805  850.164   41.157  713.855   48.513 136.3094 63.61927 
1 1 1    1   33   38 o  365.820   36.401   3.7115   0.6372   2.4750   0.8792   5.0790   0.9246  294.864   60.039  436.777   41.174 -141.9135 72.80117 
1 1 1    1   33   40 o  514.337   41.598   7.3514   1.0231   7.3944   1.8032   7.3309   1.2425  507.979   69.045  520.694   46.415 -12.71521 83.19535 
1 1 1    1   33   42 o  304.533   45.016   2.6097   0.6603   3.2143   1.1155   2.2836   0.8192  328.401   68.296  280.665   58.664 47.73553 90.03165 
1 1 1    1   33   44 o  199.460   40.536   0.8219   0.4354   2.1282   0.8419   0.3449   0.5087  266.766   62.482  132.154   51.660 134.6116 81.07272 
1 1 1    1   33   46 f  404.132   51.597   5.6689   0.9182   3.6500   1.6253   6.6152   1.1127  319.064   93.229  489.199   44.241 -170.1347 103.1936 
1 1 1    1   33   48 o  150.765   41.437   0.4965   0.4172   0.7518   0.8096   0.4042   0.4869  168.913   65.408  132.618   50.892 36.29495 82.87492 
1 1 1    1   34    1 o  1174.63   51.162   36.186   3.0889   35.967   4.4119   36.397   4.3259  1170.84   73.293  1178.41   71.402 -7.573242 102.3236 
1 1 1    1   34    3 o  895.264   44.754   21.240   1.9619   22.033   2.4560   19.842   3.2612  920.973   51.868  869.556   72.947 51.41681 89.50793 
1 1 1    1   34    5 o  600.420   44.303   9.4794   1.3206   9.6761   1.6746   9.1557   2.1480  610.005   53.395  590.835   70.712 19.16980 88.60663 
1 1 1    1   34    7 o  1036.16   41.596   27.803   2.2159   27.803   2.2159   0.0000   0.0000  1036.16   41.596  ?   ?       ?      ? 
1 1 1    1   34    9 o  452.168   51.072   5.3186   1.1873   5.3186   1.1873   0.0000   0.0000  452.168   51.072  ?   ?       ?      ? 
1 1 1    1   34   11 o  1387.23   38.511   49.113   2.6635   54.577   4.4273   46.014   3.3345  1444.38   59.619  1330.07   48.762 114.3135 77.02106 
1 1 1    1   34   13 o  175.443   37.389   0.7975   0.3761   1.0626   0.5297   0.5280   0.5341  198.231   51.506  152.655   54.211 45.57594 74.77797 
1 1 1    1   34   15 o  925.598   32.910   22.309   1.5661   22.211   2.2175   22.406   2.2121  923.529   46.703  927.667   46.381 -4.138550 65.82014 
1 1 1    1   34   17 o  236.741   37.857   1.5131   0.4729   0.8724   0.6659   2.1647   0.6716  185.240   60.652  288.243   45.320 -103.0023 75.71388 
1 1 1    1   34   19 o  565.704   32.967   8.3790   0.9520   9.6355   1.3591   7.1687   1.3338  608.028   43.476  523.380   49.569 84.64819 65.93340 
1 1 1    1   34   21 o  796.872   32.283   16.663   1.3122   19.201   1.8681   14.191   1.8436  857.929   42.353  735.814   48.733 122.1155 64.56555 
1 1 1    1   34   23 o  1004.09   31.752   26.437   1.6351   24.241   2.3049   28.661   2.3199  961.347   46.635  1046.84   43.104 -85.49036 63.50407 
1 1 1    1   34   25 o  266.560   35.850   1.9522   0.4744   2.4994   0.6658   1.3876   0.6763  308.935   41.918  224.185   58.171 84.74983 71.70071 
1 1 1    1   34   27 o  895.557   67.004   21.741   3.0851   21.741   3.0851   0.0000   0.0000  895.557   67.004  ?   ?       ?      ? 
1 1 1    1   34   29 o  565.531   41.534   9.1993   1.1020   6.8352   1.8297   10.545   1.3805  498.403   71.406  632.660   42.442 -134.2567 83.06726 
1 1 1    1   34   31 o  539.731   32.034   7.7274   0.8886   7.9834   1.2627   7.4762   1.2508  548.788   44.755  530.674   45.845 18.11322 64.06818 
1 1 1    1   34   33 o  417.422   33.755   4.6755   0.7110   3.6126   0.9872   5.8206   1.0247  366.273   52.427  468.570   42.535 -102.2973 67.51099 
1 1 1    1   34   35 o  166.435   35.498   0.7512   0.3322   0.6108   0.4661   0.8960   0.4735  153.196   50.771  179.673   49.624 -26.47740 70.99522 
1 1 1    1   34   37 o  631.756   32.093   10.706   1.0409   11.458   1.4837   9.9771   1.4605  654.335   44.105  609.177   46.633 45.15833 64.18673 
1 1 1    1   34   39 o  602.576   46.412   11.067   1.2512   8.3063   2.2243   12.346   1.5134  527.355   82.037  677.797   43.430 -150.4418 92.82417 
1 1 1    1   34   41 o  336.111   41.063   3.1443   0.6753   3.5210   1.1057   2.9202   0.8528  346.727   64.400  325.494   50.963 21.23346 82.12570 
1 1 1    1   34   43 f  373.378   36.188   3.9230   0.6604   2.9359   0.9096   5.0230   0.9602  317.671   57.825  429.085   43.526 -111.4137 72.37549 
1 1 1    1   34   45 o  218.637   38.520   1.4233   0.4376   1.7293   0.6151   1.1095   0.6228  244.134   50.666  193.140   58.036 50.99385 77.04041 
1 1 1    1   34   47 o  258.129   38.112   1.9696   0.4995   2.4496   0.7210   1.5267   0.6926  293.888   47.717  222.371   59.441 71.51674 76.22478 
1 1 1    1   35    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   35    2 o  1082.17   51.546   30.474   2.8679   30.474   2.8679   0.0000   0.0000  1082.17   51.546  ?   ?       ?      ? 
1 1 1    1   35    4 o  1690.70   50.792   74.377   4.4150   74.377   4.4150   0.0000   0.0000  1690.70   50.792  ?   ?       ?      ? 
1 1 1    1   35    6 o  2557.88   43.503  172.391   5.5355  166.928   8.9640  175.758   7.0377  2518.69   69.224  2597.07   52.708 -78.37427 87.00652 
1 1 1    1   35    8 o  1217.88   38.970   38.794   2.1971   38.575   4.1177   38.881   2.5977  1211.32   66.120  1224.44   41.265 -13.12488 77.94001 
1 1 1    1   35   10 o  625.553   32.342   9.9715   1.0286   11.622   1.6073   8.8266   1.3386  668.351   46.776  582.756   44.677 85.59467 64.68436 
1 1 1    1   35   12 o  448.691   34.543   5.2494   0.7963   4.9917   1.1201   5.5126   1.1321  437.434   49.807  459.949   47.875 -22.51556 69.08549 
1 1 1    1   35   14 o  1126.68   33.179   33.100   1.9215   33.951   2.7201   32.252   2.7147  1141.33   46.355  1112.02   47.483 29.30859 66.35830 
1 1 1    1   35   16 o  1004.45   32.872   26.357   1.6945   24.497   2.3915   28.233   2.4013  968.309   48.038  1040.59   44.885 -72.28265 65.74387 
1 1 1    1   35   18 o  809.170   32.731   17.133   1.3564   15.293   1.9027   19.035   1.9343  764.310   48.421  854.029   44.054 -89.71918 65.46222 
1 1 1    1   35   20 o  614.577   32.941   9.8939   1.0408   9.9088   1.4648   9.8787   1.4791  615.110   46.319  614.045   46.851 1.065308 65.88182 
1 1 1    1   35   22 o  480.901   32.770   6.0844   0.8077   5.5700   1.1463   6.5916   1.1382  460.205   48.448  501.596   44.138 -41.39114 65.53902 
1 1 1    1   35   24 o  660.137   32.110   11.458   1.0897   11.388   1.5284   11.530   1.5540  658.172   45.168  662.102   45.652 -3.930359 64.22046 
1 1 1    1   35   26 o  306.841   82.399   2.7175   1.3274   2.7175   1.3274   0.0000   0.0000  306.841   82.399  ?   ?       ?      ? 
1 1 1    1   35   28 o  771.849   37.988   16.195   1.4370   15.011   2.3711   16.882   1.8066  744.178   61.972  799.521   43.951 -55.34241 75.97527 
1 1 1    1   35   30 f  375.282   33.701   3.7434   0.6474   3.2884   0.8953   4.2420   0.9372  350.877   49.629  399.687   45.608 -48.81027 67.40269 
1 1 1    1   35   32 o  594.270   32.059   9.4392   0.9740   10.512   1.3735   8.3538   1.3813  629.656   42.428  558.884   48.073 70.77161 64.11870 
1 1 1    1   35   34 o  568.347   32.951   8.6471   0.9628   8.7100   1.3713   8.5860   1.3520  570.301   46.770  566.393   46.429 3.908142 65.90208 
1 1 1    1   35   36 o  257.068   37.907   1.8651   0.4848   1.6776   0.6906   2.0472   0.6808  242.996   56.368  271.140   50.699 -28.14357 75.81405 
1 1 1    1   35   38 o  220.892   43.688   1.3218   0.4949   1.7720   0.8583   1.0975   0.6058  245.395   66.410  196.390   56.784 49.00551 87.37679 
1 1 1    1   35   40 o  304.563   49.046   2.6559   0.7897   1.5964   1.0433   4.0771   1.2083  230.652   75.936  378.473   62.096 -147.8202 98.09272 
1 1 1    1   35   42 o  329.860   36.190   3.0376   0.6125   3.2126   0.8604   2.8578   0.8721  340.509   49.146  319.211   53.137 21.29852 72.38017 
1 1 1    1   35   44 o  356.026   37.926   3.6747   0.6662   4.2743   0.9320   3.0483   0.9526  392.273   46.213  319.779   60.150 72.49371 75.85300 
1 1 1    1   35   46 o  212.234   42.539   1.3785   0.4700   1.4138   0.8076   1.3604   0.5781  211.271   66.576  213.196   52.972 -1.924911 85.07882 
1 1 1    1   36    1 o  1077.47   52.257   30.732   2.8852   27.613   4.0374   33.988   4.1245  1020.26   76.970  1134.68   70.701 -114.4194 104.5136 
1 1 1    1   36    3 o  977.093   52.899   25.534   2.6285   28.812   3.6457   21.985   3.7931  1045.63   67.816  908.558   81.204 137.0687 105.7974 
1 1 1    1   36    5 o  306.682   45.149   2.3467   0.6140   3.0283   1.2450   2.1276   0.7058  331.815   74.772  281.549   50.623 50.26538 90.29724 
1 1 1    1   36    7 o  946.990   33.469   23.697   1.5881   21.652   2.4808   25.117   2.0673  910.305   53.007  983.675   40.877 -73.37000 66.93756 
1 1 1    1   36    9 o  342.974   32.842   3.0961   0.5700   3.7054   0.8046   2.4821   0.8077  377.671   41.438  308.278   50.963 69.39319 65.68358 
1 1 1    1   36   11 o  489.724   35.774   6.2768   0.8973   6.9559   1.2777   5.6159   1.2605  516.279   48.137  463.169   52.934 53.11032 71.54872 
1 1 1    1   36   13 o  728.502   33.996   13.864   1.2731   13.933   1.8187   13.797   1.7826  730.187   48.446  726.818   47.706 3.368958 67.99160 
1 1 1    1   36   15 o  912.753   33.392   21.816   1.5621   23.883   2.2163   19.775   2.2019  956.471   45.070  869.035   49.283 87.43628 66.78419 
1 1 1    1   36   17 f  962.414   33.040   24.268   1.6308   26.388   2.3191   22.195   2.2937  1004.69   44.896  920.138   48.485 84.55200 66.07915 
1 1 1    1   36   19 o  601.181   33.394   9.4842   1.0321   9.5854   1.4575   9.3824   1.4617  604.483   46.897  597.880   47.554 6.603027 66.78797 
1 1 1    1   36   21 o  762.663   32.553   15.295   1.2741   16.388   1.8052   14.211   1.7984  790.393   44.424  734.933   47.595 55.45996 65.10619 
1 1 1    1   36   23 o  362.322   47.996   3.6049   0.7743   3.6344   1.4963   3.5941   0.9049  355.569   83.308  369.075   47.689 -13.50641 95.99168 
1 1 1    1   36   25 o  1033.55   70.865   29.256   3.7656   29.256   3.7656   0.0000   0.0000  1033.55   70.865  ?   ?       ?      ? 
1 1 1    1   36   27 o  363.531   42.431   3.7382   0.7355   3.1824   1.1823   4.0891   0.9393  334.378   70.970  392.684   46.526 -58.30576 84.86131 
1 1 1    1   36   29 o  131.736   34.467   0.3750   0.3087   0.3021   0.4783   0.4270   0.4041  129.517   50.241  133.956   47.199 -4.439377 68.93438 
1 1 1    1   36   31 o  257.833   38.391   1.8619   0.4930   2.0555   0.6952   1.6659   0.6994  272.500   51.506  243.167   56.945 29.33398 76.78271 
1 1 1    1   36   33 o  425.549   34.716   4.8772   0.7486   5.9595   1.0828   3.8860   1.0362  472.512   44.572  378.587   53.237 93.92410 69.43240 
1 1 1    1   36   35 o  241.296   37.475   1.6096   0.4661   2.1433   0.6796   1.1357   0.6404  282.193   46.843  200.399   58.507 81.79437 74.94918 
1 1 1    1   36   37 o  296.455   46.897   2.4676   0.6554   2.9025   1.1864   2.2767   0.7863  309.985   75.211  282.925   56.039 27.06012 93.79322 
1 1 1    1   36   39 o  185.078   61.839   0.9559   0.6911   0.9559   0.6911   0.0000   0.0000  185.078   61.839  ?   ?       ?      ? 
1 1 1    1   36   41 o  173.554   37.631   0.8670   0.3773   1.0592   0.5009   0.6148   0.5737  191.827   50.204  155.281   56.069 36.54616 75.26119 
1 1 1    1   36   43 o  592.240   33.687   9.7855   1.0257   9.7593   1.4458   9.8121   1.4554  591.540   47.539  592.941   47.741 -1.400391 67.37373 
1 1 1    1   36   45 o  191.025   36.680   1.0474   0.3903   1.5938   0.5792   0.5932   0.5281  232.944   49.871  149.107   53.802 83.83632 73.36080 
1 1 1    1   37    0 o  550.119   59.741   8.5176   1.5353   9.8166   2.1676   7.2098   2.1750  600.521   73.098  499.717   94.513 -0.000000 0.000000 
1 1 1    1   37    2 o  856.696   37.057   19.218   1.6273   20.976   2.3079   17.480   2.2950  896.345   50.080  817.046   54.635 79.29926 74.11454 
1 1 1    1   37    4 o  816.984   30.339   17.364   1.2737   16.721   1.8011   18.008   1.8014  801.673   43.698  832.295   42.097 -30.62146 60.67723 
1 1 1    1   37    6 o  419.264   31.375   4.5798   0.6758   4.3829   0.9574   4.7752   0.9540  410.155   45.401  428.373   43.316 -18.21805 62.74944 
1 1 1    1   37    8 o  1084.84   29.753   30.619   1.6594   30.595   2.3552   30.644   2.3384  1084.35   42.247  1085.32   41.907 -0.9716797 59.50592 
1 1 1    1   37   10 o  1037.77   29.246   28.026   1.5604   28.199   2.2125   27.855   2.2010  1040.96   41.342  1034.58   41.379 6.372803 58.49262 
1 1 1    1   37   12 o  424.081   35.611   4.7138   0.7763   4.6273   1.0971   4.8006   1.0988  420.113   50.792  428.048   49.928 -7.934265 71.22282 
1 1 1    1   37   14 o  190.574   40.194   0.9742   0.4253   1.0731   0.5849   0.8633   0.6195  198.804   55.240  182.343   58.402 16.46153 80.38815 
1 1 1    1   37   16 o  593.577   34.494   9.2542   1.0520   8.8647   1.4835   9.6483   1.4921  580.776   49.685  606.379   47.863 -25.60297 68.98832 
1 1 1    1   37   18 o  602.021   33.949   9.5494   1.0460   10.653   1.4866   8.4678   1.4719  637.248   45.375  566.793   50.511 70.45508 67.89870 
1 1 1    1   37   20 o  667.244   33.369   11.747   1.1372   13.438   1.6251   10.124   1.5920  715.392   44.185  619.096   50.017 96.29657 66.73837 
1 1 1    1   37   22 o  536.302   44.396   7.4976   1.1027   8.3479   2.1135   7.1795   1.2926  551.473   74.544  521.130   48.243 30.34332 88.79281 
1 1 1    1   37   24 o  193.891   54.320   1.0347   0.5631   1.0347   0.5631   0.0000   0.0000  193.891   54.320  ?   ?       ?      ? 
1 1 1    1   37   26 f  561.502   40.414   8.8720   1.0923   7.2268   1.7878   9.8519   1.3798  512.757   67.816  610.247   43.979 -97.49005 80.82813 
1 1 1    1   37   28 o  677.337   33.050   12.232   1.1425   10.421   1.5921   14.154   1.6403  624.091   49.620  730.582   43.671 -106.4910 66.10065 
1 1 1    1   37   30 o  474.098   33.667   6.0205   0.8196   6.2037   1.1433   5.8269   1.1755  482.095   46.128  466.101   49.052 15.99393 67.33403 
1 1 1    1   37   32 o  691.888   33.409   12.920   1.1704   15.598   1.6702   10.337   1.6405  765.573   42.433  618.202   51.615 147.3709 66.81838 
1 1 1    1   37   34 o  152.087   36.552   0.5805   0.3520   0.7935   0.4898   0.3530   0.5061  169.735   51.573  134.440   51.812 35.29460 73.10466 
1 1 1    1   37   36 o  296.858   46.565   2.3051   0.6410   3.4027   1.2205   1.8871   0.7532  337.792   72.449  255.924   58.517 81.86830 93.12991 
1 1 1    1   37   38 o  634.469   62.728   11.493   2.0462   11.493   2.0462   0.0000   0.0000  634.469   62.728  ?   ?       ?      ? 
1 1 1    1   37   40 f  154.744   36.053   0.6266   0.3468   0.3517   0.4850   0.9143   0.4961  130.979   50.652  178.509   51.319 -47.52977 72.10544 
1 1 1    1   37   42 o  318.156   36.300   2.9011   0.5762   2.6107   0.8270   3.1752   0.8032  298.173   56.000  338.140   46.203 -39.96652 72.60017 
1 1 1    1   37   44 o  267.094   39.471   2.1304   0.5350   2.5963   0.7614   1.6762   0.7518  302.121   49.019  232.068   61.879 70.05251 78.94190 
1 1 1    1   38    1 o  791.868   37.666   16.527   1.5211   18.881   2.1501   14.169   2.1523  849.753   49.214  733.983   57.035 115.7696 75.33260 
1 1 1    1   38    3 o  1062.08   36.849   29.569   2.0115   28.776   2.8473   30.360   2.8421  1047.56   52.866  1076.60   51.347 -29.04285 73.69750 
1 1 1    1   38    5 o  1222.84   30.199   38.958   1.8983   38.135   2.6825   39.783   2.6867  1209.74   43.130  1235.93   42.282 -26.18640 60.39772 
1 1 1    1   38    7 o  1691.45   29.868   74.543   2.5968   76.530   3.6877   72.588   3.6575  1714.02   41.848  1668.88   42.627 45.14148 59.73539 
1 1 1    1   38    9 o  294.661   33.972   2.3093   0.5017   2.0966   0.7089   2.5227   0.7101  278.499   51.401  310.823   44.434 -32.32416 67.94434 
1 1 1    1   38   11 o  436.031   31.641   4.9970   0.7034   5.7158   0.9938   4.2751   0.9959  468.173   41.286  403.889   47.960 64.28461 63.28298 
1 1 1    1   38   13 o  844.772   34.171   18.734   1.4841   18.700   2.1000   18.767   2.0978  843.993   48.396  845.552   48.256 -1.559387 68.34296 
1 1 1    1   38   15 o  1131.19   33.952   33.690   1.9666   30.087   2.7658   37.375   2.7969  1068.68   50.339  1193.70   45.574 -125.0203 67.90431 
1 1 1    1   38   17 o  1025.94   33.625   27.725   1.7710   25.927   2.4953   29.549   2.5140  991.699   48.940  1060.17   46.123 -68.47333 67.24969 
1 1 1    1   38   19 o  319.230   37.170   2.7421   0.5964   2.5904   0.8452   2.8925   0.8417  307.718   55.466  330.743   49.497 -23.02478 74.34027 
1 1 1    1   38   21 o  642.282   50.268   11.439   1.5944   10.686   2.5865   11.901   2.0249  618.978   81.278  665.585   59.174 -46.60706 100.5368 
1 1 1    1   38   23 o  255.584   66.682   1.8493   0.8854   1.8493   0.8854   0.0000   0.0000  255.584   66.682  ?   ?       ?      ? 
1 1 1    1   38   25 o  215.308   38.105   1.2789   0.4467   0.6626   0.6234   1.9296   0.6405  165.276   58.580  265.341   48.747 -100.0650 76.20958 
1 1 1    1   38   27 o  387.230   35.421   4.0170   0.7049   3.8664   0.9858   4.1745   1.0084  379.681   50.500  394.780   49.682 -15.09836 70.84119 
1 1 1    1   38   29 o  656.484   33.336   11.549   1.1200   10.251   1.5744   12.880   1.5936  617.697   49.575  695.270   44.583 -77.57318 66.67291 
1 1 1    1   38   31 o  962.926   32.584   24.844   1.6123   23.841   2.2676   25.869   2.2930  942.672   46.788  983.181   45.362 -40.50940 65.16832 
1 1 1    1   38   33 o  939.285   32.623   23.746   1.5753   23.640   2.2119   23.854   2.2440  937.380   45.896  941.191   46.374 -3.811401 65.24518 
1 1 1    1   38   35 o  539.764   45.711   8.4388   1.1301   7.8000   2.0787   8.7068   1.3464  512.449   78.901  567.078   46.181 -54.62927 91.42200 
1 1 1    1   38   37 o  230.719   70.072   1.5990   0.9044   1.5990   0.9044   0.0000   0.0000  230.719   70.072  ?   ?       ?      ? 
1 1 1    1   38   39 o  466.060   34.609   6.0271   0.8184   7.2472   1.1790   4.8923   1.1370  514.556   44.566  417.563   52.961 96.99295 69.21709 
1 1 1    1   38   41 o  163.377   35.177   0.6917   0.3620   1.2409   0.5216   0.1812   0.5028  206.550   49.717  120.204   49.779 86.34641 70.35408 
1 1 1    1   38   43 o  305.435   38.508   2.7379   0.5901   2.4529   0.8206   3.0431   0.8493  284.869   58.000  326.001   50.671 -41.13242 77.01657 
1 1 1    1   39    0 o  283.970   68.101   2.7134   0.9471   1.8100   1.2701   3.8447   1.4213  215.367  101.593  352.572   90.718 0.000000 0.000000 
1 1 1    1   39    2 o  854.629   37.316   19.201   1.6395   18.955   2.3108   19.449   2.3266  849.075   52.936  860.182   52.608 -11.10632 74.63173 
1 1 1    1   39    4 o  383.599   44.294   4.1444   0.8066   2.4465   1.1463   5.8098   1.1353  296.067   75.173  471.130   46.870 -175.0638 88.58753 
1 1 1    1   39    6 o  302.897   35.583   2.4447   0.5379   2.8379   0.7755   2.0802   0.7467  329.324   45.802  276.470   54.467 52.85370 71.16544 
1 1 1    1   39    8 o  1095.46   30.082   31.360   1.6920   29.388   2.3840   33.361   2.4017  1060.25   43.735  1130.67   41.315 -70.42200 60.16379 
1 1 1    1   39   10 o  758.535   30.372   15.042   1.1843   15.327   1.6895   14.767   1.6606  765.607   42.923  751.463   42.983 14.14453 60.74498 
1 1 1    1   39   12 o  415.431   31.255   4.5212   0.6675   4.4439   0.9344   4.6016   0.9537  411.823   44.134  419.040   44.269 -7.217194 62.51020 
1 1 1    1   39   14 o  385.330   36.139   3.9217   0.7157   3.7873   1.0039   4.0606   1.0207  378.520   51.586  392.140   50.627 -13.61987 72.27899 
1 1 1    1   39   16 o  646.413   34.869   11.070   1.1555   11.739   1.6119   10.363   1.6573  667.360   46.980  625.466   51.538 41.89404 69.73773 
1 1 1    1   39   18 o  691.276   34.656   12.713   1.2221   10.964   1.7310   14.452   1.7257  642.167   52.429  740.385   45.336 -98.21832 69.31184 
1 1 1    1   39   20 o  428.678   51.033   4.8959   1.0782   6.2405   1.7721   4.1056   1.3586  476.036   72.407  381.320   71.936 94.71561 102.0659 
1 1 1    1   39   22 o  759.237   53.518   16.689   1.9610   18.479   2.4884   13.754   3.1858  827.086   58.518  691.389   89.624 135.6968 107.0365 
1 1 1    1   39   24 o  219.740   37.973   1.3099   0.4342   1.8544   0.6531   0.8788   0.5812  259.197   50.829  180.284   56.429 78.91261 75.94639 
1 1 1    1   39   26 o  416.133   36.080   4.6951   0.7470   6.1874   1.0793   3.3230   1.0349  482.702   43.489  349.564   57.582 133.1377 72.15918 
1 1 1    1   39   28 o  113.103   32.655   0.1475   0.3001   0.0000   0.4831   0.2401   0.3829  110.300   47.376  115.907   44.954 -5.607185 65.30986 
1 1 1    1   39   30 o  548.828   33.617   8.1040   0.9465   7.4689   1.3305   8.7548   1.3468  526.195   49.182  571.461   45.842 -45.26636 67.23330 
1 1 1    1   39   32 f  357.549   35.160   3.4828   0.6431   3.1394   0.9174   3.8146   0.9017  339.013   52.635  376.085   46.632 -37.07181 70.32034 
1 1 1    1   39   34 o  256.435   48.148   1.7836   0.5911   2.4237   1.1414   1.5490   0.6909  281.443   76.760  231.428   58.144 50.01408 96.29591 
1 1 1    1   39   36 o  270.786   71.803   2.2417   1.0159   2.2417   1.0159   0.0000   0.0000  270.786   71.803  ?   ?       ?      ? 
1 1 1    1   39   38 o  686.861   34.306   13.062   1.2054   11.478   1.6779   14.752   1.7330  641.349   50.885  732.373   46.025 -91.02417 68.61180 
1 1 1    1   39   40 o  733.156   33.791   15.025   1.2690   13.520   1.7790   16.585   1.8107  693.066   49.927  773.246   45.547 -80.18005 67.58126 
1 1 1    1   39   42 o  170.439   38.396   0.8889   0.4063   1.1538   0.4956   0.3456   0.7096  197.952   48.965  142.925   59.156 55.02673 76.79163 
1 1 1    1   40    1 o  683.742   37.697   12.364   1.3175   10.807   1.8532   13.956   1.8736  639.044   56.405  728.440   50.027 -89.39624 75.39363 
1 1 1    1   40    3 o  743.947   37.902   14.618   1.4488   14.109   2.0570   15.118   2.0408  730.683   54.755  757.211   52.423 -26.52777 75.80431 
1 1 1    1   40    5 o  1077.94   34.440   31.021   1.8585   32.999   2.4199   28.177   2.9020  1123.60   41.890  1032.29   54.679 91.31262 68.88074 
1 1 1    1   40    7 o  855.155   30.676   19.175   1.3457   20.622   1.9030   17.727   1.9032  888.087   41.678  822.223   45.021 65.86359 61.35154 
1 1 1    1   40    9 o  372.732   33.862   3.6817   0.6379   4.5087   0.9117   2.8888   0.8928  414.910   42.741  330.553   52.533 84.35739 67.72368 
1 1 1    1   40   11 o  880.577   30.138   20.327   1.3644   20.199   1.9287   20.454   1.9304  877.766   42.738  883.388   42.504 -5.621582 60.27574 
1 1 1    1   40   13 o  354.966   38.635   3.3510   0.7045   3.3600   0.9775   3.3414   1.0162  355.715   53.447  354.218   55.803 1.497314 77.26940 
1 1 1    1   40   15 o  289.861   40.173   2.3159   0.5757   2.3255   0.7842   2.3046   0.8479  291.247   54.372  288.474   59.152 2.772888 80.34521 
1 1 1    1   40   17 o  332.186   51.312   3.2838   0.7887   2.5993   1.4952   3.5478   0.9284  298.764   89.956  365.608   49.394 -66.84445 102.6246 
1 1 1    1   40   19 o  470.318   88.530   6.4693   2.0621   6.4693   2.0621   0.0000   0.0000  470.318   88.530  ?   ?       ?      ? 
1 1 1    1   40   21 o  410.671   57.134   5.0864   1.1251   5.7250   1.4184   4.0028   1.8476  459.197   60.080  362.144   97.199 97.05270 114.2687 
1 1 1    1   40   23 o  175.891   36.272   0.7924   0.3958   0.1718   0.5681   1.3775   0.5516  128.878   53.099  222.905   49.427 -94.02782 72.54332 
1 1 1    1   40   25 o  668.044   33.902   11.960   1.1628   11.441   1.6597   12.460   1.6297  652.958   49.440  683.130   46.403 -30.17279 67.80477 
1 1 1    1   40   27 o  299.102   39.336   2.5126   0.5845   2.0031   0.8418   2.9869   0.8122  264.451   62.840  333.752   47.334 -69.30081 78.67277 
1 1 1    1   40   29 o  570.862   34.004   8.7866   0.9975   8.4909   1.4138   9.0796   1.4074  560.770   49.038  580.954   47.121 -20.18372 68.00864 
1 1 1    1   40   31 o  455.565   35.060   5.6431   0.8149   6.5321   1.1702   4.8060   1.1355  492.029   46.258  419.102   52.697 72.92712 70.11950 
1 1 1    1   40   33 o  531.135   44.268   7.4912   1.1170   9.3872   2.0921   6.7353   1.3210  567.484   71.708  494.787   51.929 72.69656 88.53611 
1 1 1    1   40   35 o  288.421   73.449   2.5625   1.0921   2.5625   1.0921   0.0000   0.0000  288.421   73.449  ?   ?       ?      ? 
1 1 1    1   40   37 o  168.084   34.039   0.7272   0.3728   1.4071   0.5186   0.0000   0.5364  222.365   46.845  113.804   49.400 108.5612 68.07896 
1 1 1    1   40   39 o  383.094   36.073   4.1580   0.7087   4.2932   0.9815   4.0106   1.0245  391.092   48.812  375.096   53.125 15.99557 72.14509 
1 1 1    1   40   41 o  255.598   38.585   1.9682   0.5136   1.1078   0.7152   2.8844   0.7380  190.355   62.878  320.841   44.738 -130.4852 77.17007 
1 1 1    1   41    0 o  134.083   49.433   0.5314   0.5048   0.0000   0.6869   1.1553   0.7443   93.998   60.743  174.167   78.004 -0.000000 0.000000 
1 1 1    1   41    2 o  418.637   39.574   4.6570   0.8512   4.7663   1.1919   4.5433   1.2159  423.954   54.682  413.320   57.220 10.63351 79.14732 
1 1 1    1   41    4 o  1087.86   37.220   31.333   2.0810   30.399   2.9431   32.266   2.9427  1071.17   53.441  1104.55   51.820 -33.38098 74.43968 
1 1 1    1   41    6 o  916.502   30.955   22.117   1.4517   19.729   2.0565   24.489   2.0494  865.959   46.191  967.045   41.221 -101.0852 61.90977 
1 1 1    1   41    8 o  375.457   32.608   3.7123   0.6292   3.7411   0.8806   3.6823   0.8994  377.075   45.426  373.838   46.793 3.236633 65.21561 
1 1 1    1   41   10 o  362.074   32.735   3.4555   0.6074   3.8322   0.8708   3.0988   0.8475  381.649   44.381  342.500   48.132 39.14908 65.46989 
1 1 1    1   41   12 o  644.977   30.805   10.949   1.0215   10.857   1.4419   11.041   1.4472  642.237   43.669  647.717   43.459 -5.480164 61.60907 
1 1 1    1   41   14 o  416.882   57.494   5.6050   1.0408   3.5829   2.0060   6.3499   1.2175  344.341  104.313  489.423   48.386 -145.0827 114.9889 
1 1 1    1   41   16 o  260.132   56.673   1.8618   0.8121   2.2441   1.3333   1.6364   1.0239  278.706   85.177  241.559   74.780 37.14792 113.3456 
1 1 1    1   41   18 o  159.631   59.422   0.5568   0.6523   0.5568   0.6523   0.0000   0.0000  159.631   59.422  ?   ?       ?      ? 
1 1 1    1   41   20 o  770.509   39.949   16.165   1.5280   15.587   2.4764   16.521   1.9416  753.995   63.884  787.023   47.984 -33.02771 79.89732 
1 1 1    1   41   22 o  741.273   34.111   14.692   1.2997   14.311   1.8197   15.088   1.8571  731.390   48.392  751.156   48.088 -19.76654 68.22218 
1 1 1    1   41   24 o  345.579   37.802   3.2817   0.6524   2.9190   0.9282   3.6360   0.9173  322.983   58.030  368.176   48.460 -45.19263 75.60317 
1 1 1    1   41   26 o  407.888   35.961   4.5312   0.7385   5.6202   1.0555   3.4866   1.0337  458.548   44.772  357.228   56.286 101.3206 71.92123 
1 1 1    1   41   28 o  959.340   33.883   24.921   1.6612   27.809   2.3440   22.005   2.3547  1018.28   44.773  900.396   50.868 117.8895 67.76508 
1 1 1    1   41   30 o  353.987   36.284   3.4316   0.6566   3.0194   0.9249   3.8505   0.9323  331.241   54.308  376.734   48.132 -45.49313 72.56729 
1 1 1    1   41   32 o  322.327   51.344   3.6332   0.8127   1.7831   1.5503   4.3342   0.9543  245.422   91.559  399.232   46.494 -153.8101 102.6880 
1 1 1    1   41   34 o  289.406   71.435   2.5661   1.0564   2.5661   1.0564   0.0000   0.0000  289.406   71.435  ?   ?       ?      ? 
1 1 1    1   41   36 o  209.087   38.423   1.2615   0.4538   0.5819   0.6337   1.9771   0.6503  155.243   58.414  262.932   49.931 -107.6893 76.84563 
1 1 1    1   41   38 o  438.704   36.325   5.4684   0.8165   5.9254   1.1529   5.0084   1.1566  459.106   48.842  418.302   53.781 40.80411 72.64972 
1 1 1    1   41   40 o  301.246   38.106   2.6524   0.5765   2.3812   0.7845   2.9706   0.8499  281.401   56.192  321.091   51.486 -39.68958 76.21212 
1 1 1    1   42    1 o  422.805   39.667   4.7773   0.8567   5.4387   1.2217   4.1373   1.2017  452.609   52.502  393.000   59.476 59.60922 79.33379 
1 1 1    1   42    3 o  276.793   44.314   2.1335   0.6186   1.7600   0.8601   2.5339   0.8904  250.650   65.877  302.936   59.289 -52.28671 88.62863 
1 1 1    1   42    5 o  938.691   37.820   23.446   1.8251   23.728   2.5785   23.162   2.5836  944.588   53.095  932.795   53.872 11.79333 75.63936 
1 1 1    1   42    7 o  785.068   31.178   16.246   1.2526   18.253   1.7909   14.325   1.7527  833.523   41.790  736.613   46.281 96.91064 62.35654 
1 1 1    1   42    9 o  771.300   30.933   15.705   1.2221   14.144   1.7242   17.282   1.7324  731.780   45.829  810.819   41.559 -79.03833 61.86618 
1 1 1    1   42   11 o  183.255   36.643   0.9082   0.3778   1.2701   0.5311   0.5376   0.5375  214.688   49.178  151.822   54.336 62.86604 73.28585 
1 1 1    1   42   13 o  279.533   45.858   2.1505   0.6435   2.6937   0.9951   1.7600   0.8437  309.492   64.624  249.574   65.082 59.91727 91.71663 
1 1 1    1   42   15 o  974.460   83.416   26.995   4.1791   26.995   4.1791   0.0000   0.0000  974.460   83.416  ?   ?       ?      ? 
1 1 1    1   42   17 f  592.666   50.513   9.2957   1.4955   7.8261   1.8641   11.949   2.5049  532.212   68.128  653.119   74.597 -120.9068 101.0255 
1 1 1    1   42   19 o  589.011   35.113   9.3050   1.0609   8.6009   1.4991   10.012   1.5016  565.739   51.539  612.283   47.703 -46.54437 70.22672 
1 1 1    1   42   21 o  487.501   36.940   6.4416   0.9173   7.4083   1.2983   5.4777   1.2963  525.996   48.009  449.006   56.156 76.99039 73.88081 
1 1 1    1   42   23 o  814.542   33.996   17.815   1.4227   17.045   2.0083   18.590   2.0157  796.162   49.064  832.922   47.071 -36.76007 67.99232 
1 1 1    1   42   25 o  696.837   34.752   13.148   1.2272   15.909   1.7616   10.546   1.7105  771.193   44.430  622.481   53.448 148.7115 69.50321 
1 1 1    1   42   27 o  247.227   41.724   1.7473   0.5249   1.4871   0.7259   2.0324   0.7600  227.198   60.904  267.256   57.046 -40.05789 83.44788 
1 1 1    1   42   29 o  408.043   36.966   4.5580   0.7708   5.2536   1.1187   3.9292   1.0636  438.919   49.573  377.167   54.849 61.75214 73.93182 
1 1 1    1   42   31 o  607.832   51.586   11.293   1.3993   9.7625   2.5965   11.919   1.6611  556.219   90.797  659.446   48.995 -103.2266 103.1730 
1 1 1    1   42   33 o  324.353   71.602   3.2181   1.1621   3.2181   1.1621   0.0000   0.0000  324.353   71.602  ?   ?       ?      ? 
1 1 1    1   42   35 o  468.314   38.440   6.2533   0.8938   4.4514   1.2369   8.2220   1.2929  391.013   61.530  545.615   46.092 -154.6014 76.87934 
1 1 1    1   42   37 o  336.333   39.607   3.3034   0.6673   2.9776   0.9354   3.6411   0.9522  315.035   59.941  357.631   51.788 -42.59558 79.21483 
1 1 1    1   43    0 o  480.559   64.738   6.8343   1.4191   6.1330   2.0139   7.5259   1.9999  448.059  100.097  513.060   82.125 0.000000 0.000000 
1 1 1    1   43    2 o  394.742   40.045   4.1763   0.8125   4.0402   1.1382   4.3178   1.1601  388.065   57.050  401.419   56.211 -13.35464 80.09040 
1 1 1    1   43    4 o  1118.73   37.822   33.422   2.1752   32.820   3.0658   34.033   3.0868  1108.34   53.802  1129.12   53.173 -20.77966 75.64422 
1 1 1    1   43    6 o  961.648   31.339   24.439   1.5471   22.904   2.1846   25.984   2.1914  930.537   45.662  992.758   42.936 -62.22125 62.67793 
1 1 1    1   43    8 o  996.946   35.376   26.015   1.7603   28.340   2.9042   24.664   2.2132  1028.00   54.950  965.889   44.568 62.11517 70.75210 
1 1 1    1   43   10 o  1144.80   36.810   35.672   2.0565   32.842   3.4169   37.279   2.5752  1100.91   60.368  1188.68   42.138 -87.76245 73.62025 
1 1 1    1   43   12 o  434.201   41.850   5.1701   0.9172   4.7010   1.3936   5.5286   1.2183  414.121   65.457  454.282   52.163 -40.16107 83.69941 
1 1 1    1   43   14 o  1078.51   50.016   31.114   2.7734   31.114   2.7734   0.0000   0.0000  1078.51   50.016  ?   ?       ?      ? 
1 1 1    1   43   16 o  1006.24   41.007   27.479   2.0568   27.663   3.3390   27.366   2.6109  1002.18   64.804  1010.29   50.266 -8.111938 82.01367 
1 1 1    1   43   18 o  719.949   35.553   13.968   1.3053   16.082   1.8589   11.912   1.8334  776.047   46.590  663.851   53.716 112.1962 71.10629 
1 1 1    1   43   20 o  917.374   35.237   22.641   1.6619   22.518   2.3428   22.766   2.3579  914.882   49.807  919.866   49.857 -4.983948 70.47310 
1 1 1    1   43   22 o  456.664   37.875   5.6915   0.8799   4.7654   1.2380   6.6372   1.2510  416.936   57.753  496.392   49.017 -79.45651 75.75011 
1 1 1    1   43   24 o  680.308   34.975   12.522   1.2222   13.201   1.7371   11.856   1.7198  699.364   48.311  661.252   50.588 38.11243 69.95066 
1 1 1    1   43   26 o  152.033   36.428   0.5071   0.3641   0.1320   0.4888   0.9746   0.5457  118.018   48.994  186.048   53.921 -68.02972 72.85524 
1 1 1    1   43   28 o  884.887   34.527   21.366   1.5699   22.257   2.2271   20.486   2.2132  904.179   47.909  865.594   49.732 38.58502 69.05491 
1 1 1    1   43   30 o  232.882   54.064   1.4102   0.7194   2.4573   1.2869   0.9342   0.8677  277.685   83.420  188.078   68.794 89.60695 108.1272 
1 1 1    1   43   32 o  666.776   64.300   15.146   1.9201   18.118   2.4737   10.642   3.0456  794.252   60.580  539.302  113.437 254.9501 128.5999 
1 1 1    1   43   34 o  318.037   40.727   2.9719   0.6395   2.1686   0.8930   3.8172   0.9161  265.861   65.711  370.214   48.132 -104.3534 81.45303 
1 1 1    1   43   36 o  212.701   40.755   1.2806   0.4830   2.0898   0.7437   0.6902   0.6352  264.598   56.392  160.804   58.855 103.7939 81.51037 
1 1 1    1   44    1 o  850.875   38.477   19.437   1.6819   20.323   2.3832   18.558   2.3741  870.978   53.221  830.771   55.583 40.20624 76.95449 
1 1 1    1   44    3 o  362.321   53.787   4.0990   0.9460   2.5727   1.5886   4.9376   1.1775  295.452   93.405  429.190   53.363 -133.7386 107.5739 
1 1 1    1   44    5 o  627.199   58.696   11.177   1.8919   11.466   2.6689   10.885   2.6824  636.384   81.571  618.015   84.422 18.36890 117.3923 
1 1 1    1   44    7 o  793.032   57.156   16.990   2.3304   16.990   2.3304   0.0000   0.0000  793.032   57.156  ?   ?       ?      ? 
1 1 1    1   44    9 o  659.506   45.403   11.838   1.5248   11.345   2.0064   12.512   2.3460  645.685   60.440  673.326   67.770 -27.64124 90.80620 
1 1 1    1   44   11 o  362.445   46.736   3.4992   0.8709   3.4992   0.8709   0.0000   0.0000  362.445   46.736  ?   ?       ?      ? 
1 1 1    1   44   13 o  527.015   54.028   7.8081   1.2640   7.6738   1.4840   8.1631   2.4125  533.095   54.143  520.935   93.512 12.15948 108.0559 
1 1 1    1   44   15 o  781.656   35.410   17.007   1.3645   13.308   2.0846   19.780   1.8048  698.777   58.024  864.534   40.604 -165.7569 70.82043 
1 1 1    1   44   17 o  585.537   36.148   9.2303   1.0867   9.9271   1.5653   8.5820   1.5098  607.363   50.128  563.710   52.095 43.65271 72.29572 
1 1 1    1   44   19 o  827.464   36.109   18.588   1.5185   21.858   2.1607   15.397   2.1346  903.152   46.533  751.775   55.228 151.3767 72.21790 
1 1 1    1   44   21 o  320.448   39.124   2.8475   0.6297   2.6930   0.8977   2.9971   0.8834  308.573   58.731  332.322   51.704 -23.74869 78.24725 
1 1 1    1   44   23 o  269.500   40.852   2.0667   0.5495   2.3423   0.7924   1.8113   0.7628  288.039   55.519  250.962   59.944 37.07642 81.70416 
1 1 1    1   44   25 o  269.272   41.840   2.0957   0.5655   2.4619   0.8016   1.7331   0.7978  294.985   54.876  243.560   63.174 51.42430 83.67953 
1 1 1    1   44   27 o  750.805   35.844   15.574   1.3610   12.409   1.9065   18.862   1.9434  667.695   55.538  833.914   45.328 -166.2184 71.68755 
1 1 1    1   44   29 o  344.084   57.436   4.1524   1.0759   2.0422   1.7911   5.3439   1.3458  255.120   97.680  433.048   60.449 -177.9278 114.8716 
1 1 1    1   44   31 o  486.456   65.159   9.1794   1.5180   12.040   1.9050   4.2031   2.5126  650.345   56.975  322.566  117.203 327.7792 130.3178 
1 1 1    1   44   33 o  239.746   43.506   1.7467   0.5505   2.2102   0.7837   1.2953   0.7735  272.938   57.659  206.554   65.165 66.38373 87.01153 
1 1 1    1   44   35 f  438.244   37.513   5.5522   0.8322   4.5283   1.1722   6.5930   1.1818  392.633   58.068  483.856   47.508 -91.22269 75.02578 
1 1 1    1   45    0 o  853.737   80.517   20.184   3.4619   0.0000   0.0000   20.184   3.4619  853.737   80.517  853.737   80.517 0.000000 0.000000 
1 1 1    1   45    2 o  648.606   57.689   12.044   1.9059   10.363   2.7001   13.713   2.6905  598.253   87.785  698.959   74.872 -100.7063 115.3778 
1 1 1    1   45    4 o  1313.32   55.165   48.705   3.7185   50.580   5.4515   47.073   5.0853  1334.69   79.445  1291.95   76.559 42.73572 110.3301 
1 1 1    1   45    6 o  849.120   54.326   19.455   2.3716   19.455   2.3716   0.0000   0.0000  849.120   54.326  ?   ?       ?      ? 
1 1 1    1   45    8 o  941.931   51.438   25.485   2.2395   26.487   2.6870   23.207   4.0526  991.680   52.702  892.183   88.350 99.49774 102.8752 
1 1 1    1   45   10 o  366.463   50.600   3.9709   0.9174   2.7763   1.3565   4.9778   1.2453  304.791   83.909  428.136   56.577 -123.3446 101.2010 
1 1 1    1   45   12 o  652.542   35.118   11.202   1.1660   13.492   1.8010   9.5494   1.5298  708.924   49.414  596.159   49.913 112.7648 70.23505 
1 1 1    1   45   14 o  552.332   35.340   8.2150   0.9883   8.1781   1.5320   8.2412   1.2935  549.054   54.271  555.611   45.281 -6.556641 70.68073 
1 1 1    1   45   16 o  232.312   40.585   1.5779   0.4866   1.8630   0.6377   1.1806   0.7528  259.214   49.659  205.411   64.206 53.80257 81.16914 
1 1 1    1   45   18 o  651.734   36.977   11.547   1.2285   13.447   1.7634   9.7556   1.7124  706.284   48.563  597.185   55.774 109.0992 73.95374 
1 1 1    1   45   20 o  188.926   40.264   0.9808   0.4607   1.4680   0.6272   0.4101   0.6789  227.485   54.369  150.366   59.404 77.11879 80.52833 
1 1 1    1   45   22 o  844.383   35.678   19.442   1.5406   21.954   2.2047   17.045   2.1538  900.342   47.630  788.424   53.133 111.9189 71.35667 
1 1 1    1   45   24 o  376.058   39.043   3.9961   0.7251   3.3279   1.0394   4.6297   1.0121  339.627   61.805  412.489   47.726 -72.86218 78.08697 
1 1 1    1   45   26 o  376.887   40.302   4.0826   0.7294   2.7856   1.0179   5.4515   1.0457  306.068   66.582  447.705   45.431 -141.6366 80.60466 
1 1 1    1   45   28 o  906.569   52.418   24.197   2.3698   27.010   3.9157   22.572   2.9770  933.260   81.609  879.877   65.808 53.38348 104.8365 
1 1 1    1   45   30 o  136.198   40.496   0.2182   0.4701   0.3287   0.5770   0.0000   0.8110  135.636   54.376  136.760   60.024 -1.123444 80.99103 
1 1 1    1   45   32 o  136.013   38.459   0.3388   0.4103   0.2051   0.5796   0.4731   0.5809  127.770   53.222  144.255   55.532 -16.48538 76.91821 
1 1 1    1   45   34 o  512.364   43.736   7.9765   1.0321   4.8042   1.4250   11.478   1.4970  384.902   74.703  639.826   45.508 -254.9242 87.47275 
1 1 1    1   46    1 o  720.302   57.414   14.908   2.1187   16.288   3.0084   13.550   2.9845  756.945   77.304  683.659   84.910 73.28595 114.8284 
1 1 1    1   46    3 f  194.707   48.725   0.7397   0.6636   1.6885   1.0026   0.0000   0.8852  242.452   73.811  146.962   63.627 95.49046 97.44952 
1 1 1    1   46    5 o  236.003   54.828   1.5739   0.7996   2.0387   1.0598   0.9597   1.2183  264.317   74.686  207.688   80.289 56.62900 109.6556 
1 1 1    1   46    7 o  546.572   42.188   7.7689   1.0882   9.2593   2.0475   7.1821   1.2847  575.488   69.202  517.656   48.273 57.83270 84.37505 
1 1 1    1   46    9 o  191.896   40.299   0.9626   0.4292   1.3892   0.6763   0.6749   0.5553  221.487   58.514  162.305   55.426 59.18143 80.59742 
1 1 1    1   46   11 o  762.206   34.815   15.614   1.3425   15.710   2.0924   15.547   1.7503  761.155   53.468  763.256   44.604 -2.101318 69.62985 
1 1 1    1   46   13 o  502.875   31.815   6.7737   0.8202   6.2124   1.1609   7.3332   1.1590  481.183   46.926  524.567   42.975 -43.38416 63.63098 
1 1 1    1   46   15 o  756.474   31.573   15.334   1.2256   14.274   1.7322   16.397   1.7343  729.195   46.205  783.753   43.040 -54.55859 63.14536 
1 1 1    1   46   17 o  654.133   37.002   11.658   1.2443   11.590   1.7664   11.725   1.7531  651.981   52.697  656.284   51.958 -4.303284 74.00413 
1 1 1    1   46   19 o  239.905   44.667   1.6755   0.5597   1.8047   0.7870   1.5433   0.7961  249.546   61.689  230.264   64.613 19.28163 89.33307 
1 1 1    1   46   21 o  367.502   39.086   3.7324   0.7365   3.3821   1.0237   4.1083   1.0604  348.777   57.089  386.228   53.400 -37.45096 78.17111 
1 1 1    1   46   23 o  422.277   37.439   4.9326   0.8119   4.6482   1.1419   5.2232   1.1545  409.211   54.274  435.342   51.584 -26.13058 74.87708 
1 1 1    1   46   25 o  379.318   56.834   4.7400   0.9691   3.8477   1.8882   5.0591   1.1292  331.382  101.380  427.253   51.407 -95.87161 113.6688 
1 1 1    1   46   27 o  231.760   81.575   1.6632   1.2068   1.6632   1.2068   0.0000   0.0000  231.760   81.575  ?   ?       ?      ? 
1 1 1    1   46   29 o  347.618   44.117   3.4509   0.7587   4.6563   1.1936   2.6335   0.9829  402.211   57.719  293.025   66.735 109.1854 88.23309 
1 1 1    1   46   31 o  298.177   41.978   2.6670   0.6286   2.9842   0.8677   2.3166   0.9120  323.473   52.175  272.881   65.776 50.59155 83.95688 
1 1 1    1   46   33 o  147.195   40.208   0.4704   0.4458   0.1716   0.6211   0.7879   0.6403  127.847   54.281  166.542   59.333 -38.69487 80.41665 
1 1 1    1   47    0 o  402.679   72.013   5.1970   1.2892   5.0454   1.8219   5.3491   1.8247  394.089  104.078  411.269   99.556 0.000000 0.000000 
1 1 1    1   47    2 o  238.974   48.511   1.7655   0.6997   0.4409   1.2178   2.4183   0.8549  185.191   77.143  292.758   58.840 -107.5668 97.02168 
1 1 1    1   47    4 f  720.064   49.838   14.864   1.7352   13.644   2.9118   15.536   2.1608  684.888   82.695  755.239   55.650 -70.35034 99.67640 
1 1 1    1   47    6 o  1198.61   38.613   39.088   2.3769   36.909   3.3466   41.307   3.3766  1163.24   55.958  1233.98   53.223 -70.74792 77.22649 
1 1 1    1   47    8 o  287.280   38.276   2.3036   0.5443   2.2241   0.7536   2.3904   0.7870  282.063   53.930  292.496   54.331 -10.43359 76.55249 
1 1 1    1   47   10 o  1106.86   31.470   32.770   1.7907   32.275   2.5237   33.271   2.5413  1098.26   44.696  1115.46   44.313 -17.19739 62.93966 
1 1 1    1   47   12 o  410.532   34.788   4.6228   0.7116   3.3571   1.0015   5.9136   1.0114  350.069   55.644  470.995   41.767 -120.9257 69.57542 
1 1 1    1   47   14 o  419.907   34.020   4.7645   0.7321   4.2936   1.0231   5.2587   1.0481  397.813   50.023  442.002   46.121 -44.18900 68.04016 
1 1 1    1   47   16 o  230.998   38.645   1.5185   0.4549   1.2342   0.6348   1.8187   0.6523  207.773   57.483  254.223   51.667 -46.45058 77.29053 
1 1 1    1   47   18 o  356.803   40.730   3.6021   0.7216   4.1384   1.0167   3.0577   1.0244  388.942   50.842  324.665   63.646 64.27707 81.46008 
1 1 1    1   47   20 o  310.105   42.737   2.7714   0.6562   2.5346   0.9018   3.0379   0.9567  295.205   61.415  325.005   59.447 -29.79950 85.47398 
1 1 1    1   47   22 o  754.117   35.871   15.706   1.3899   15.199   1.9733   16.206   1.9580  740.907   51.804  767.326   49.632 -26.41809 71.74264 
1 1 1    1   47   24 o  1031.59   54.226   32.852   2.4295   30.620   4.7592   33.638   2.8253  961.195   96.307  1101.98   49.868 -140.7899 108.4517 
1 1 1    1   47   26 o  390.678   69.697   4.6460   1.3486   4.6460   1.3486   0.0000   0.0000  390.678   69.697  ?   ?       ?      ? 
1 1 1    1   47   28 o  408.342   46.381   5.0658   0.9180   4.7194   1.4472   5.2991   1.1875  385.375   75.742  431.309   53.553 -45.93320 92.76201 
1 1 1    1   47   30 o  189.713   42.599   1.0767   0.4729   0.8594   0.6640   1.3005   0.6738  173.105   60.535  206.321   59.952 -33.21663 85.19817 
1 1 1    1   48    1 o  479.630   42.930   6.3963   1.0428   5.1650   1.4630   7.6678   1.4867  429.166   66.304  530.094   54.550 -100.9272 85.85969 
1 1 1    1   48    3 o  594.223   40.619   9.6957   1.2350   10.931   1.7745   8.5351   1.7199  632.806   54.543  555.640   60.205 77.16620 81.23759 
1 1 1    1   48    5 o  555.671   40.882   8.4798   1.1557   10.134   1.6786   6.9893   1.5936  609.703   53.550  501.639   61.789 108.0633 81.76481 
1 1 1    1   48    7 o  484.440   41.197   6.4634   1.0199   7.4115   1.4734   5.5912   1.4132  520.252   55.087  448.627   61.271 71.62540 82.39359 
1 1 1    1   48    9 o  403.063   33.077   4.3771   0.6852   4.4077   0.9844   4.3484   0.9543  404.192   47.369  401.933   46.179 2.259003 66.15350 
1 1 1    1   48   11 o  468.950   33.900   5.9736   0.8124   5.2911   1.1546   6.6430   1.1433  440.794   50.947  497.107   44.735 -56.31235 67.79961 
1 1 1    1   48   13 o  585.316   32.339   9.2810   0.9626   10.913   1.3735   7.7059   1.3495  638.347   41.851  532.284   49.311 106.0621 64.67720 
1 1 1    1   48   15 o  206.087   38.002   1.2054   0.4073   1.3643   0.5963   1.0665   0.5576  218.586   53.495  193.588   53.989 24.99774 76.00363 
1 1 1    1   48   17 o  209.612   39.818   1.2962   0.4577   1.6900   0.6154   0.8087   0.6846  244.340   50.651  174.884   61.452 69.45668 79.63635 
1 1 1    1   48   19 o  648.003   39.122   11.901   1.2610   8.6862   1.7799   15.141   1.7869  551.233   62.805  744.773   46.665 -193.5406 78.24388 
1 1 1    1   48   21 o  203.746   41.772   1.1427   0.5148   1.9262   0.7422   0.4166   0.7145  256.779   57.637  150.712   60.478 106.0662 83.54460 
1 1 1    1   48   23 o  252.369   53.323   2.1506   0.8520   0.5904   1.4663   2.9459   1.0469  193.092   82.725  311.646   67.305 -118.5536 106.6464 
1 1 1    1   48   25 o  275.957   60.726   2.5985   0.9412   2.6996   1.1555   2.3993   1.6221  289.490   76.491  262.423   94.338 27.06674 121.4520 
1 1 1    1   48   27 o  555.428   37.240   8.7984   1.0615   8.1400   1.4825   9.4912   1.5206  532.544   54.147  578.313   51.143 -45.76935 74.48097 
1 1 1    1   48   29 f  137.947   37.198   0.4488   0.3662   0.4585   0.5078   0.4382   0.5285  138.106   52.219  137.787   52.990 0.3192749 74.39587 
1 1 1    1   49    0 o  744.047   61.767   16.014   2.2470   17.933   3.1639   14.061   3.1918  797.570   78.933  690.524   95.028 -0.000000 0.000000 
1 1 1    1   49    2 o  196.257   43.874   1.0674   0.5139   0.6850   0.7404   1.4228   0.7139  170.268   63.324  222.247   60.743 -51.97964 87.74747 
1 1 1    1   49    4 o  438.084   45.936   5.5951   0.9640   3.9247   1.3771   7.1998   1.3498  362.161   76.366  514.008   51.077 -151.8468 91.87241 
1 1 1    1   49    6 o  256.731   46.142   1.9365   0.6153   2.2432   0.8632   1.6197   0.8774  278.530   61.890  234.932   68.455 43.59796 92.28399 
1 1 1    1   49    8 o  192.446   42.746   1.0454   0.4732   0.9273   0.6972   1.1463   0.6445  184.478   62.109  200.413   58.748 -15.93526 85.49205 
1 1 1    1   49   10 o  1442.60   31.815   56.189   2.3592   57.611   3.3447   54.783   3.3281  1461.48   44.514  1423.72   45.467 37.76758 63.63001 
1 1 1    1   49   12 o  254.446   46.677   1.2430   0.5286   0.7622   0.5823   3.4969   1.2607  168.384   56.760  340.509   74.117 -172.1251 93.35423 
1 1 1    1   49   14 o  206.980   39.521   1.2339   0.4346   1.0144   0.6120   1.4574   0.6174  188.714   57.712  225.247   54.009 -36.53308 79.04231 
1 1 1    1   49   16 o  278.863   38.264   2.1991   0.5352   2.7244   0.7759   1.7223   0.7393  315.374   47.855  242.353   59.719 73.02048 76.52801 
1 1 1    1   49   18 o  273.007   39.996   2.1681   0.5427   1.9969   0.7775   2.3309   0.7580  260.749   59.331  285.266   53.652 -24.51743 79.99201 
1 1 1    1   49   20 f  361.033   57.322   4.9121   1.0194   2.4197   2.0006   5.7862   1.1848  266.231  102.897  455.835   50.554 -189.6037 114.6448 
1 1 1    1   49   22 o  433.275  101.229   6.6974   2.2143   6.6974   2.2143   0.0000   0.0000  433.275  101.229  ?   ?       ?      ? 
1 1 1    1   49   24 o  449.630   66.597   7.7914   1.4627   9.2539   1.8047   4.9916   2.4971  559.287   62.764  339.972  117.478 219.3153 133.1932 
1 1 1    1   49   26 f  271.854   45.175   2.3019   0.6300   2.8939   0.9006   1.7348   0.8815  310.584   58.550  233.123   68.811 77.46100 90.34966 
1 1 1    1   50    1 o  398.079   45.564   4.5785   0.8976   3.8116   1.2767   5.3281   1.2622  357.913   71.876  438.246   56.018 -80.33301 91.12789 
1 1 1    1   50    3 o  487.754   50.344   6.2785   1.1713   4.4380   1.4315   10.007   2.0374  384.443   75.120  591.065   67.046 -206.6213 100.6880 
1 1 1    1   50    5 o  370.627   54.397   4.1966   0.9757   4.3736   1.2146   3.8744   1.6385  394.645   59.861  346.608   90.845 48.03723 108.7944 
1 1 1    1   50    7 o  274.589   47.570   2.4034   0.7139   3.1043   0.9028   1.2338   1.1662  335.610   52.320  213.568   79.461 122.0423 95.13956 
1 1 1    1   50    9 f  454.634   34.923   5.6882   0.8049   6.8182   1.1507   4.6060   1.1262  501.641   44.618  407.628   53.737 94.01263 69.84589 
1 1 1    1   50   11 o  130.977   35.733   0.3345   0.3441   0.4597   0.4875   0.2102   0.4857  139.985   51.511  121.969   49.539 18.01526 71.46685 
1 1 1    1   50   13 o  422.465   39.612   5.2233   0.7660   2.9611   1.0712   7.5899   1.0957  313.976   68.305  530.954   40.137 -216.9775 79.22492 
1 1 1    1   50   15 o  243.664   40.625   1.7350   0.5020   1.5156   0.6976   1.9706   0.7229  226.676   59.209  260.652   55.641 -33.97559 81.25033 
1 1 1    1   50   17 o  146.617   37.024   0.5338   0.3561   0.6872   0.5158   0.3942   0.4922  158.722   53.424  134.511   51.275 24.21031 74.04875 
1 1 1    1   50   19 o  402.981   47.249   4.9644   0.9164   4.3261   1.4381   5.4007   1.1890  368.453   78.331  437.509   52.858 -69.05530 94.49708 
1 1 1    1   50   21 f  234.058   73.336   1.7432   0.9814   1.7432   0.9814   0.0000   0.0000  234.058   73.336  ?   ?       ?      ? 
1 1 1    1   50   23 o  311.977   48.526   2.7790   0.7725   4.5444   1.2876   1.7862   0.9656  388.774   64.421  235.180   72.589 153.5937 97.05282 
1 1 1    1   50   25 o  146.567   39.906   0.5147   0.4217   0.4724   0.6543   0.5448   0.5515  146.734   58.205  146.400   54.609 0.3343811 79.81192 
1 1 1    1   51    0 o  209.841   66.908   1.7760   0.8623   2.5598   1.2164   0.9845   1.2224  261.291   97.311  158.391   91.853 0.000000 0.000000 
1 1 1    1   51    2 o  231.264   46.036   1.5717   0.5925   1.0368   0.8277   2.1336   0.8484  193.447   67.592  269.080   62.518 -75.63284 92.07112 
1 1 1    1   51    4 o  230.047   49.235   1.6885   0.6953   2.2276   0.8433   0.5442   1.2287  275.657   61.110  184.436   77.214 91.22133 98.47074 
1 1 1    1   51    6 o  542.889   51.396   7.9864   1.3472   6.6596   1.6048   11.152   2.4790  480.436   64.972  605.342   79.654 -124.9050 102.7918 
1 1 1    1   51    8 o  296.583   47.150   2.6375   0.7014   2.6977   0.9803   2.5745   1.0040  301.003   65.227  292.163   68.101 8.839905 94.29925 
1 1 1    1   51   10 o  340.479   38.591   3.2814   0.6568   3.7287   0.9464   2.8659   0.9122  366.942   50.164  314.016   58.657 52.92657 77.18200 
1 1 1    1   51   12 o  539.001   33.688   8.0069   0.9324   8.5203   1.3318   7.5133   1.3059  556.787   46.523  521.214   48.735 35.57324 67.37528 
1 1 1    1   51   14 o  225.917   39.271   1.4982   0.4527   1.4908   0.6514   1.5050   0.6297  225.010   56.415  226.824   54.645 -1.813766 78.54128 
1 1 1    1   51   16 o  238.004   48.853   1.7048   0.6288   2.1536   0.9839   1.3949   0.8177  261.930   71.196  214.077   66.916 47.85287 97.70668 
1 1 1    1   51   18 o  210.534   52.333   1.3109   0.6252   1.3281   0.6965   1.2396   1.4182  209.631   60.964  211.438   85.077 -1.806396 104.6651 
1 1 1    1   51   20 o  217.129   53.054   1.0577   0.6390   0.6055   0.7243   2.6456   1.3573  159.151   61.800  275.106   86.253 -115.9544 106.1073 
1 1 1    1   51   22 o  565.772   40.731   9.4731   1.1613   11.467   1.6519   7.5247   1.6330  633.081   50.751  498.463   63.721 134.6185 81.46189 
1 1 1    1   52    1 o  169.806   43.890   0.6440   0.5191   1.1725   0.7836   0.2308   0.6929  200.418   65.798  139.194   58.103 61.22424 87.78033 
1 1 1    1   52    3 o  401.666   47.518   4.8495   0.9322   6.0151   1.3099   3.6534   1.3269  462.090   55.136  341.242   77.409 120.8482 95.03699 
1 1 1    1   52    5 o  699.490   41.011   13.924   1.4728   14.882   2.1060   13.007   2.0605  724.741   56.520  674.239   59.440 50.50220 82.02248 
1 1 1    1   52    7 o  230.117   45.330   1.5674   0.6015   0.7917   0.8432   2.3713   0.8584  177.326   67.229  282.909   60.823 -105.5833 90.65964 
1 1 1    1   52    9 o  221.294   44.924   1.4508   0.5775   0.7703   0.8145   2.1386   0.8189  174.675   66.112  267.913   60.842 -93.23848 89.84707 
1 1 1    1   52   11 o  272.518   40.570   2.1834   0.5493   2.1321   0.7493   2.2429   0.8076  269.848   55.849  275.188   58.862 -5.340332 81.14091 
1 1 1    1   52   13 o  191.535   45.076   1.0616   0.5111   1.1931   0.8115   0.9752   0.6581  199.852   67.012  183.217   60.307 16.63541 90.15269 
1 1 1    1   52   15 o  217.003   46.968   1.2932   0.5869   2.2251   0.9596   0.7364   0.7418  265.674   69.471  168.331   63.227 97.34271 93.93518 
1 1 1    1   52   17 o  191.077   50.732   0.9568   0.6063   0.8283   0.7004   1.3411   1.2108  172.163   61.979  209.992   80.335 -37.82938 101.4646 
1 1 1    1   52   19 o  161.052   40.842   0.6959   0.4374   0.9307   0.6276   0.4741   0.6101  177.350   58.918  144.754   56.577 32.59654 81.68437 
1 1 1    1   53    0 o  158.209   63.266   1.0536   0.7885   1.0382   1.1869   1.0658   1.0549  158.097   91.021  158.322   87.896 -0.000000 0.000000 
1 1 1    1   53    2 o  529.962   44.794   8.2921   1.1881   10.331   1.6924   6.3110   1.6683  603.225   54.569  456.699   71.052 146.5255 89.58873 
1 1 1    1   53    4 o  171.141   40.894   0.6751   0.4854   0.0000   0.6728   1.4083   0.7011  125.730   54.940  216.552   60.589 -90.82175 81.78833 
1 1 1    1   53    6 o  732.227   41.278   15.470   1.5498   14.124   2.1660   16.883   2.2185  696.666   60.473  767.788   56.202 -71.12238 82.55681 
1 1 1    1   53    8 o  173.407   48.093   0.7349   0.6243   0.0000   1.2354   0.9870   0.7235  162.116   72.454  184.697   63.264 -22.58064 96.18637 
1 1 1    1   53   10 o  555.700   45.452   9.2225   1.2819   8.9400   1.9436   9.4401   1.7055  541.280   69.841  570.120   58.186 -28.83948 90.90333 
1 1 1    1   53   12 o  485.342   48.039   6.8683   1.1167   10.193   1.7641   4.6458   1.4424  591.142   58.045  379.541   76.561 211.6014 96.07707 
1 1 1    1   53   14 o  271.654   48.824   2.8529   0.8463   3.7702   0.9729   0.0000   1.7158  362.796   52.160  180.511   82.549 182.2845 97.64721 
1 1 1    1   53   16 o  167.108   45.529   0.7352   0.5632   0.9890   0.6531   0.0000   1.1118  181.682   60.094  152.534   68.412 29.14806 91.05808 
1 1 1    1   54    1 o  414.943   70.566   6.3377   1.5224   8.1200   2.2038   4.7106   2.1057  485.660   91.621  344.225  107.350 141.4348 141.1326 
1 1 1    1   54    3 o  135.990   40.994   0.1942   0.4885   0.0000   0.8542   0.2886   0.5954  138.471   61.156  133.509   54.606 4.961456 81.98758 
1 1 1    1   54    5 o  281.752   62.427   2.8382   1.0776   1.7367   1.5745   3.8091   1.4781  230.694   90.677  332.810   85.828 -102.1161 124.8549 
1 1 1    1   54    7 o  246.651   58.148   2.1111   0.9261   1.1995   1.4572   2.7289   1.1995  208.043   85.297  285.259   79.052 -77.21564 116.2960 
1 1 1    1   54    9 o  299.505   70.333   2.8668   1.0645   2.8668   1.0645   0.0000   0.0000  299.505   70.333  ?   ?       ?      ? 
1 1 1    1   54   11 o  231.764   51.104   1.9462   0.7980   2.5887   0.9203   0.0000   1.6017  288.586   63.730  174.943   79.907 113.6437 102.2087 
1 1 1    1   54   13 f  381.112   60.737   4.9736   1.1012   4.8035   1.3141   5.3748   2.0179  395.803   64.578  366.421  102.886 29.38193 121.4742 
1 1 1    1   55    0 o  243.168  112.289   2.7319   1.5461   0.0000   0.0000   2.7319   1.5461  243.168  112.289  243.168  112.289 0.000000 0.000000 
1 1 1    1   55    2 o  169.639   49.220   0.5634   0.7165   0.0000   1.0504   1.0537   0.9798  149.155   66.725  190.123   72.377 -40.96779 98.44082 
1 1 1    1   55    4 o  222.690   71.577   1.6172   0.9299   1.6172   0.9299   0.0000   0.0000  222.690   71.577  ?   ?       ?      ? 
1 1 1    1   55    6 o  485.129   63.470   7.1705   1.5831   7.1705   1.5831   0.0000   0.0000  485.129   63.470  ?   ?       ?      ? 
1 1 1    2    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0    2 o  1427.16   37.267   52.682   2.7256   53.750   3.8594   51.619   3.8497  1441.74   52.222  1412.58   53.180 -0.000000 0.000000 
1 1 1    2    0    4 o  950.085   38.309   23.480   1.8573   23.513   2.6194   23.446   2.6339  950.812   53.982  949.359   54.372 0.000000 0.000000 
1 1 1    2    0    6 f  1259.96   38.423   41.130   2.4780   40.232   3.5012   42.032   3.5076  1246.00   54.898  1273.93   53.773 -0.000000 0.000000 
1 1 1    2    0    8 o  138.220   43.700   0.7109   0.3307   0.6846   0.4669   0.7373   0.4685  135.197   61.739  141.243   61.865 0.000000 0.000000 
1 1 1    2    0   10 o  2021.31   38.633  105.516   4.0077  106.100   5.6387  104.920   5.6973  2027.04   54.193  2015.57   55.073 0.000000 0.000000 
1 1 1    2    0   12 o  2768.42   55.186  197.750   7.8477   0.0000   0.0000  197.750   7.8477  2768.42   55.186  2768.42   55.186 0.000000 0.000000 
1 1 1    2    0   14 o  1695.96   54.893   74.370   4.7750   74.370   4.7750   0.0000   0.0000  1695.96   54.893  1695.96   54.893 0.000000 0.000000 
1 1 1    2    0   16 o  1038.43   55.405   28.044   2.9387   0.0000   0.0000   28.044   2.9387  1038.43   55.405  1038.43   55.405 -0.000000 0.000000 
1 1 1    2    0   18 o  1116.57   55.658   32.424   3.1770   32.424   3.1770   0.0000   0.0000  1116.57   55.658  1116.57   55.658 0.000000 0.000000 
1 1 1    2    0   20 o  766.711   56.454   15.442   2.1976   0.0000   0.0000   15.442   2.1976  766.711   56.454  766.711   56.454 -0.000000 0.000000 
1 1 1    2    0   22 o  1525.87   55.841   60.402   4.3673   60.402   4.3673   0.0000   0.0000  1525.87   55.841  1525.87   55.841 0.000000 0.000000 
1 1 1    2    0   24 o  1127.41   56.788   33.046   3.2726   0.0000   0.0000   33.046   3.2726  1127.41   56.788  1127.41   56.788 -0.000000 0.000000 
1 1 1    2    0   26 o  3890.81   39.614  389.859   7.9224   0.0000   0.0000  389.859   7.9224  3890.81   39.614  3890.81   39.614 -0.000000 0.000000 
1 1 1    2    0   28 o  936.240   40.098   22.690   1.9221   22.690   1.9221   0.0000   0.0000  936.240   40.098  936.240   40.098 0.000000 0.000000 
1 1 1    2    0   30 o  2913.27   39.895  218.650   5.9729   0.0000   0.0000  218.650   5.9729  2913.27   39.895  2913.27   39.895 -0.000000 0.000000 
1 1 1    2    0   32 o  651.799   40.928   11.071   1.3591   11.071   1.3591   0.0000   0.0000  651.799   40.928  651.799   40.928 0.000000 0.000000 
1 1 1    2    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   36 o  846.968   40.937   18.621   1.7731   0.0000   0.0000   18.621   1.7731  846.968   40.937  846.968   40.937 -0.000000 0.000000 
1 1 1    2    0   38 o  1382.59   40.811   49.461   2.8953   49.461   2.8953   0.0000   0.0000  1382.59   40.811  1382.59   40.811 0.000000 0.000000 
1 1 1    2    0   40 o   95.739   50.809   0.3420   0.3369   0.3420   0.3369   0.0000   0.0000   95.739   50.809   95.739   50.809 0.000000 0.000000 
1 1 1    2    0   42 o   72.694   43.575   0.1403   0.2916   0.1403   0.2916   0.0000   0.0000   72.694   43.575   72.694   43.575 0.000000 0.000000 
1 1 1    2    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   46 o  821.221   42.487   17.672   1.7829   17.672   1.7829   0.0000   0.0000  821.221   42.487  821.221   42.487 0.000000 0.000000 
1 1 1    2    0   48 o  302.033   49.309   2.5621   0.7044   2.5621   0.7044   0.0000   0.0000  302.033   49.309  302.033   49.309 0.000000 0.000000 
1 1 1    2    0   50 f  735.853   42.894   14.289   1.6101   14.289   1.6101   0.0000   0.0000  735.853   42.894  735.853   42.894 0.000000 0.000000 
1 1 1    2    0   52 o   62.886   40.619   0.0000   0.3067   0.0000   0.3067   0.0000   0.0000   62.886   40.619   62.886   40.619 0.000000 0.000000 
1 1 1    2    0   54 o  332.430   51.460   3.1191   0.8168   3.1191   0.8168   0.0000   0.0000  332.430   51.460  332.430   51.460 0.000000 0.000000 
1 1 1    2    0   56 o  256.763   61.256   2.0309   0.7016   2.0309   0.7016   0.0000   0.0000  256.763   61.256  256.763   61.256 0.000000 0.000000 
1 1 1    2    0   58 o  310.802   53.304   2.8026   0.7766   2.8026   0.7766   0.0000   0.0000  310.802   53.304  310.802   53.304 0.000000 0.000000 
1 1 1    2    1    1 o  573.432   33.642   7.7173   0.9350   10.926   1.7090   6.3462   1.1171  650.702   51.084  496.163   43.791 154.5388 67.28446 
1 1 1    2    1    3 o  865.708   26.581   19.319   1.1819   20.294   1.6709   18.343   1.6720  887.627   36.615  843.789   38.542 43.83740 53.16184 
1 1 1    2    1    5 o  1661.01   26.905   71.076   2.2976   70.488   3.2425   71.670   3.2560  1654.10   38.129  1667.92   37.970 -13.81775 53.81017 
1 1 1    2    1    7 f  1397.87   32.934   50.270   2.2403   50.002   2.7516   50.798   3.8584  1393.10   38.418  1402.64   53.505 -9.545288 65.86894 
1 1 1    2    1    9 o  4996.45   33.758  653.902   8.1200  673.322   9.9599  615.410   14.022  5112.09   37.896  4880.81   55.879 231.2803 67.51656 
1 1 1    2    1   11 f  1422.61   38.628   52.277   2.8252   52.565   4.0056   51.992   3.9854  1426.50   54.616  1418.71   54.640 7.788574 77.25602 
1 1 1    2    1   13 o  1872.14   33.855   91.351   3.0627   93.162   3.7598   87.780   5.2801  1901.29   38.463  1842.98   55.725 58.30627 67.71077 
1 1 1    2    1   15 o  772.506   33.440   15.303   1.2603   15.083   1.5489   15.734   2.1680  764.849   39.390  780.163   54.050 -15.31384 66.88067 
1 1 1    2    1   17 o  716.663   34.497   14.294   1.0598   15.275   1.2271   11.414   2.1021  769.973   30.998  663.352   61.638 106.6207 68.99335 
1 1 1    2    1   19 f  2074.11   33.126  108.405   3.3708  101.960   4.1305  121.256   5.8326  1986.20   40.449  2162.03   52.472 -175.8369 66.25284 
1 1 1    2    1   21 o  1152.52   34.400   34.822   1.9167   35.602   2.3565   33.297   3.2948  1173.56   39.056  1131.48   56.639 42.08044 68.79967 
1 1 1    2    1   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1   25 o  452.214   34.258   5.2577   0.7558   5.2051   0.9298   5.3602   1.2975  449.233   40.257  455.195   55.441 -5.962311 68.51544 
1 1 1    2    1   27 o  1348.28   34.011   46.310   2.2349   45.035   2.7353   48.870   3.8761  1321.60   40.256  1374.96   54.832 -53.35376 68.02295 
1 1 1    2    1   29 o  790.393   28.675   16.199   1.1542   18.837   1.6377   13.596   1.6270  854.871   37.261  725.915   43.595 128.9556 57.34908 
1 1 1    2    1   31 o  1968.57   28.355  100.019   2.8668  105.658   4.0640   94.434   4.0445  2024.00   39.055  1913.14   41.119 110.8584 56.71047 
1 1 1    2    1   33 o  310.569   43.912   2.5893   0.6766   2.4901   0.9465   2.6931   0.9674  304.275   62.593  316.862   61.605 -12.58694 87.82410 
1 1 1    2    1   35 o  1378.71   28.576   49.126   2.0244   51.097   2.8648   47.160   2.8609  1406.48   39.618  1350.94   41.191 55.54102 57.15142 
1 1 1    2    1   37 o  1376.65   28.696   49.061   2.0285   46.037   2.8560   52.140   2.8817  1333.58   41.655  1419.72   39.480 -86.14404 57.39193 
1 1 1    2    1   39 o  1582.14   28.832   64.936   2.3450   65.913   3.3198   63.963   3.3130  1594.11   40.507  1570.17   41.039 23.94727 57.66303 
1 1 1    2    1   41 o  800.067   29.357   16.696   1.2005   18.918   1.7094   14.534   1.6865  853.284   38.966  746.851   43.921 106.4326 58.71453 
1 1 1    2    1   43 o  656.855   42.392   11.489   1.4213   13.107   2.0195   9.9005   2.0008  704.237   55.778  609.474   63.852 94.76300 84.78356 
1 1 1    2    1   45 o   86.995   25.484   0.0438   0.1827   0.1129   0.2934   0.0000   0.2336   96.106   38.686   77.885   33.185 18.22084 50.96873 
1 1 1    2    1   47 o  191.801   32.006   0.9680   0.3408   0.4172   0.4686   1.5864   0.4965  137.850   50.532  245.751   39.295 -107.9013 64.01248 
1 1 1    2    1   49 o  116.076   30.933   0.2174   0.2641   0.0000   0.3635   0.4605   0.3845   96.356   41.233  135.796   46.121 -39.44054 61.86508 
1 1 1    2    1   51 o  300.146   34.179   2.4846   0.5034   1.9087   0.7121   3.0600   0.7118  260.687   54.870  339.605   40.769 -78.91806 68.35809 
1 1 1    2    1   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1   55 f  136.680   35.173   0.4415   0.3203   0.4897   0.4627   0.3972   0.4437  141.041   50.416  132.318   49.059 8.722977 70.34637 
1 1 1    2    1   57 o  125.299   32.073   0.3678   0.2744   0.1812   0.4133   0.5148   0.3669  112.562   45.704  138.035   45.009 -25.47196 64.14557 
1 1 1    2    1   59 o  174.998   35.879   0.9028   0.3473   1.0718   0.4773   0.7128   0.5062  191.395   48.460  158.601   52.924 32.79428 71.75887 
1 1 1    2    2    0 o  749.604   43.214   14.711   1.6068   14.481   2.0700   15.059   2.5485  743.758   54.819  755.450   66.818 -0.000000 0.000000 
1 1 1    2    2    2 o  1105.68   27.679   31.500   1.5722   29.902   2.2110   33.136   2.2361  1077.24   39.922  1134.11   38.349 -56.86365 55.35712 
1 1 1    2    2    4 o  827.703   26.654   17.651   1.1340   18.032   1.6028   17.270   1.6047  836.657   37.261  818.750   38.122 17.90710 53.30737 
1 1 1    2    2    6 o  1296.46   32.796   43.361   2.0669   43.384   2.5397   43.315   3.5571  1297.67   38.067  1295.25   53.417 2.423828 65.59289 
1 1 1    2    2    8 o  1511.69   33.723   60.226   2.4502   62.765   3.0116   55.255   4.2138  1560.85   37.529  1462.52   56.040 98.33289 67.44591 
1 1 1    2    2   10 o  400.580   38.584   4.1491   0.7937   3.9499   1.1283   4.3442   1.1168  390.997   56.126  410.163   52.960 -19.16507 77.16797 
1 1 1    2    2   12 o  712.907   54.554   13.130   1.9995   13.130   1.9995   0.0000   0.0000  712.907   54.554  ?   ?       ?      ? 
1 1 1    2    2   14 o  1174.47   33.821   35.876   1.9211   36.422   2.3574   34.797   3.3145  1188.71   38.574  1160.22   55.566 28.49097 67.64276 
1 1 1    2    2   16 o  626.157   35.327   10.569   1.0484   11.398   1.2878   8.9384   1.8052  664.882   37.672  587.433   59.774 77.44916 70.65447 
1 1 1    2    2   18 o  180.333   32.267   0.9005   0.2767   0.9566   0.3214   0.7400   0.5439  189.712   34.214  170.954   54.717 18.75766 64.53339 
1 1 1    2    2   20 o  850.884   32.453   18.935   1.2267   19.117   1.4191   18.396   2.4400  860.741   32.068  841.028   56.431 19.71307 64.90591 
1 1 1    2    2   22 o  145.794   31.602   0.5655   0.2561   0.6483   0.3096   0.3861   0.4557  155.392   38.858  136.195   49.849 19.19641 63.20455 
1 1 1    2    2   24 o  1810.05   39.611   84.961   3.6751   93.012   5.2184   77.039   5.1766  1895.82   53.539  1724.28   58.394 171.5396 79.22287 
1 1 1    2    2   26 o  824.091   33.721   17.220   1.3599   16.551   1.6678   18.546   2.3488  801.141   40.492  847.041   53.934 -45.90009 67.44259 
1 1 1    2    2   28 o  950.445   33.452   22.490   1.5591   20.747   1.9035   26.043   2.7177  896.958   41.278  1003.93   52.654 -106.9741 66.90500 
1 1 1    2    2   30 o  358.798   37.728   3.4595   0.6242   3.6032   0.7599   3.1616   1.0942  373.790   39.543  343.806   64.265 29.98364 75.45621 
1 1 1    2    2   32 o  538.443   34.640   7.3734   0.9104   7.1213   1.1147   7.8786   1.5780  525.281   41.275  551.605   55.642 -26.32410 69.27995 
1 1 1    2    2   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2   36 o  395.766   33.164   4.2462   0.6148   2.5806   0.8618   5.9725   0.8774  310.556   56.040  480.976   35.482 -170.4206 66.32801 
1 1 1    2    2   38 o  734.807   28.918   13.991   1.0924   14.042   1.5424   13.940   1.5475  736.173   40.752  733.441   41.039 2.731750 57.83550 
1 1 1    2    2   40 o  1932.95   29.005   97.095   2.8807  100.979   4.0760   93.219   4.0720  1971.98   40.203  1893.92   41.819 78.06140 58.00969 
1 1 1    2    2   42 o  835.506   29.267   18.200   1.2558   19.217   1.7808   17.194   1.7713  859.026   40.322  811.986   42.430 47.03986 58.53337 
1 1 1    2    2   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2   46 o  836.585   30.031   18.394   1.2844   15.909   1.7823   21.080   1.8525  776.843   44.625  896.327   40.200 -119.4843 60.06179 
1 1 1    2    2   48 o  643.907   30.150   10.964   0.9958   10.042   1.3969   11.917   1.4201  615.742   44.125  672.073   41.099 -56.33063 60.30072 
1 1 1    2    2   50 o  300.753   32.714   2.4488   0.4902   2.0813   0.6846   2.8354   0.7021  274.522   50.362  326.985   41.766 -52.46338 65.42753 
1 1 1    2    2   52 o  180.699   35.929   0.8582   0.3709   1.3765   0.5497   0.4250   0.5026  221.799   49.465  139.600   52.122 82.19916 71.85725 
1 1 1    2    2   54 o  714.990   37.782   13.724   1.3210   15.304   2.2912   12.937   1.6167  738.377   60.354  691.603   45.468 46.77399 75.56411 
1 1 1    2    2   56 o  249.056   35.727   1.7498   0.4404   2.0251   0.6611   1.5302   0.5904  267.125   49.976  230.986   51.071 36.13887 71.45487 
1 1 1    2    2   58 o  289.181   36.769   2.4231   0.5284   2.0262   0.7587   2.7968   0.7362  260.516   58.124  317.846   45.050 -57.33096 73.53899 
1 1 1    2    3    1 o  1779.41   33.090   81.983   2.7218   80.915   5.1136   82.405   3.2150  1770.01   56.193  1788.80   34.959 -18.79224 66.17945 
1 1 1    2    3    3 o  885.156   27.059   20.184   1.2314   20.114   1.7320   20.257   1.7510  883.595   38.126  886.716   38.409 -3.121033 54.11842 
1 1 1    2    3    5 o  858.750   26.644   18.998   1.1763   18.960   1.6651   19.036   1.6621  857.890   37.752  859.609   37.608 -1.718994 53.28732 
1 1 1    2    3    7 o  927.061   26.878   22.144   1.2810   21.890   1.8131   22.397   1.8101  921.743   38.260  932.378   37.760 -10.63519 53.75524 
1 1 1    2    3    9 o  1712.52   27.063   75.590   2.3819   77.836   3.3633   73.329   3.3738  1738.12   37.637  1686.92   38.900 51.20117 54.12693 
1 1 1    2    3   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3   13 f  1267.33   33.316   41.450   2.0520   41.457   2.5205   41.438   3.5336  1268.28   38.656  1266.38   54.274 1.891846 66.63234 
1 1 1    2    3   15 o  1526.03   33.531   60.162   2.4820   60.227   3.0436   60.033   4.2886  1528.39   38.733  1523.68   54.747 4.714966 67.06272 
1 1 1    2    3   17 o  862.052   34.884   19.843   1.4341   21.048   1.7608   17.468   2.4716  903.256   37.916  820.848   58.567 82.40802 69.76895 
1 1 1    2    3   19 o  1558.89   33.568   62.276   2.5494   60.881   3.1231   65.060   4.4134  1534.83   39.578  1582.94   54.230 -48.10913 67.13648 
1 1 1    2    3   21 o  1729.04   35.055   79.693   2.8983   83.918   3.5591   71.376   4.9936  1802.00   38.417  1656.07   58.649 145.9280 70.11089 
1 1 1    2    3   23 o  1045.54   56.375   28.348   3.0304   28.348   3.0304   0.0000   0.0000  1045.54   56.375  ?   ?       ?      ? 
1 1 1    2    3   25 o  1163.09   31.318   33.658   1.6488   32.352   1.9037   37.576   3.2981  1120.60   33.043  1205.57   53.211 -84.97290 62.63571 
1 1 1    2    3   27 o  804.534   34.817   16.931   1.3532   17.375   1.6638   16.064   2.3259  820.956   39.418  788.112   57.402 32.84363 69.63351 
1 1 1    2    3   29 o  1825.59   34.523   86.007   3.0555   85.880   3.7425   86.260   5.2917  1824.98   39.887  1826.20   56.360 -1.226074 69.04697 
1 1 1    2    3   31 o  1446.24   34.152   53.213   2.4060   51.530   2.9408   56.620   4.1843  1413.29   40.472  1479.19   55.021 -65.90210 68.30346 
1 1 1    2    3   33 o  316.938   62.810   2.6977   0.9873   2.6977   0.9873   0.0000   0.0000  316.938   62.810  ?   ?       ?      ? 
1 1 1    2    3   35 o  628.783   39.733   11.343   1.1336   13.252   1.3956   7.6419   1.9434  716.407   37.891  541.158   69.850 175.2484 79.46552 
1 1 1    2    3   37 o  926.164   28.818   22.203   1.3721   22.397   1.9345   22.007   1.9465  930.281   40.447  922.047   41.060 8.234253 57.63621 
1 1 1    2    3   39 o  1561.59   28.962   63.311   2.3228   66.732   3.2886   59.906   3.2812  1604.09   39.876  1519.09   42.012 84.99377 57.92369 
1 1 1    2    3   41 o  902.784   29.143   21.207   1.3526   21.351   1.9121   21.062   1.9137  905.906   41.054  899.661   41.375 6.244751 58.28660 
1 1 1    2    3   43 o  356.883   45.659   3.5203   0.7994   2.2687   1.1138   4.8502   1.1481  284.682   75.035  429.083   52.043 -144.4002 91.31707 
1 1 1    2    3   45 o  686.001   30.114   12.374   1.0563   13.979   1.5059   10.820   1.4821  730.679   40.087  641.323   44.951 89.35504 60.22879 
1 1 1    2    3   47 o  732.389   30.007   14.170   1.1263   15.450   1.5935   12.892   1.5921  766.349   40.445  698.428   44.338 67.92084 60.01379 
1 1 1    2    3   49 o  221.316   35.683   1.3685   0.4020   1.7481   0.5718   0.9976   0.5652  252.832   45.672  189.799   54.838 63.03375 71.36585 
1 1 1    2    3   51 o  916.317   30.484   22.378   1.4347   21.302   2.0303   23.451   2.0277  893.489   44.199  939.144   41.995 -45.65491 60.96828 
1 1 1    2    3   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3   55 o  370.485   35.447   3.8712   0.6352   2.8112   0.8967   4.9387   0.8999  312.554   57.938  428.416   40.855 -115.8622 70.89451 
1 1 1    2    3   57 o  163.111   33.354   0.7563   0.3057   0.9804   0.4225   0.5099   0.4430  185.571   44.796  140.650   49.430 44.92090 66.70812 
1 1 1    2    3   59 o  140.980   34.490   0.5347   0.3037   0.5360   0.4484   0.5336   0.4129  141.749   49.737  140.211   47.796 1.538544 68.97952 
1 1 1    2    4    0 o  1821.67   40.279   84.970   3.5441   88.102   6.2032   83.453   4.3182  1844.85   65.589  1798.48   46.773 0.000000 0.000000 
1 1 1    2    4    2 o  227.525   34.525   1.4182   0.3864   1.1442   0.6340   1.5800   0.4873  207.401   57.475  247.648   38.270 -40.24777 69.05037 
1 1 1    2    4    4 o  1428.13   26.820   52.566   1.9684   53.986   2.7718   51.122   2.7957  1447.65   37.241  1408.62   38.604 39.02869 53.63942 
1 1 1    2    4    6 o  2204.19   26.644  125.210   3.0176  119.983   4.2627  130.460   4.2723  2157.97   38.421  2250.40   36.926 -92.43359 53.28871 
1 1 1    2    4    8 o  683.516   26.931   12.043   0.9458   11.568   1.3387   12.516   1.3364  670.038   38.861  696.994   37.294 -26.95514 53.86124 
1 1 1    2    4   10 o  1026.64   54.411   27.225   2.8719   27.225   2.8719   0.0000   0.0000  1026.64   54.411  ?   ?       ?      ? 
1 1 1    2    4   12 o  923.340   27.229   21.971   1.2926   21.921   1.8285   22.022   1.8275  922.271   38.562  924.409   38.453 -2.137695 54.45806 
1 1 1    2    4   14 o  1812.44   27.356   84.683   2.5490   85.638   3.6055   83.729   3.6042  1822.69   38.475  1802.20   38.899 20.48828 54.71275 
1 1 1    2    4   16 f  569.373   27.535   8.3644   0.8055   7.9896   1.1367   8.7426   1.1416  556.516   39.728  582.231   38.138 -25.71521 55.07077 
1 1 1    2    4   18 o  928.460   33.771   22.374   1.5197   22.495   1.8644   22.135   2.6234  933.296   38.855  923.624   55.246 9.672363 67.54110 
1 1 1    2    4   20 o  752.577   34.590   14.944   1.2532   15.458   1.5398   13.936   2.1568  773.311   38.730  731.843   57.323 41.46851 69.18069 
1 1 1    2    4   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4   24 o  1338.22   34.427   46.653   2.2278   47.406   2.7344   45.167   3.8423  1355.65   39.232  1320.79   56.583 34.86279 68.85316 
1 1 1    2    4   26 o  1058.59   33.799   28.335   1.7495   27.087   2.1417   30.837   3.0332  1024.92   40.645  1092.26   54.013 -67.34363 67.59795 
1 1 1    2    4   28 o  356.611   37.529   3.4010   0.6214   3.5237   0.7594   3.1525   1.0810  369.682   39.954  343.540   63.542 26.14258 75.05894 
1 1 1    2    4   30 o  311.147   38.916   2.7041   0.5600   3.0017   0.6905   2.1324   0.9571  341.163   39.365  281.130   67.144 60.03317 77.83280 
1 1 1    2    4   32 o  1105.47   35.469   32.238   1.8856   33.504   2.3174   29.757   3.2437  1139.50   39.556  1071.44   58.885 68.05640 70.93769 
1 1 1    2    4   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4   36 o  614.507   34.669   9.6480   1.0405   9.3488   1.2757   10.242   1.7983  601.244   41.271  627.769   55.719 -26.52527 69.33886 
1 1 1    2    4   38 o  496.149   35.653   6.2951   0.8633   6.0628   1.0564   6.7621   1.4979  483.499   42.496  508.798   57.261 -25.29929 71.30693 
1 1 1    2    4   40 o  1443.35   29.040   54.134   2.1549   54.433   3.0441   53.833   3.0508  1447.41   40.907  1439.29   41.229 8.113037 58.07928 
1 1 1    2    4   42 o  743.671   29.282   14.416   1.1195   14.295   1.5783   14.539   1.5883  740.515   41.456  746.827   41.365 -6.312134 58.56307 
1 1 1    2    4   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4   46 o  271.256   33.813   2.0110   0.4524   1.5249   0.6430   2.4876   0.6366  234.654   54.363  307.857   40.223 -73.20306 67.62582 
1 1 1    2    4   48 o  220.005   33.494   1.3119   0.3924   2.1505   0.5735   0.5738   0.5380  285.822   39.025  154.188   54.447 131.6337 66.98863 
1 1 1    2    4   50 o  769.608   30.374   15.737   1.2018   15.501   1.6893   15.980   1.7100  763.719   43.023  775.496   42.889 -11.77722 60.74878 
1 1 1    2    4   52 o  222.380   36.148   1.3769   0.4070   1.7180   0.5989   1.0841   0.5548  248.600   48.601  196.161   53.524 52.43948 72.29669 
1 1 1    2    4   54 o  445.838   39.198   5.2763   0.8410   6.2060   1.5217   4.8674   1.0091  468.002   63.242  423.673   46.329 44.32874 78.39573 
1 1 1    2    4   56 o  325.366   38.975   3.1087   0.6037   5.1425   0.8888   1.3670   0.8225  436.725   39.586  214.008   67.151 222.7162 77.95054 
1 1 1    2    4   58 o  169.990   31.927   0.8189   0.3331   0.1483   0.4896   1.3968   0.4545  116.940   48.829  223.040   41.148 -106.0998 63.85501 
1 1 1    2    5    1 o  575.274   31.616   8.5387   0.9344   8.3044   1.3335   8.7647   1.3098  567.476   45.707  583.072   43.693 -15.59650 63.23144 
1 1 1    2    5    3 o  1219.59   27.865   38.384   1.7443   40.562   2.4525   36.154   2.4814  1254.76   38.017  1184.42   40.749 70.34290 55.72924 
1 1 1    2    5    5 o  1281.31   26.740   42.343   1.7595   44.252   2.4729   40.385   2.5040  1310.68   36.698  1251.93   38.903 58.74646 53.48083 
1 1 1    2    5    7 o  2275.56   26.642  133.411   3.1169  133.093   4.4112  133.727   4.4046  2272.84   37.750  2278.28   37.603 -5.434570 53.28331 
1 1 1    2    5    9 o  2656.78   33.086  182.617   4.2512  180.527   7.3720  183.659   5.2035  2643.75   54.237  2669.82   37.909 -26.07129 66.17213 
1 1 1    2    5   11 o  2639.37   38.362  179.988   5.2048  182.208   7.3244  177.724   7.3974  2655.96   53.639  2622.78   54.859 33.17358 76.72478 
1 1 1    2    5   13 o  1188.89   27.227   36.437   1.6638   35.448   2.3507   37.429   2.3553  1172.69   38.989  1205.09   38.015 -32.40222 54.45454 
1 1 1    2    5   15 o  1280.59   27.399   42.289   1.8038   41.908   2.5512   42.670   2.5508  1274.81   38.926  1286.38   38.569 -11.57349 54.79747 
1 1 1    2    5   17 o  1173.77   27.531   35.562   1.6614   35.293   2.3522   35.830   2.3469  1169.31   39.126  1178.23   38.744 -8.917114 55.06276 
1 1 1    2    5   19 o  656.952   27.670   11.156   0.9346   11.267   1.3241   11.045   1.3193  660.227   39.007  653.678   39.255 6.549011 55.34018 
1 1 1    2    5   21 o  374.924   39.647   3.6581   0.7629   3.4196   1.0816   3.8942   1.0761  362.601   58.021  387.247   54.048 -24.64539 79.29480 
1 1 1    2    5   23 o  2090.32   55.874  113.212   6.0048  113.212   6.0048   0.0000   0.0000  2090.32   55.874  ?   ?       ?      ? 
1 1 1    2    5   25 o  1221.86   35.012   39.443   2.0537   41.186   2.5233   36.023   3.5345  1263.90   38.832  1179.83   58.270 84.06653 70.02348 
1 1 1    2    5   27 o  1478.07   34.486   56.526   2.4735   56.770   3.0368   56.045   4.2633  1483.90   39.806  1472.23   56.325 11.66504 68.97107 
1 1 1    2    5   29 o  399.437   34.221   4.0100   0.6700   3.7752   0.8201   4.4811   1.1617  382.566   41.697  416.308   54.275 -33.74243 68.44243 
1 1 1    2    5   31 o  1239.18   34.141   38.902   2.0685   37.269   2.5330   42.170   3.5838  1201.82   40.995  1276.55   54.605 -74.73267 68.28126 
1 1 1    2    5   33 o  676.729   57.156   11.872   1.9886   11.872   1.9886   0.0000   0.0000  676.729   57.156  ?   ?       ?      ? 
1 1 1    2    5   35 o  1354.27   34.690   46.805   2.2884   45.383   2.7979   49.680   3.9773  1325.18   41.066  1383.36   55.922 -58.18518 69.38093 
1 1 1    2    5   37 o  1247.06   36.431   41.834   2.1640   44.562   2.6592   36.485   3.7235  1312.25   39.415  1181.86   61.280 130.3885 72.86103 
1 1 1    2    5   39 o  1403.74   35.387   51.211   2.4104   50.857   2.9526   51.917   4.1737  1399.78   41.027  1407.70   57.669 -7.918091 70.77435 
1 1 1    2    5   41 f  725.204   37.284   14.274   1.2877   15.216   1.5836   12.434   2.2121  764.814   40.275  685.594   62.757 79.22003 74.56855 
1 1 1    2    5   43 f  234.831   63.941   1.5206   0.7928   1.5206   0.7928   0.0000   0.0000  234.831   63.941  ?   ?       ?      ? 
1 1 1    2    5   45 o  896.393   29.721   21.093   1.3690   20.269   1.9336   21.920   1.9384  878.500   42.812  914.286   41.237 -35.78699 59.44205 
1 1 1    2    5   47 o  1307.64   29.743   45.093   1.9988   46.647   2.8346   43.556   2.8191  1330.54   41.437  1284.75   42.680 45.79126 59.48592 
1 1 1    2    5   49 o  782.321   30.373   16.235   1.2214   16.089   1.7392   16.377   1.7157  778.577   43.448  786.064   42.453 -7.487244 60.74546 
1 1 1    2    5   51 o  530.230   31.037   7.5443   0.8380   6.3955   1.1861   8.6891   1.1841  488.145   47.261  572.315   40.243 -84.17001 62.07326 
1 1 1    2    5   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5   55 o  327.869   32.780   2.9369   0.5504   3.2363   0.7813   2.6420   0.7755  345.420   43.996  310.318   48.606 35.10220 65.56096 
1 1 1    2    5   57 o  230.264   35.211   1.5216   0.4178   2.0632   0.5981   1.0053   0.5839  274.850   42.323  185.678   56.285 89.17242 70.42228 
1 1 1    2    5   59 o  202.642   36.036   1.2208   0.3847   1.5808   0.5450   0.8634   0.5431  233.767   46.980  171.516   54.655 62.25101 72.07196 
1 1 1    2    6    0 o  1407.06   33.413   51.166   2.4102   51.991   3.3874   50.320   3.4302  1418.69   46.556  1395.42   47.941 -0.000000 0.000000 
1 1 1    2    6    2 o  843.442   30.169   18.333   1.3080   18.670   1.8697   18.010   1.8306  851.020   42.733  835.863   42.597 15.15741 60.33746 
1 1 1    2    6    4 o  351.733   27.524   3.1877   0.4969   2.9447   0.6960   3.4404   0.7096  338.034   40.045  365.431   37.772 -27.39728 55.04826 
1 1 1    2    6    6 o  1804.18   26.656   83.847   2.4721   81.699   3.4720   86.055   3.5207  1780.72   37.924  1827.63   37.469 -46.90576 53.31156 
1 1 1    2    6    8 o  2123.47   32.708  115.798   3.3630  117.845   5.8604  114.793   4.1065  2136.19   53.360  2110.75   37.841 25.44336 65.41592 
1 1 1    2    6   10 o  999.093   53.745   25.783   2.7607   25.783   2.7607   0.0000   0.0000  999.093   53.745  ?   ?       ?      ? 
1 1 1    2    6   12 o  2724.91   27.121  191.466   3.7957  181.262   5.3581  201.746   5.3779  2651.81   39.300  2798.00   37.385 -146.1873 54.24175 
1 1 1    2    6   14 o  183.141   29.526   0.9000   0.2733   0.7252   0.3827   1.0820   0.3905  164.844   44.235  201.439   39.120 -36.59528 59.05187 
1 1 1    2    6   16 o  1735.86   27.407   77.749   2.4457   76.628   3.4584   78.871   3.4591  1723.30   39.035  1748.42   38.481 -25.12610 54.81322 
1 1 1    2    6   18 o  697.014   27.879   12.595   0.9926   14.337   1.4111   10.888   1.3965  745.122   36.834  648.906   41.860 96.21564 55.75844 
1 1 1    2    6   20 o  960.957   27.714   23.872   1.3692   23.603   1.9356   24.142   1.9370  955.496   39.402  966.418   38.985 -10.92206 55.42820 
1 1 1    2    6   22 o  2249.02   55.734  131.198   6.4445  131.198   6.4445   0.0000   0.0000  2249.02   55.734  ?   ?       ?      ? 
1 1 1    2    6   24 o  1256.24   27.939   40.702   1.8045   40.783   2.5503   40.620   2.5536  1257.51   39.446  1254.98   39.577 2.530029 55.87806 
1 1 1    2    6   26 o  1031.02   34.742   27.853   1.7273   28.665   2.1219   26.257   2.9740  1054.48   39.140  1007.55   57.412 46.92719 69.48449 
1 1 1    2    6   28 o  598.475   35.286   9.3871   1.0186   9.6619   1.2515   8.8481   1.7529  612.153   39.766  584.798   58.301 27.35443 70.57112 
1 1 1    2    6   30 o  824.433   34.810   17.640   1.3924   17.800   1.7113   17.326   2.3948  830.716   40.070  818.150   56.933 12.56628 69.62030 
1 1 1    2    6   32 o  1008.62   40.603   26.444   2.0892   30.573   2.9819   22.462   2.9280  1086.75   53.369  930.488   61.206 156.2593 81.20651 
1 1 1    2    6   34 o  798.150   40.596   16.547   1.6636   15.519   2.3459   17.587   2.3597  772.975   59.030  823.325   55.746 -50.35010 81.19185 
1 1 1    2    6   36 o  1133.12   40.942   33.526   2.3728   29.618   3.3526   37.449   3.3589  1065.92   61.177  1200.32   54.428 -134.3977 81.88424 
1 1 1    2    6   38 o  853.628   34.663   18.479   1.4505   17.439   1.7770   20.556   2.5108  819.913   42.154  887.343   55.038 -67.42944 69.32604 
1 1 1    2    6   40 o  207.811   36.372   1.2648   0.4166   1.6971   0.5184   0.4757   0.7003  255.620   39.443  160.001   61.123 95.61890 72.74417 
1 1 1    2    6   42 o  690.580   37.151   12.997   1.2228   13.907   1.5071   11.242   2.0918  730.563   40.124  650.597   62.537 79.96570 74.30213 
1 1 1    2    6   44 o  841.974   43.115   19.065   1.8407   22.780   2.6210   15.450   2.5856  926.419   55.029  757.530   66.388 168.8896 86.22948 
1 1 1    2    6   46 o  357.758   32.001   3.3936   0.5805   4.1026   0.8332   2.7246   0.8093  395.078   41.021  320.437   49.127 74.64108 64.00140 
1 1 1    2    6   48 o  324.139   33.822   2.8624   0.5402   2.2904   0.7650   3.4312   0.7629  287.817   53.676  360.460   41.167 -72.64264 67.64482 
1 1 1    2    6   50 o  759.497   30.329   15.332   1.1841   15.635   1.6854   15.038   1.6640  766.972   42.743  752.022   43.039 14.94952 60.65743 
1 1 1    2    6   52 o  283.323   44.429   2.2920   0.6671   1.2376   0.9230   3.4456   0.9654  211.097   71.460  355.550   52.813 -144.4536 88.85818 
1 1 1    2    6   54 o  198.162   40.564   1.1831   0.4547   0.6542   0.7736   1.4622   0.5620  168.863   64.304  227.462   49.465 -58.59882 81.12816 
1 1 1    2    6   56 o  349.982   33.061   3.3762   0.5904   2.9043   0.8294   3.8609   0.8405  323.558   49.859  376.405   43.431 -52.84729 66.12225 
1 1 1    2    6   58 o  426.616   32.423   5.0727   0.7094   4.7261   1.0081   5.4126   0.9985  410.800   47.731  442.433   43.895 -31.63312 64.84626 
1 1 1    2    7    1 o  1453.01   29.756   54.353   2.1852   54.051   2.8373   54.793   3.4259  1448.42   38.102  1457.61   45.716 -9.189087 59.51210 
1 1 1    2    7    3 o  1179.67   29.267   35.865   1.7744   37.229   2.5244   34.534   2.4945  1201.87   40.854  1157.46   41.918 44.40527 58.53384 
1 1 1    2    7    5 o  1188.32   27.202   36.371   1.6614   35.116   2.3263   37.677   2.3735  1167.40   38.759  1209.25   38.178 -41.84827 54.40419 
1 1 1    2    7    7 o  984.674   33.031   25.271   1.5731   24.235   2.7057   25.801   1.9335  968.650   54.330  1000.70   37.581 -32.04810 66.06110 
1 1 1    2    7    9 o  2076.88   37.817  111.145   4.0380  111.145   4.0380   0.0000   0.0000  2076.88   37.817  ?   ?       ?      ? 
1 1 1    2    7   11 o  2178.82   26.959  122.367   3.0185  126.827   4.2766  117.940   4.2612  2218.48   37.495  2139.16   38.745 79.31616 53.91717 
1 1 1    2    7   13 o  1971.33   27.137  100.195   2.7498   97.670   3.8867  102.725   3.8908  1946.40   38.840  1996.27   37.910 -49.87219 54.27417 
1 1 1    2    7   15 o  2390.38   27.264  147.387   3.3506  147.399   4.7317  147.374   4.7452  2390.49   38.500  2390.27   38.614 0.2231445 54.52763 
1 1 1    2    7   17 o  2091.71   27.454  113.017   2.9513  109.189   4.1655  116.877   4.1821  2055.99   39.407  2127.44   38.236 -71.45386 54.90812 
1 1 1    2    7   19 o  709.025   27.726   12.999   1.0103   13.448   1.4313   12.553   1.4263  721.288   38.597  696.762   39.815 24.52606 55.45266 
1 1 1    2    7   21 o  912.764   55.686   21.628   2.6132   21.628   2.6132   0.0000   0.0000  912.764   55.686  ?   ?       ?      ? 
1 1 1    2    7   23 o  603.599   28.018   9.3992   0.8694   9.2540   1.2263   9.5460   1.2328  598.900   39.827  608.298   39.419 -9.398193 56.03606 
1 1 1    2    7   25 o  677.711   28.109   11.845   0.9790   11.458   1.3835   12.233   1.3856  666.594   40.368  688.827   39.126 -22.23260 56.21762 
1 1 1    2    7   27 o  990.040   28.192   25.277   1.4345   24.517   2.0289   26.037   2.0285  975.106   40.471  1004.97   39.260 -29.86731 56.38458 
1 1 1    2    7   29 o  165.877   35.874   0.7029   0.3177   0.7062   0.3812   0.6955   0.5750  162.818   44.340  168.935   56.407 -6.116943 71.74806 
1 1 1    2    7   31 o  367.066   35.151   3.4165   0.6333   3.2684   0.7787   3.7057   1.0883  355.826   42.563  378.305   55.953 -22.47849 70.30182 
1 1 1    2    7   33 o  1625.85   57.498   68.562   4.8062   68.562   4.8062   0.0000   0.0000  1625.85   57.498  ?   ?       ?      ? 
1 1 1    2    7   35 o  549.980   33.996   7.3532   0.9218   6.2542   1.1252   9.5953   1.6073  491.645   44.517  608.316   51.391 -116.6706 67.99118 
1 1 1    2    7   37 o  700.405   41.237   12.858   1.4737   14.724   2.0916   11.018   2.0768  751.826   54.111  648.985   62.242 102.8408 82.47447 
1 1 1    2    7   39 f  494.314   41.977   6.4192   1.0636   7.0535   1.5166   5.8053   1.4920  518.786   56.861  469.841   61.767 48.94556 83.95447 
1 1 1    2    7   41 o  274.783   37.820   1.9371   0.4936   1.6894   0.6027   2.4412   0.8598  250.002   48.645  299.564   57.923 -49.56152 75.64037 
1 1 1    2    7   43 o  627.674   59.515   10.478   1.9206   10.478   1.9206   0.0000   0.0000  627.674   59.515  ?   ?       ?      ? 
1 1 1    2    7   45 o  561.367   37.954   8.6104   1.0058   9.0083   1.2221   7.7755   1.7703  586.105   40.558  536.630   64.165 49.47461 75.90837 
1 1 1    2    7   47 o  213.172   36.789   1.4023   0.4508   1.9812   0.5551   0.2802   0.7728  274.451   39.339  151.894   62.179 122.5565 73.57869 
1 1 1    2    7   49 o  642.078   30.241   10.943   0.9978   11.162   1.3996   10.716   1.4228  649.007   41.946  635.148   43.572 13.85883 60.48159 
1 1 1    2    7   51 o  479.370   31.519   6.1575   0.7719   5.3500   1.0840   6.9883   1.0995  446.269   47.246  512.470   41.732 -66.20059 63.03713 
1 1 1    2    7   53 o  604.222   62.455   10.264   1.9401   10.264   1.9401   0.0000   0.0000  604.222   62.455  ?   ?       ?      ? 
1 1 1    2    7   55 o  550.452   31.731   8.2475   0.8970   8.2542   1.2414   8.2402   1.2977  551.417   43.788  549.486   45.935 1.931213 63.46222 
1 1 1    2    7   57 o  416.656   39.036   4.7743   0.7935   5.5301   1.3908   4.4095   0.9662  434.687   62.231  398.625   47.144 36.06226 78.07177 
1 1 1    2    7   59 o  125.471   32.391   0.3936   0.2807   0.0000   0.5359   0.5424   0.3296  112.207   49.032  138.735   42.339 -26.52871 64.78217 
1 1 1    2    8    0 o  799.505   34.064   16.674   1.3846   15.412   1.9664   17.916   1.9500  768.664   50.251  830.346   46.002 0.000000 0.000000 
1 1 1    2    8    2 o  1135.96   31.575   33.284   1.8435   32.867   2.6289   33.687   2.5859  1128.91   45.295  1143.01   44.004 -14.10693 63.15009 
1 1 1    2    8    4 o  1313.06   28.702   44.449   1.9370   43.402   2.7474   45.485   2.7314  1297.62   41.181  1328.50   39.990 -30.88562 57.40316 
1 1 1    2    8    6 o  2078.10   32.933  111.825   3.3475  110.020   5.6655  112.793   4.1492  2064.03   53.389  2092.18   38.574 -28.14722 65.86658 
1 1 1    2    8    8 o  825.759   37.623   17.570   1.5973   17.570   1.5973   0.0000   0.0000  825.759   37.623  ?   ?       ?      ? 
1 1 1    2    8   10 o  570.282   33.133   8.4896   0.9114   8.1050   1.5740   8.6836   1.1179  560.061   54.664  580.502   37.458 -20.44098 66.26596 
1 1 1    2    8   12 o  1745.18   27.011   78.516   2.4233   77.229   3.4299   79.799   3.4242  1730.85   38.543  1759.51   37.853 -28.65491 54.02253 
1 1 1    2    8   14 o  1848.32   27.199   88.123   2.5837   91.004   3.6582   85.256   3.6497  1878.55   37.877  1818.08   39.045 60.47131 54.39853 
1 1 1    2    8   16 o  1252.69   27.470   40.583   1.7631   36.543   2.4835   44.687   2.5033  1189.49   40.611  1315.89   37.002 -126.4033 54.93969 
1 1 1    2    8   18 o  1036.19   27.517   27.755   1.4658   28.120   2.0713   27.389   2.0747  1043.05   38.624  1029.32   39.205 13.73230 55.03473 
1 1 1    2    8   20 o  984.691   34.719   25.738   1.6391   23.387   2.8222   26.934   2.0135  948.366   57.882  1021.02   38.357 -72.64978 69.43794 
1 1 1    2    8   22 o  938.130   34.006   22.646   1.5475   23.088   2.6875   22.427   1.8928  944.050   55.372  932.211   39.493 11.83960 68.01274 
1 1 1    2    8   24 o  2136.89   27.889  117.757   3.0634  120.483   4.3357  115.039   4.3289  2161.67   39.012  2112.12   39.865 49.54712 55.77770 
1 1 1    2    8   26 o  1043.43   28.046   28.073   1.5039   27.085   2.1223   29.070   2.1314  1024.94   40.276  1061.92   39.040 -36.98120 56.09201 
1 1 1    2    8   28 o  1877.01   28.142   90.848   2.7157   90.362   3.8385   91.334   3.8428  1871.97   39.883  1882.04   39.715 -10.06909 56.28439 
1 1 1    2    8   30 o  282.721   29.319   2.0657   0.4253   1.9248   0.6033   2.2050   0.5997  273.078   42.972  292.365   39.897 -19.28754 58.63731 
1 1 1    2    8   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    8   34 o  426.999   34.701   4.6082   0.7279   4.3565   0.8942   5.1025   1.2533  410.535   42.366  443.463   54.970 -32.92783 69.40161 
1 1 1    2    8   36 o  862.649   37.045   20.239   1.5159   22.021   1.8701   16.825   2.5886  922.655   39.423  802.643   62.730 120.0125 74.08955 
1 1 1    2    8   38 o  410.086   39.541   4.6634   0.7441   5.0778   0.9173   3.8659   1.2724  442.484   40.321  377.688   68.030 64.79623 79.08103 
1 1 1    2    8   40 o  373.791   45.199   3.7866   0.8277   2.6569   1.1449   5.0234   1.1980  309.839   73.063  437.743   53.233 -127.9043 90.39841 
1 1 1    2    8   42 o  963.298   34.846   23.468   1.6460   21.555   2.0092   27.371   2.8703  908.253   43.028  1018.34   54.822 -110.0904 69.69139 
1 1 1    2    8   44 o  428.384   46.985   5.0894   0.9704   3.4532   1.3497   6.8403   1.3962  348.992   77.266  507.776   53.484 -158.7837 93.97094 
1 1 1    2    8   46 o  774.116   36.831   16.079   1.3760   16.278   1.6873   15.684   2.3776  786.323   41.737  761.909   60.696 24.41431 73.66140 
1 1 1    2    8   48 o  518.240   37.982   7.3396   0.9495   7.5707   1.1708   6.8958   1.6227  534.718   42.589  501.763   62.902 32.95465 75.96350 
1 1 1    2    8   50 o  466.064   31.685   5.8128   0.7461   7.2157   1.0782   4.5237   1.0335  521.874   40.184  410.254   49.001 111.6198 63.37067 
1 1 1    2    8   52 o  459.328   63.562   5.9106   1.5010   5.9106   1.5010   0.0000   0.0000  459.328   63.562  ?   ?       ?      ? 
1 1 1    2    8   54 o  413.237   38.593   4.4231   0.7826   5.8801   1.3822   3.7356   0.9494  457.493   58.763  368.981   50.047 88.51178 77.18685 
1 1 1    2    8   56 o  304.214   44.016   2.6573   0.6338   3.0517   1.1069   2.4649   0.7731  315.541   70.056  292.886   53.308 22.65540 88.03145 
1 1 1    2    8   58 o  328.804   35.656   3.0877   0.5723   2.2721   0.7834   4.0212   0.8382  275.946   57.104  381.661   42.714 -105.7154 71.31185 
1 1 1    2    9    1 o  2649.39   27.133  180.956   3.6938  175.146   5.2448  186.673   5.2031  2607.05   39.130  2691.72   37.598 -84.67334 54.26580 
1 1 1    2    9    3 o  1246.93   37.323   39.870   2.2515   40.970   3.9390   39.337   2.7439  1258.69   60.869  1235.17   43.209 23.52380 74.64619 
1 1 1    2    9    5 o  1880.59   34.109   91.206   3.1308   91.425   5.3477   91.092   3.8618  1881.19   55.293  1879.99   39.955 1.196167 68.21783 
1 1 1    2    9    7 o  1297.62   37.859   43.388   2.5257   43.388   2.5257   0.0000   0.0000  1297.62   37.859  ?   ?       ?      ? 
1 1 1    2    9    9 o  2097.62   33.011  114.508   3.3521  110.603   5.7662  116.501   4.1198  2069.00   54.208  2126.24   37.687 -57.23486 66.02117 
1 1 1    2    9   11 o  152.314   27.830   0.6190   0.2209   0.5177   0.3095   0.7241   0.3154  140.290   40.597  164.337   38.077 -24.04684 55.65993 
1 1 1    2    9   13 o  1403.76   27.031   50.815   1.9507   51.569   2.7638   50.067   2.7538  1414.15   38.014  1393.36   38.441 20.78882 54.06258 
1 1 1    2    9   15 o  744.364   27.312   14.305   1.0448   13.871   1.4786   14.738   1.4767  733.031   39.233  755.697   38.008 -22.66626 54.62466 
1 1 1    2    9   17 o  2065.04   27.420  110.252   2.9093  114.915   4.1165  105.598   4.1122  2108.92   37.966  2021.18   39.574 87.73950 54.84057 
1 1 1    2    9   19 o  942.442   34.219   23.304   1.5549   22.197   2.6842   23.863   1.9076  923.968   56.505  960.916   38.613 -36.94873 68.43859 
1 1 1    2    9   21 o  1273.86   55.543   42.075   3.6376   42.075   3.6376   0.0000   0.0000  1273.86   55.543  ?   ?       ?      ? 
1 1 1    2    9   23 o  2175.83   27.817  122.151   3.1090  128.282   4.4024  116.052   4.3912  2230.48   38.391  2121.17   40.266 109.3096 55.63456 
1 1 1    2    9   25 o  983.890   28.149   24.995   1.4191   22.508   1.9966   27.535   2.0175  934.215   41.570  1033.57   37.966 -99.35065 56.29848 
1 1 1    2    9   27 o  664.352   28.490   11.404   0.9695   10.236   1.3672   12.586   1.3749  629.947   42.213  698.758   38.272 -68.81073 56.98005 
1 1 1    2    9   29 o  1177.92   28.288   35.816   1.7105   38.239   2.4257   33.419   2.4125  1217.71   38.745  1138.14   41.228 79.57263 56.57700 
1 1 1    2    9   31 o  1310.33   40.087   44.504   2.6986   42.580   3.8175   46.427   3.8152  1281.77   57.930  1338.89   55.425 -57.11414 80.17349 
1 1 1    2    9   33 o  1454.97   35.132   54.993   2.4707   54.267   4.2852   55.355   3.0240  1445.95   57.644  1464.00   40.176 -18.04297 70.26304 
1 1 1    2    9   35 o  405.426   39.797   4.6068   0.7321   5.1312   0.9028   3.5996   1.2512  445.534   39.414  365.318   69.151 80.21591 79.59459 
1 1 1    2    9   37 o  963.356   40.900   24.250   2.0254   24.845   2.8746   23.663   2.8542  975.232   57.333  951.479   58.346 23.75372 81.80048 
1 1 1    2    9   39 o  842.782   35.729   18.633   1.4608   18.794   1.7963   18.319   2.5103  850.470   41.082  835.095   58.468 15.37439 71.45760 
1 1 1    2    9   41 o  441.909   46.264   5.3571   0.9755   7.4302   1.4097   3.4524   1.3512  531.917   51.548  351.900   76.839 180.0169 92.52866 
1 1 1    2    9   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    9   45 o  518.705   37.689   7.3058   0.9350   7.5787   1.1453   6.7604   1.6190  537.098   41.477  500.312   62.941 36.78683 75.37855 
1 1 1    2    9   47 o  433.585   36.873   4.9428   0.7874   4.7188   0.9732   5.3674   1.3399  421.908   44.865  445.263   58.529 -23.35583 73.74665 
1 1 1    2    9   49 o  320.833   47.608   2.9617   0.7601   2.6637   1.0922   3.2415   1.0584  302.940   71.310  338.727   63.095 -35.78745 95.21592 
1 1 1    2    9   51 o  305.813   46.171   2.7199   0.7499   1.2328   1.0451   4.2979   1.0766  214.019   75.853  397.606   52.664 -183.5877 92.34290 
1 1 1    2    9   53 o  702.533   45.723   13.986   1.6374   16.345   2.3665   11.819   2.2678  763.667   60.275  641.400   68.771 122.2667 91.44659 
1 1 1    2    9   55 o  156.412   34.738   0.6579   0.3127   0.8458   0.4716   0.5105   0.4178  172.631   50.155  140.193   48.077 32.43835 69.47591 
1 1 1    2    9   57 o  211.817   36.331   1.3083   0.3916   1.3865   0.5642   1.2356   0.5440  218.059   51.200  205.575   51.558 12.48401 72.66125 
1 1 1    2    9   59 o  188.067   36.614   1.0547   0.3699   1.2653   0.5268   0.8500   0.5194  206.513   50.126  169.621   53.383 36.89270 73.22748 
1 1 1    2   10    0 o  2268.55   40.790  131.413   4.4932  128.413   5.4930  137.477   7.8111  2231.42   47.931  2305.68   66.016 -0.000000 0.000000 
1 1 1    2   10    2 o  2438.42   39.580  152.840   4.6756  155.985   8.1438  151.294   5.7106  2455.00   64.521  2421.85   45.863 33.14795 79.16069 
1 1 1    2   10    4 o  2237.45   40.975  129.361   4.7025  129.997   6.8977  128.810   6.4279  2242.17   59.836  2232.73   55.997 9.446533 81.95097 
1 1 1    2   10    6 f  2194.15   39.434  124.081   4.4484  124.081   4.4484   0.0000   0.0000  2194.15   39.434  ?   ?       ?      ? 
1 1 1    2   10    8 o  3259.61   33.109  274.480   5.2635  273.212   8.9888  275.142   6.4931  3251.89   53.764  3267.32   38.654 -15.43311 66.21716 
1 1 1    2   10   10 o  2016.41   26.831  104.807   2.7814  105.261   3.9179  104.345   3.9493  2020.85   37.709  2011.96   38.179 8.882080 53.66233 
1 1 1    2   10   12 o  1756.89   26.915   79.603   2.4307   81.353   3.4358   77.850   3.4392  1776.28   37.622  1737.49   38.500 38.78064 53.83009 
1 1 1    2   10   14 o  1798.23   27.104   83.446   2.5057   82.837   3.5449   84.055   3.5424  1791.64   38.485  1804.82   38.176 -13.17993 54.20777 
1 1 1    2   10   16 o  702.691   27.473   12.781   0.9890   14.093   1.4046   11.491   1.3928  738.679   36.986  666.703   40.635 71.97540 54.94699 
1 1 1    2   10   18 o  872.767   27.491   19.693   1.2332   19.165   1.7434   20.222   1.7446  860.994   39.386  884.540   38.364 -23.54608 54.98191 
1 1 1    2   10   20 o  702.345   55.524   12.798   2.0049   12.798   2.0049   0.0000   0.0000  702.345   55.524  ?   ?       ?      ? 
1 1 1    2   10   22 o  1328.24   27.749   45.512   1.8943   44.121   2.6748   46.912   2.6832  1307.81   39.780  1348.67   38.697 -40.85730 55.49720 
1 1 1    2   10   24 o  1100.52   27.892   31.229   1.5777   32.145   2.2348   30.319   2.2276  1116.65   38.927  1084.38   39.957 32.27246 55.78363 
1 1 1    2   10   26 o  1074.56   28.057   29.769   1.5499   29.294   2.1871   30.249   2.1967  1065.91   39.910  1083.20   39.445 -17.28699 56.11333 
1 1 1    2   10   28 o  511.706   28.489   6.7591   0.7481   6.2703   1.0547   7.2541   1.0614  493.013   41.610  530.398   38.924 -37.38461 56.97741 
1 1 1    2   10   30 o  641.333   28.646   10.613   0.9445   10.770   1.3406   10.458   1.3309  646.062   40.360  636.604   40.664 9.457947 57.29296 
1 1 1    2   10   32 o  2072.94   56.946  111.426   6.0691  111.426   6.0691   0.0000   0.0000  2072.94   56.946  ?   ?       ?      ? 
1 1 1    2   10   34 o  961.525   28.706   23.892   1.4190   23.517   2.0016   24.272   2.0119  953.896   40.814  969.154   40.377 -15.25885 57.41202 
1 1 1    2   10   36 o  1092.72   35.405   31.148   1.8701   31.373   2.2897   30.698   3.2408  1100.75   40.460  1084.69   58.113 16.05981 70.81057 
1 1 1    2   10   38 o  795.633   35.314   16.328   1.3641   15.963   1.6656   17.070   2.3770  784.108   41.318  807.157   57.280 -23.04913 70.62708 
1 1 1    2   10   40 o  705.185   36.131   13.094   1.2360   13.227   1.5207   12.837   2.1218  712.750   41.498  697.620   59.159 15.13007 72.26256 
1 1 1    2   10   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   10   44 o  944.396   42.483   23.949   2.0547   21.553   2.8997   26.366   2.9118  894.917   63.024  993.875   56.986 -98.95862 84.96684 
1 1 1    2   10   46 o  634.118   44.809   11.073   1.4173   14.185   2.0225   8.0700   1.9866  727.586   54.068  540.651   71.471 186.9354 89.61883 
1 1 1    2   10   48 o  379.050   46.812   4.0639   0.8774   4.9342   1.2409   3.1940   1.2407  426.594   56.577  331.506   74.596 95.08765 93.62440 
1 1 1    2   10   50 o  197.933   42.814   1.0714   0.5015   0.6049   0.7193   1.5129   0.6997  165.245   62.224  230.621   58.824 -65.37578 85.62705 
1 1 1    2   10   52 o  518.000   62.593   7.5208   1.6670   7.5208   1.6670   0.0000   0.0000  518.000   62.593  ?   ?       ?      ? 
1 1 1    2   10   54 o  180.535   36.026   0.9273   0.3538   0.7391   0.5079   1.1046   0.4931  163.950   52.921  197.120   48.896 -33.17033 72.05138 
1 1 1    2   10   56 o  402.412   33.732   4.4969   0.6932   5.0841   0.9841   3.9186   0.9765  430.459   44.465  374.364   50.737 56.09567 67.46371 
1 1 1    2   10   58 o  409.436   33.846   4.7251   0.7124   4.6751   1.0001   4.7767   1.0150  407.314   47.760  411.558   47.971 -4.243744 67.69259 
1 1 1    2   11    1 o  1368.27   41.273   49.454   2.7409   51.856   3.4079   45.053   4.6126  1417.73   46.754  1318.81   68.030 98.92822 82.54689 
1 1 1    2   11    3 o  1015.28   37.850   26.867   1.8943   27.512   2.3798   25.752   3.1295  1032.79   44.819  997.780   61.005 35.00757 75.69936 
1 1 1    2   11    5 o  1181.17   39.349   37.231   2.1615   38.995   2.5938   33.221   3.9102  1229.88   41.021  1132.45   67.160 97.43164 78.69704 
1 1 1    2   11    7 o  2056.51   34.101  109.238   3.4069  108.950   5.8680  109.384   4.1843  2053.07   55.593  2059.94   39.509 -6.868652 68.20238 
1 1 1    2   11    9 o  303.768   27.412   2.3804   0.4265   2.1203   0.5967   2.6522   0.6099  286.750   40.475  320.785   36.979 -34.03491 54.82368 
1 1 1    2   11   11 o  1292.75   26.958   43.132   1.7898   45.185   2.5232   41.053   2.5393  1323.84   37.072  1261.65   39.148 62.19104 53.91549 
1 1 1    2   11   13 o  633.315   27.044   10.353   0.8801   10.725   1.2442   9.9803   1.2452  644.758   37.533  621.872   38.946 22.88599 54.08746 
1 1 1    2   11   15 o  1720.06   27.170   76.435   2.4026   75.625   3.3982   77.244   3.3973  1710.91   38.632  1729.21   38.214 -18.30603 54.33901 
1 1 1    2   11   17 o  1115.20   27.347   32.147   1.5679   32.409   2.2204   31.887   2.2144  1119.75   38.570  1110.66   38.780 9.088745 54.69450 
1 1 1    2   11   19 o  1815.91   55.171   85.578   5.1508   85.578   5.1508   0.0000   0.0000  1815.91   55.171  ?   ?       ?      ? 
1 1 1    2   11   21 f  1211.26   33.595   37.502   1.9802   39.180   3.4369   36.668   2.4226  1230.35   54.334  1192.17   39.526 38.17517 67.19001 
1 1 1    2   11   23 o  782.775   27.889   15.804   1.1212   14.906   1.5792   16.717   1.5922  760.287   40.401  805.264   38.458 -44.97742 55.77887 
1 1 1    2   11   25 o  303.530   29.150   2.3866   0.4516   2.0536   0.6378   2.7212   0.6395  282.142   43.971  324.919   38.280 -42.77753 58.29980 
1 1 1    2   11   27 o  925.631   28.160   22.099   1.3397   22.750   1.8943   21.448   1.8949  939.315   39.225  911.948   40.415 27.36658 56.32043 
1 1 1    2   11   29 o  347.915   29.035   3.1227   0.5191   2.9950   0.7288   3.2542   0.7396  340.680   41.610  355.150   40.505 -14.47000 58.06902 
1 1 1    2   11   31 o  266.159   62.163   1.9121   0.8352   1.9121   0.8352   0.0000   0.0000  266.159   62.163  ?   ?       ?      ? 
1 1 1    2   11   33 o  578.328   28.666   8.6415   0.8523   8.7351   1.2062   8.5481   1.2045  581.471   40.348  575.185   40.731 6.285889 57.33232 
1 1 1    2   11   35 f  227.146   33.263   1.3929   0.3755   1.2453   0.5390   1.5321   0.5234  214.801   49.778  239.491   44.134 -24.68954 66.52537 
1 1 1    2   11   37 o  962.306   28.991   24.026   1.4333   25.113   2.0322   22.951   2.0219  984.130   40.165  940.483   41.817 43.64691 57.98159 
1 1 1    2   11   39 o  180.996   37.120   0.9223   0.3743   1.1349   0.4551   0.4776   0.6582  204.872   44.484  157.120   59.438 47.75209 74.24085 
1 1 1    2   11   41 o  880.468   42.696   20.723   1.8919   25.936   2.7110   15.774   2.6414  992.355   53.136  768.582   66.846 223.7727 85.39209 
1 1 1    2   11   43 o  409.263   35.769   3.9563   0.7116   2.8888   0.8591   6.2899   1.2701  330.650   50.534  487.877   50.636 -157.2269 71.53764 
1 1 1    2   11   45 o  251.597   44.357   1.7749   0.5724   1.6399   0.7990   1.9172   0.8204  241.695   63.484  261.498   61.968 -19.80276 88.71413 
1 1 1    2   11   47 o  170.643   39.512   0.7140   0.4272   1.1417   0.6041   0.2858   0.6043  202.427   56.101  138.859   55.655 63.56805 79.02413 
1 1 1    2   11   49 o  475.829   44.078   6.2289   1.0756   5.6548   1.4910   6.8519   1.5531  452.059   64.152  499.599   60.466 -47.53958 88.15667 
1 1 1    2   11   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   11   53 o  469.248   45.959   6.2976   1.1042   6.7687   1.5442   5.8045   1.5796  489.810   61.319  448.686   68.476 41.12408 91.91814 
1 1 1    2   11   55 o  347.599   46.113   4.1422   0.7431   5.3370   0.9282   2.0098   1.2400  444.231   40.640  250.968   82.790 193.2624 92.22697 
1 1 1    2   11   57 o  344.134   33.480   3.3076   0.5921   3.2833   0.8234   3.3337   0.8520  343.218   46.662  345.050   48.024 -1.831909 66.96046 
1 1 1    2   12    0 o  2603.04   41.411  175.148   5.2264  175.542   6.4162  174.372   9.0099  2609.31   47.864  2596.77   67.590 0.000000 0.000000 
1 1 1    2   12    2 o  1461.05   30.097   55.028   2.2209   54.953   2.8823   55.138   3.4844  1460.24   38.393  1461.85   46.361 -1.616211 60.19392 
1 1 1    2   12    4 o  206.426   39.240   1.1798   0.4130   1.3064   0.4968   0.8963   0.7432  221.035   45.239  191.818   64.130 29.21771 78.48072 
1 1 1    2   12    6 o  1300.66   35.765   44.025   2.2475   42.702   3.8850   44.690   2.7554  1284.79   58.815  1316.52   40.709 -31.73242 71.52951 
1 1 1    2   12    8 o  2184.67   27.741  123.043   3.1156  121.726   4.3730  124.401   4.4400  2172.81   39.146  2196.53   39.316 -23.72290 55.48153 
1 1 1    2   12   10 o  238.787   28.791   1.5012   0.3438   1.6565   0.4828   1.3414   0.4898  253.471   37.051  224.103   44.079 29.36777 57.58282 
1 1 1    2   12   12 o  1509.63   27.026   58.806   2.0969   56.840   2.9520   60.809   2.9791  1484.08   38.689  1535.18   37.745 -51.09155 54.05130 
1 1 1    2   12   14 o  821.887   27.162   17.456   1.1473   17.988   1.6201   16.920   1.6249  834.525   37.760  809.248   39.056 25.27679 54.32487 
1 1 1    2   12   16 o  1036.51   27.277   27.772   1.4534   27.154   2.0524   28.394   2.0584  1024.88   38.951  1048.14   38.198 -23.26208 54.55483 
1 1 1    2   12   18 o  210.791   35.221   1.1547   0.3588   1.3326   0.6262   1.0678   0.4378  222.251   55.080  199.331   43.911 22.91982 70.44129 
1 1 1    2   12   20 o  1539.14   34.225   62.067   2.5355   58.857   4.3879   63.676   3.1066  1507.25   56.624  1571.03   38.462 -63.77905 68.45094 
1 1 1    2   12   22 o  846.547   34.103   18.673   1.3966   19.012   1.7156   18.008   2.4046  858.701   38.859  834.394   56.055 24.30615 68.20664 
1 1 1    2   12   24 o  2759.58   27.838  196.366   3.9480  189.935   5.5796  202.815   5.5871  2714.20   39.985  2804.97   38.742 -90.77148 55.67525 
1 1 1    2   12   26 o  890.700   28.127   20.465   1.2867   21.652   1.8263   19.295   1.8131  916.425   38.761  864.974   40.770 51.45129 56.25497 
1 1 1    2   12   28 o  1601.18   28.134   66.139   2.3156   64.785   3.2771   67.490   3.2724  1584.75   40.222  1617.61   39.348 -32.86670 56.26768 
1 1 1    2   12   30 o  1186.79   39.913   36.495   2.4349   35.651   3.4410   37.342   3.4458  1172.94   57.061  1200.64   55.823 -27.69983 79.82578 
1 1 1    2   12   32 o  211.807   39.704   1.2359   0.4233   1.0173   0.7604   1.3342   0.5096  200.531   64.753  223.082   45.965 -22.55028 79.40810 
1 1 1    2   12   34 o  3053.50   28.511  241.102   4.4757  238.349   6.3209  243.869   6.3383  3035.95   40.496  3071.06   40.144 -35.11133 57.02175 
1 1 1    2   12   36 o  1040.65   28.974   28.070   1.5502   27.872   2.1908   28.267   2.1937  1036.96   41.094  1044.34   40.856 -7.372925 57.94793 
1 1 1    2   12   38 o  1235.32   29.082   39.653   1.8469   40.142   2.6078   39.161   2.6160  1243.07   40.805  1227.58   41.450 15.48975 58.16454 
1 1 1    2   12   40 o  885.144   37.946   21.696   1.5862   23.900   1.9609   17.524   2.6979  958.141   39.807  812.146   64.614 145.9948 75.89140 
1 1 1    2   12   42 o  291.865   64.939   2.3652   0.9493   2.3652   0.9493   0.0000   0.0000  291.865   64.939  ?   ?       ?      ? 
1 1 1    2   12   44 o  371.167   39.178   3.7884   0.6855   3.9384   0.8519   3.5127   1.1548  386.986   42.816  355.348   65.625 31.63809 78.35698 
1 1 1    2   12   46 o  364.331   36.262   3.2581   0.6429   2.7051   0.7716   4.5131   1.1625  319.060   47.039  409.602   55.201 -90.54245 72.52471 
1 1 1    2   12   48 f  614.672   45.592   10.560   1.4016   7.9114   1.9778   13.232   1.9866  530.582   72.503  698.763   55.299 -168.1804 91.18456 
1 1 1    2   12   50 o  407.578   47.524   4.7358   0.9617   3.9683   1.3567   5.5109   1.3634  367.845   74.294  447.311   59.283 -79.46600 95.04811 
1 1 1    2   12   52 o  118.424   31.983   0.2530   0.2843   0.4423   0.3760   0.0000   0.4346  132.592   45.597  104.257   44.862 28.33464 63.96643 
1 1 1    2   12   54 o  191.342   38.180   0.8878   0.3888   0.5270   0.4715   1.6539   0.6870  144.329   50.971  238.355   56.858 -94.02592 76.36011 
1 1 1    2   12   56 o  155.181   37.782   0.5375   0.3564   0.3011   0.4337   1.0299   0.6258  122.904   47.794  187.458   58.530 -64.55379 75.56474 
1 1 1    2   12   58 o  202.374   36.737   1.2256   0.3865   1.0618   0.5557   1.3790   0.5380  188.173   54.381  216.574   49.407 -28.40056 73.47362 
1 1 1    2   13    1 o  2803.00   33.985  202.817   4.8964  197.217   6.9038  208.485   6.9457  2763.94   48.583  2842.06   47.535 -78.11572 67.96969 
1 1 1    2   13    3 o  806.942   46.831   16.853   1.9416   16.267   2.6884   17.492   2.8072  792.317   65.998  821.567   66.459 -29.24982 93.66181 
1 1 1    2   13    5 o  118.271   29.357   0.3211   0.2188   0.2101   0.3715   0.3801   0.2708  114.207   44.284  122.335   38.552 -8.127617 58.71368 
1 1 1    2   13    7 o  1293.90   28.785   43.213   1.9128   45.471   2.7046   40.952   2.7057  1327.86   39.617  1259.93   41.770 67.93018 57.56947 
1 1 1    2   13    9 o  824.990   27.689   17.553   1.1743   17.253   1.6477   17.863   1.6741  817.825   39.186  832.156   39.130 -14.33130 55.37798 
1 1 1    2   13   11 o  1741.59   27.165   78.282   2.4319   78.328   3.4053   78.235   3.4741  1742.18   38.018  1741.00   38.812 1.181152 54.33043 
1 1 1    2   13   13 o  1105.67   27.105   31.585   1.5406   31.957   2.1710   31.208   2.1866  1112.27   37.965  1099.07   38.697 13.20190 54.21092 
1 1 1    2   13   15 o  1803.88   27.188   84.107   2.5214   83.202   3.5598   85.019   3.5719  1794.11   38.593  1813.66   38.306 -19.55237 54.37600 
1 1 1    2   13   17 o  894.108   32.939   20.325   1.4387   21.887   2.4935   19.545   1.7614  918.486   52.804  869.731   39.392 48.75446 65.87839 
1 1 1    2   13   19 o  1118.97   55.091   32.434   3.1693   32.434   3.1693   0.0000   0.0000  1118.97   55.091  ?   ?       ?      ? 
1 1 1    2   13   21 o  2168.15   27.579  121.215   3.0741  122.078   4.3463  120.352   4.3486  2175.89   38.852  2160.40   39.151 15.48828 55.15722 
1 1 1    2   13   23 o  2663.73   27.727  182.943   3.7961  177.415   5.3594  188.508   5.3777  2623.24   39.738  2704.22   38.680 -80.97729 55.45477 
1 1 1    2   13   25 o  590.022   28.121   8.9762   0.8526   9.3564   1.2117   8.6033   1.1999  602.426   39.123  577.619   40.406 24.80707 56.24292 
1 1 1    2   13   27 o  918.972   28.120   21.781   1.3286   21.864   1.8859   21.699   1.8719  920.710   39.841  917.235   39.694 3.475647 56.23989 
1 1 1    2   13   29 o  1961.33   34.560   99.750   3.2827   98.553   5.6746  100.353   4.0245  1950.57   56.586  1972.10   39.693 -21.53015 69.11926 
1 1 1    2   13   31 o  1399.53   57.247   50.809   4.1191   50.809   4.1191   0.0000   0.0000  1399.53   57.247  ?   ?       ?      ? 
1 1 1    2   13   33 o  339.882   29.665   2.9911   0.5172   3.2284   0.7321   2.7548   0.7307  353.430   40.291  326.335   43.550 27.09546 59.32916 
1 1 1    2   13   35 o  1726.10   28.691   77.184   2.5441   73.359   3.5864   81.058   3.6094  1682.77   41.454  1769.44   39.676 -86.67065 57.38133 
1 1 1    2   13   37 o  1190.45   28.941   36.807   1.7696   34.861   2.4963   38.772   2.5091  1158.53   41.910  1222.36   39.925 -63.83960 57.88288 
1 1 1    2   13   39 o  789.790   29.415   16.257   1.1921   15.056   1.6810   17.472   1.6909  760.065   43.017  819.515   40.131 -59.44971 58.83027 
1 1 1    2   13   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   13   43 o  556.240   36.879   8.1885   0.9877   8.1548   1.2029   8.2584   1.7307  557.510   41.967  554.968   60.656 2.542053 73.75881 
1 1 1    2   13   45 o  586.588   37.319   9.2023   1.0563   9.2129   1.2912   9.1808   1.8364  591.060   42.491  582.115   61.362 8.945313 74.63746 
1 1 1    2   13   47 o  316.036   38.951   2.3974   0.5785   1.8670   0.6811   3.7716   1.0963  259.216   52.897  372.857   57.188 -113.6413 77.90131 
1 1 1    2   13   49 o  160.577   40.668   0.5750   0.4363   0.3004   0.5900   0.9064   0.6482  137.935   55.097  183.219   59.833 -45.28381 81.33633 
1 1 1    2   13   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   13   53 o  408.176   48.829   4.8588   1.0027   4.5506   1.3606   5.2251   1.4834  391.443   70.188  424.910   67.903 -33.46738 97.65882 
1 1 1    2   13   55 o  238.850   44.227   1.5449   0.5294   1.1538   0.6424   2.3728   0.9347  198.091   58.810  279.610   66.071 -81.51959 88.45374 
1 1 1    2   13   57 o  299.928   41.376   3.4635   0.6882   5.0527   0.8459   0.3515   1.1838  430.704   38.201  169.152   73.407 261.5526 82.75187 
1 1 1    2   14    0 o  1027.12   41.429   26.886   2.0546   29.266   3.5962   25.732   2.5034  1058.52   66.688  995.722   49.175 0.000000 0.000000 
1 1 1    2   14    2 o  1652.18   30.678   70.713   2.5469   69.060   4.0306   71.812   3.2860  1635.37   47.939  1669.00   38.295 -33.62598 61.35648 
1 1 1    2   14    4 o  373.085   32.211   3.5963   0.6156   3.9984   0.8791   3.2095   0.8622  393.634   43.441  352.536   47.572 41.09821 64.42235 
1 1 1    2   14    6 f  802.871   30.049   16.642   1.2398   16.308   1.7674   16.966   1.7397  794.883   43.247  810.860   41.731 -15.97705 60.09811 
1 1 1    2   14    8 o  1264.11   28.536   41.245   1.8540   39.901   2.6159   42.601   2.6280  1243.35   40.922  1284.87   39.783 -41.51697 57.07248 
1 1 1    2   14   10 o  776.896   27.732   15.585   1.1075   15.674   1.5528   15.493   1.5799  779.187   38.762  774.605   39.671 4.581116 55.46468 
1 1 1    2   14   12 o  1104.54   27.297   31.533   1.5496   31.965   2.1715   31.084   2.2119  1112.35   37.971  1096.73   39.227 15.61523 54.59474 
1 1 1    2   14   14 o  1405.47   27.249   51.060   1.9688   51.242   2.7722   50.876   2.7967  1408.03   38.295  1402.90   38.774 5.131104 54.49728 
1 1 1    2   14   16 o  266.757   34.694   1.8121   0.4435   2.0943   0.7703   1.6722   0.5424  279.188   55.621  254.325   41.484 24.86267 69.38789 
1 1 1    2   14   18 o  1710.56   38.696   75.510   3.4031   75.510   3.4031   0.0000   0.0000  1710.56   38.696  ?   ?       ?      ? 
1 1 1    2   14   20 o  2319.02   27.521  138.689   3.2802  143.222   4.6496  134.199   4.6283  2356.84   38.372  2281.20   39.462 75.64429 55.04286 
1 1 1    2   14   22 o  1397.76   27.694   50.371   1.9899   49.459   2.8141   51.283   2.8142  1385.06   39.518  1410.45   38.809 -25.38513 55.38823 
1 1 1    2   14   24 o  700.185   27.995   12.646   1.0071   13.165   1.4229   12.125   1.4255  714.625   38.729  685.745   40.434 28.88055 55.98955 
1 1 1    2   14   26 o  2344.78   27.951  141.788   3.3695  142.717   4.7654  140.859   4.7651  2352.49   39.400  2337.08   39.658 15.41553 55.90285 
1 1 1    2   14   28 o  1797.87   28.160   83.399   2.6023   85.572   3.6885   81.246   3.6721  1821.25   39.392  1774.48   40.251 46.76978 56.31900 
1 1 1    2   14   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   14   32 o  1345.61   28.476   46.802   1.9689   45.085   2.7868   48.514   2.7822  1320.83   41.038  1370.40   39.488 -49.56689 56.95127 
1 1 1    2   14   34 o  751.881   28.882   14.636   1.1162   14.961   1.5765   14.310   1.5806  760.309   40.331  743.453   41.353 16.85602 57.76350 
1 1 1    2   14   36 o  1776.86   28.736   81.906   2.6246   79.977   3.7056   83.847   3.7180  1755.70   41.052  1798.01   40.220 -42.31140 57.47137 
1 1 1    2   14   38 o  831.683   29.145   18.002   1.2447   19.066   1.7645   16.948   1.7561  856.425   40.074  806.940   42.328 49.48523 58.28920 
1 1 1    2   14   40 o  644.881   42.367   11.094   1.3862   13.221   1.9732   9.0211   1.9477  708.087   54.202  581.674   65.130 126.4131 84.73377 
1 1 1    2   14   42 o  447.450   29.995   5.2459   0.6883   5.7559   0.9870   4.7631   0.9603  468.906   40.942  425.993   43.846 42.91254 59.98960 
1 1 1    2   14   44 o  375.368   35.928   3.5685   0.6646   3.1615   0.8130   4.3882   1.1539  345.861   45.722  404.875   55.432 -59.01392 71.85595 
1 1 1    2   14   46 o  543.836   38.028   7.9352   0.9875   7.9000   1.1947   8.0113   1.7546  546.467   42.521  541.204   63.058 5.263123 76.05513 
1 1 1    2   14   48 o  318.274   40.857   2.7526   0.6200   2.6375   0.7604   2.9808   1.0709  313.950   47.107  322.597   66.768 -8.646362 81.71340 
1 1 1    2   14   50 o  767.171   62.107   16.374   2.4497   16.374   2.4497   0.0000   0.0000  767.171   62.107  ?   ?       ?      ? 
1 1 1    2   14   52 o  990.653   44.780   27.793   2.2778   26.018   3.1836   29.655   3.2604  956.156   64.762  1025.15   61.860 -68.99554 89.55928 
1 1 1    2   14   54 o  507.227   47.008   7.5157   1.2257   7.3398   1.7203   7.6970   1.7467  500.907   66.801  513.547   66.157 -12.64059 94.01624 
1 1 1    2   14   56 o  272.819   44.814   2.2883   0.5987   2.3857   0.7268   2.0826   1.0560  291.985   48.418  253.653   75.425 38.33240 89.62807 
1 1 1    2   15    1 o  1287.42   27.773   42.747   1.8382   43.234   2.6090   42.267   2.5903  1294.71   39.195  1280.12   39.358 14.58813 55.54543 
1 1 1    2   15    3 o  1443.38   32.974   53.807   2.4468   54.748   3.4795   52.888   3.4413  1455.88   46.486  1430.89   46.778 24.98621 65.94826 
1 1 1    2   15    5 o  768.103   31.442   15.239   1.2413   15.180   1.7752   15.294   1.7363  766.618   45.040  769.588   43.883 -2.970337 62.88328 
1 1 1    2   15    7 o  650.738   29.751   10.937   0.9947   11.442   1.4132   10.441   1.4005  665.682   41.291  635.795   42.844 29.88715 59.50298 
1 1 1    2   15    9 o  1963.27   28.457   99.578   2.8717   96.796   4.0470  102.399   4.0756  1935.55   40.669  1990.99   39.816 -55.44312 56.91449 
1 1 1    2   15   11 o  296.503   28.247   2.2727   0.4306   2.2444   0.6076   2.3013   0.6103  294.641   40.112  298.366   39.783 -3.725128 56.49457 
1 1 1    2   15   13 o  2056.95   27.419  109.416   2.8983  111.564   4.0651  107.195   4.1333  2077.70   38.056  2036.19   39.483 41.50134 54.83723 
1 1 1    2   15   15 o  806.087   32.921   16.494   1.3011   17.904   2.2410   15.777   1.5981  830.787   52.467  781.387   39.779 49.40033 65.84164 
1 1 1    2   15   17 o  1673.96   38.595   72.312   3.3216   72.312   3.3216   0.0000   0.0000  1673.96   38.595  ?   ?       ?      ? 
1 1 1    2   15   19 o  1288.06   33.936   43.168   2.1087   41.931   3.6574   43.784   2.5809  1273.05   55.880  1303.08   38.524 -30.02222 67.87237 
1 1 1    2   15   21 o  501.984   28.171   6.5246   0.7196   5.3937   1.0075   7.7022   1.0281  457.276   42.855  546.693   36.577 -89.41727 56.34231 
1 1 1    2   15   23 o  1941.26   27.741   97.158   2.7684   98.790   3.9155   95.527   3.9147  1957.60   38.904  1924.91   39.557 32.69495 55.48188 
1 1 1    2   15   25 o  543.026   28.396   7.6074   0.7923   7.9335   1.1219   7.2830   1.1190  554.675   39.340  531.378   40.959 23.29761 56.79128 
1 1 1    2   15   27 o  374.334   28.634   3.6175   0.5497   3.9505   0.7837   3.2950   0.7713  391.355   38.948  357.313   41.985 34.04205 57.26876 
1 1 1    2   15   29 o  2155.78   56.334  120.437   6.2437  120.437   6.2437   0.0000   0.0000  2155.78   56.334  ?   ?       ?      ? 
1 1 1    2   15   31 o  1235.84   35.286   39.871   2.0988   38.664   3.6537   40.465   2.5640  1220.08   58.248  1251.61   39.846 -31.52332 70.57274 
1 1 1    2   15   33 o  1274.27   28.563   42.005   1.8711   42.716   2.6532   41.301   2.6393  1285.05   40.158  1263.50   40.629 21.54761 57.12643 
1 1 1    2   15   35 o  991.541   28.844   25.490   1.4704   25.578   2.0814   25.403   2.0775  993.245   40.759  989.836   40.824 3.408264 57.68784 
1 1 1    2   15   37 o  977.102   29.005   24.821   1.4559   26.090   2.0658   23.568   2.0521  1002.17   40.093  952.032   41.926 50.14044 58.01098 
1 1 1    2   15   39 o  651.822   29.374   11.076   0.9843   11.270   1.3970   10.885   1.3870  657.532   41.325  646.111   41.755 11.42133 58.74707 
1 1 1    2   15   41 o  1163.91   41.876   36.079   2.5058   35.826   3.5473   36.331   3.5402  1159.65   59.497  1168.17   58.945 -8.522827 83.75237 
1 1 1    2   15   43 o  971.340   29.669   24.800   1.4790   22.933   2.0752   26.727   2.1084  933.518   43.239  1009.16   40.637 -75.64337 59.33795 
1 1 1    2   15   45 o  390.694   30.986   4.0375   0.6223   3.9410   0.8707   4.1384   0.8897  385.903   43.884  395.484   43.757 -9.581451 61.97173 
1 1 1    2   15   47 o  400.526   38.807   4.4158   0.7499   4.5759   0.9266   4.1117   1.2767  415.027   43.423  386.024   64.331 29.00299 77.61494 
1 1 1    2   15   49 o  563.826   38.374   8.5846   1.0355   8.4539   1.2527   8.8665   1.8402  562.885   43.287  564.768   63.376 -1.884033 76.74832 
1 1 1    2   15   51 o  425.210   45.307   5.1013   0.9895   4.8138   1.3815   5.4042   1.4180  412.252   65.181  438.168   62.947 -25.91617 90.61423 
1 1 1    2   15   53 o  734.281   45.272   15.504   1.7088   15.826   2.4257   15.187   2.4077  742.416   63.550  726.145   64.493 16.27094 90.54315 
1 1 1    2   15   55 o  245.607   50.087   1.8968   0.6702   2.0529   0.9123   1.7137   0.9880  257.667   67.908  233.546   73.643 24.12061 100.1738 
1 1 1    2   15   57 o  265.095   43.515   1.9746   0.5522   1.5879   0.6640   2.8418   0.9942  228.987   56.699  301.203   66.025 -72.21513 87.02911 
1 1 1    2   16    0 o  183.386   43.045   1.1395   0.3827   0.7941   0.5473   1.4698   0.5353  145.308   66.823  221.465   54.280 0.000000 0.000000 
1 1 1    2   16    2 o  322.896   28.416   2.7042   0.4684   2.3367   0.6631   3.0703   0.6617  300.800   42.875  344.992   37.306 -44.19254 56.83280 
1 1 1    2   16    4 o  634.173   32.574   10.400   1.0616   10.221   1.5139   10.574   1.4892  628.723   46.834  639.623   45.286 -10.90039 65.14742 
1 1 1    2   16    6 o  1344.92   30.979   46.792   2.1405   45.490   3.0555   48.047   2.9997  1326.36   44.807  1363.48   42.791 -37.11560 61.95751 
1 1 1    2   16    8 o  924.787   29.496   22.113   1.4024   21.967   1.9876   22.258   1.9788  921.712   41.944  927.863   41.482 -6.151611 58.99210 
1 1 1    2   16   10 o  284.458   28.845   2.0924   0.4218   2.0521   0.5927   2.1337   0.6005  281.681   40.924  287.236   40.662 -5.555328 57.68996 
1 1 1    2   16   12 o  364.337   28.192   3.4424   0.5261   3.7513   0.7402   3.1270   0.7480  381.012   37.787  347.661   41.849 33.35104 56.38437 
1 1 1    2   16   14 o  1145.33   33.148   33.354   1.8620   35.958   3.2004   32.022   2.2893  1177.43   52.870  1113.24   39.999 64.18347 66.29575 
1 1 1    2   16   16 o  501.441   38.867   6.4887   1.0020   6.4887   1.0020   0.0000   0.0000  501.441   38.867  ?   ?       ?      ? 
1 1 1    2   16   18 o  2066.38   33.486  109.642   3.3655  112.229   5.8195  108.342   4.1253  2083.07   54.339  2049.69   39.147 33.38232 66.97157 
1 1 1    2   16   20 o  522.468   27.838   7.0475   0.7459   7.6324   1.0568   6.4668   1.0531  544.162   37.773  500.774   40.903 43.38855 55.67633 
1 1 1    2   16   22 o  2451.40   27.660  154.920   3.4859  156.883   4.9353  152.966   4.9243  2466.93   38.912  2435.87   39.321 31.06348 55.31971 
1 1 1    2   16   24 o  2026.19   27.836  105.881   2.8985  109.767   4.1069  102.024   4.0912  2063.34   38.715  1989.04   40.008 74.30005 55.67257 
1 1 1    2   16   26 o  1888.00   28.004   91.952   2.7181   93.093   3.8424   90.809   3.8456  1899.76   39.340  1876.23   39.866 23.53503 56.00896 
1 1 1    2   16   28 o  1476.41   33.699   54.918   2.4379   61.033   4.2250   51.866   2.9849  1535.35   53.524  1417.46   40.959 117.8900 67.39796 
1 1 1    2   16   30 o  902.688   34.686   20.995   1.5196   21.408   2.6360   20.790   1.8597  908.248   56.450  897.127   40.321 11.12140 69.37147 
1 1 1    2   16   32 o  1040.12   28.659   28.031   1.5269   25.163   2.1521   30.936   2.1665  986.155   42.448  1094.08   38.517 -107.9223 57.31798 
1 1 1    2   16   34 o  512.960   29.712   6.8545   0.7765   5.7699   1.0928   7.9604   1.1035  471.451   45.086  554.469   38.711 -83.01749 59.42455 
1 1 1    2   16   36 f  1246.30   28.874   40.350   1.8489   38.570   2.6074   42.151   2.6223  1218.39   41.625  1274.21   40.028 -55.81409 57.74825 
1 1 1    2   16   38 o  831.262   29.117   17.997   1.2443   17.727   1.7598   18.268   1.7595  824.934   41.493  837.591   40.859 -12.65753 58.23357 
1 1 1    2   16   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   16   42 o  413.510   30.501   4.4974   0.6472   4.1699   0.9129   4.8283   0.9176  398.049   44.609  428.970   41.608 -30.92090 61.00132 
1 1 1    2   16   44 o  592.523   30.700   9.3093   0.9282   10.619   1.3158   8.0119   1.3097  635.273   40.287  549.772   46.334 85.50134 61.39939 
1 1 1    2   16   46 o  498.151   31.211   6.6240   0.7924   5.6476   1.1203   7.6015   1.1209  460.010   47.368  536.292   40.654 -76.28262 62.42192 
1 1 1    2   16   48 o  384.058   40.747   4.1322   0.7279   4.2392   0.8916   3.9184   1.2604  398.856   43.480  369.260   68.927 29.59558 81.49480 
1 1 1    2   16   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   16   52 o  240.663   43.852   1.6422   0.5285   1.4724   0.6569   1.9539   0.8898  225.484   56.717  255.841   66.895 -30.35617 87.70306 
1 1 1    2   16   54 o  177.245   44.520   0.8532   0.5145   1.0142   0.7106   0.6759   0.7457  187.883   62.709  166.608   63.211 21.27473 89.03951 
1 1 1    2   16   56 o  164.610   42.081   0.6934   0.4748   1.0517   0.6790   0.3503   0.6643  187.796   61.230  141.424   57.742 46.37138 84.16216 
1 1 1    2   17    1 o  919.078   27.959   21.818   1.3210   21.579   1.8736   22.055   1.8627  914.033   39.870  924.123   39.206 -10.09033 55.91742 
1 1 1    2   17    3 o  351.600   27.914   3.1971   0.5034   2.9395   0.7099   3.4577   0.7141  337.273   40.941  365.927   37.955 -28.65396 55.82786 
1 1 1    2   17    5 o  712.816   32.221   13.147   1.1804   13.644   1.6848   12.668   1.6543  726.087   45.133  699.545   45.998 26.54224 64.44234 
1 1 1    2   17    7 o  454.598   31.140   5.3711   0.7242   4.7996   1.0307   5.9284   1.0177  430.428   46.575  478.767   41.346 -48.33884 62.27926 
1 1 1    2   17    9 o  1790.60   29.324   82.945   2.6993   84.466   3.8290   81.443   3.8060  1806.98   41.215  1774.21   41.725 32.77051 58.64845 
1 1 1    2   17   11 o  877.660   28.426   19.914   1.2823   19.297   1.8046   20.543   1.8225  863.876   40.632  891.444   39.764 -27.56787 56.85194 
1 1 1    2   17   13 f  1063.69   35.109   29.872   1.7933   27.668   3.0960   30.985   2.1998  1032.06   58.348  1095.32   39.065 -63.25903 70.21801 
1 1 1    2   17   15 o  708.639   38.946   12.958   1.4189   12.958   1.4189   0.0000   0.0000  708.639   38.946  ?   ?       ?      ? 
1 1 1    2   17   17 o  1575.36   33.525   63.899   2.5753   64.700   4.4184   63.487   3.1693  1581.68   54.335  1569.04   39.288 12.63281 67.05077 
1 1 1    2   17   19 o  1066.05   27.728   29.354   1.5153   31.928   2.1431   26.782   2.1429  1112.99   37.453  1019.10   40.899 93.89545 55.45646 
1 1 1    2   17   21 o  248.742   31.018   1.6565   0.3786   1.1512   0.5323   2.1739   0.5387  207.029   50.470  290.455   36.072 -83.42627 62.03554 
1 1 1    2   17   23 o  763.264   27.968   15.021   1.0972   14.572   1.5440   15.479   1.5595  751.725   39.950  774.803   39.150 -23.07800 55.93506 
1 1 1    2   17   25 o  1005.32   27.997   26.074   1.4467   25.528   2.0501   26.616   2.0419  994.788   40.085  1015.85   39.095 -21.06604 55.99338 
1 1 1    2   17   27 o  2148.46   33.970  117.972   3.5596  123.613   6.1532  115.135   4.3639  2184.79   54.780  2112.13   40.187 72.66162 67.93974 
1 1 1    2   17   29 o  833.475   57.119   18.026   2.4476   18.026   2.4476   0.0000   0.0000  833.475   57.119  ?   ?       ?      ? 
1 1 1    2   17   31 o  331.792   32.867   2.9584   0.5202   1.9314   0.7262   4.0413   0.7457  267.993   54.559  395.591   36.663 -127.5984 65.73323 
1 1 1    2   17   33 o  833.301   28.671   17.985   1.2276   18.802   1.7451   17.185   1.7272  852.136   39.833  814.466   41.248 37.67010 57.34180 
1 1 1    2   17   35 o  1230.90   28.847   39.334   1.8252   38.512   2.5815   40.156   2.5811  1217.92   41.227  1243.89   40.360 -25.97021 57.69361 
1 1 1    2   17   37 o  335.388   29.933   2.9300   0.5157   3.0938   0.7333   2.7698   0.7252  344.759   41.373  326.017   43.269 18.74170 59.86612 
1 1 1    2   17   39 o  363.194   58.906   3.4985   1.0999   3.4985   1.0999   0.0000   0.0000  363.194   58.906  ?   ?       ?      ? 
1 1 1    2   17   41 o  188.934   33.590   0.9818   0.3300   0.7661   0.4723   1.1875   0.4612  169.021   50.481  208.846   44.326 -39.82474 67.18029 
1 1 1    2   17   43 o  803.494   29.723   17.008   1.2272   16.529   1.7443   17.478   1.7270  791.910   42.842  815.078   41.212 -23.16779 59.44633 
1 1 1    2   17   45 o  231.894   33.685   1.5123   0.3973   2.1580   0.5581   0.8488   0.5658  286.398   37.903  177.390   55.697 109.0079 67.37084 
1 1 1    2   17   47 o  436.269   31.120   5.0799   0.6927   5.8580   0.9902   4.3340   0.9695  470.077   40.970  402.461   46.854 67.61548 62.24055 
1 1 1    2   17   49 o  251.498   70.251   1.8574   0.9433   1.8574   0.9433   0.0000   0.0000  251.498   70.251  ?   ?       ?      ? 
1 1 1    2   17   51 o  536.608   49.082   9.4174   1.0861   11.154   1.3205   5.7859   1.9096  645.728   39.775  427.489   89.744 218.2395 98.16335 
1 1 1    2   17   53 o  318.375   43.439   2.7751   0.6511   2.3653   0.7861   3.6700   1.1617  286.289   55.411  350.460   66.914 -64.17102 86.87840 
1 1 1    2   17   55 o  544.803   48.256   8.9915   1.3359   10.392   1.8960   7.6109   1.8826  594.113   62.073  495.494   73.901 98.61954 96.51154 
1 1 1    2   18    0 o  633.464   42.560   10.417   1.2943   11.434   2.2279   9.8992   1.5901  654.088   67.929  612.841   51.295 -0.000000 0.000000 
1 1 1    2   18    2 o  496.591   28.182   6.3802   0.7182   6.8499   1.0192   5.9169   1.0123  514.853   38.506  478.330   41.162 36.52243 56.36485 
1 1 1    2   18    4 o  628.814   33.630   10.305   1.0780   8.7814   1.5252   11.826   1.5239  581.726   50.997  675.903   43.854 -94.17773 67.25999 
1 1 1    2   18    6 o  794.456   31.849   16.376   1.2984   15.473   1.8548   17.244   1.8183  772.721   46.688  816.192   43.331 -43.47034 63.69775 
1 1 1    2   18    8 o  1116.07   30.338   32.265   1.7391   30.908   2.4743   33.591   2.4447  1092.64   44.047  1139.49   41.730 -46.84802 60.67564 
1 1 1    2   18   10 o  780.340   29.254   15.744   1.1737   15.639   1.6580   15.850   1.6616  777.712   41.465  782.968   41.279 -5.255920 58.50887 
1 1 1    2   18   12 o  2695.91   35.419  188.355   4.6035  187.788   8.0455  188.631   5.6133  2689.44   58.186  2702.38   40.402 -12.93774 70.83749 
1 1 1    2   18   14 o  2005.99   39.155  103.820   4.0382  103.820   4.0382   0.0000   0.0000  2005.99   39.155  ?   ?       ?      ? 
1 1 1    2   18   16 o  2727.55   33.822  192.695   4.4972  190.337   7.6716  193.929   5.5510  2712.76   55.006  2742.33   39.372 -29.56519 67.64434 
1 1 1    2   18   18 o  1044.83   27.697   28.137   1.4871   26.944   2.0862   29.369   2.1204  1022.29   39.693  1067.38   38.639 -45.09198 55.39393 
1 1 1    2   18   20 o  1365.38   27.676   48.066   1.9425   48.784   2.7400   47.341   2.7543  1375.67   38.741  1355.10   39.534 20.56641 55.35203 
1 1 1    2   18   22 o  352.038   28.638   3.1968   0.5180   3.0602   0.7307   3.3349   0.7345  344.454   41.260  359.623   39.726 -15.16931 57.27596 
1 1 1    2   18   24 o  1811.59   27.903   84.651   2.5987   85.554   3.6755   83.748   3.6747  1821.29   39.253  1801.90   39.666 19.38306 55.80527 
1 1 1    2   18   26 o  1284.37   33.681   41.601   2.1193   46.022   3.6708   39.390   2.5956  1333.37   53.548  1235.36   40.868 98.01489 67.36170 
1 1 1    2   18   28 o  991.238   39.909   25.371   2.0338   25.371   2.0338   0.0000   0.0000  991.238   39.909  ?   ?       ?      ? 
1 1 1    2   18   30 f  632.297   28.571   10.335   0.9286   10.553   1.3097   10.114   1.3167  639.052   39.862  625.542   40.942 13.50989 57.14188 
1 1 1    2   18   32 o  857.707   28.888   19.113   1.2663   16.675   1.7862   21.577   1.7954  802.131   43.312  913.282   38.238 -111.1508 57.77607 
1 1 1    2   18   34 o  886.707   28.874   20.421   1.3144   19.157   1.8591   21.683   1.8585  859.007   42.095  914.408   39.533 -55.40100 57.74816 
1 1 1    2   18   36 o  574.921   29.802   8.6653   0.8701   10.235   1.2330   7.1082   1.2280  627.802   38.201  522.040   45.753 105.7625 59.60378 
1 1 1    2   18   38 o  838.017   36.537   18.729   1.4696   17.718   2.5490   19.233   1.7986  817.239   60.667  858.795   40.735 -41.55701 73.07430 
1 1 1    2   18   40 o  635.852   38.528   11.252   1.1578   9.2159   1.9724   12.322   1.4300  585.388   65.536  686.317   40.528 -100.9297 77.05518 
1 1 1    2   18   42 o  344.181   30.466   3.1149   0.5387   2.9834   0.7458   3.2585   0.7790  336.591   43.097  351.772   43.074 -15.18121 60.93207 
1 1 1    2   18   44 o  551.885   30.786   8.0743   0.8662   9.4276   1.2434   6.7986   1.2073  597.975   40.445  505.795   46.426 92.17950 61.57212 
1 1 1    2   18   46 o  391.063   30.774   4.0627   0.6185   4.1730   0.8892   3.9593   0.8609  396.161   43.656  385.965   43.385 10.19644 61.54817 
1 1 1    2   18   48 o  443.656   36.925   5.2060   0.8015   5.7998   1.3897   4.9100   0.9812  458.916   58.901  428.395   44.548 30.52155 73.84986 
1 1 1    2   18   50 f  366.862   38.714   3.4127   0.6827   5.1371   1.1949   2.5770   0.8318  432.101   53.788  301.624   55.694 130.4776 77.42722 
1 1 1    2   18   52 o  306.140   42.687   2.4952   0.6193   1.9696   0.7494   3.6268   1.0996  260.245   57.540  352.035   63.071 -91.79025 85.37454 
1 1 1    2   18   54 o  211.210   41.290   1.1375   0.4566   0.7113   0.5529   2.0516   0.8097  161.143   55.302  261.277   61.328 -100.1342 82.57962 
1 1 1    2   18   56 o  233.140   50.712   1.7573   0.6754   1.4177   0.9363   2.1258   0.9752  210.911   71.972  255.369   71.462 -44.45866 101.4233 
1 1 1    2   19    1 o  560.809   31.073   8.0220   0.8822   8.8155   1.3984   7.4974   1.1370  583.250   46.635  538.367   41.078 44.88239 62.14681 
1 1 1    2   19    3 o  337.009   29.422   2.9759   0.4956   3.8459   0.7105   2.1515   0.6917  385.879   35.814  288.138   46.689 97.74005 58.84327 
1 1 1    2   19    5 o  747.624   32.769   14.492   1.2585   13.968   1.7916   15.002   1.7683  734.133   47.468  761.115   45.188 -26.98151 65.53749 
1 1 1    2   19    7 o  817.720   31.390   17.302   1.3195   17.639   1.8843   16.978   1.8482  825.519   44.397  809.920   44.386 15.59900 62.77915 
1 1 1    2   19    9 o  793.195   37.968   16.307   1.4377   16.351   2.5629   16.287   1.7367  792.658   62.889  793.732   42.558 -1.073547 75.93602 
1 1 1    2   19   11 o  1532.98   40.628   60.829   3.1864   62.119   4.7686   59.788   4.2830  1547.03   59.955  1518.92   54.845 28.10938 81.25634 
1 1 1    2   19   13 o  499.929   40.223   6.4483   1.0338   6.4483   1.0338   0.0000   0.0000  499.929   40.223  ?   ?       ?      ? 
1 1 1    2   19   15 o  317.125   41.132   2.5940   0.6706   0.0000   0.0000   2.5940   0.6706  ?   ?   317.125   41.132      ?      ? 
1 1 1    2   19   17 o  301.243   29.180   2.3496   0.4467   1.9119   0.6233   2.8115   0.6403  272.214   44.540  330.273   37.711 -58.05978 58.36062 
1 1 1    2   19   19 o  622.751   28.450   10.046   0.9039   11.506   1.2812   8.5976   1.2755  668.173   37.296  577.330   42.973 90.84259 56.90065 
1 1 1    2   19   21 o  1233.27   27.846   39.230   1.7650   40.216   2.4875   38.231   2.5047  1248.94   38.740  1217.60   40.011 31.33521 55.69292 
1 1 1    2   19   23 o  1072.18   27.868   29.651   1.5362   29.870   2.1717   29.431   2.1732  1076.17   39.251  1068.20   39.572 7.967651 55.73632 
1 1 1    2   19   25 o  751.176   28.156   14.573   1.0860   15.411   1.5359   13.735   1.5358  772.870   38.653  729.481   40.950 43.38928 56.31177 
1 1 1    2   19   27 o  1421.24   56.314   52.377   4.1149   52.377   4.1149   0.0000   0.0000  1421.24   56.314  ?   ?       ?      ? 
1 1 1    2   19   29 o  575.301   34.714   8.4447   0.9716   8.9692   1.6932   8.1872   1.1863  587.755   56.032  562.847   40.996 24.90845 69.42754 
1 1 1    2   19   31 o  744.929   28.632   14.379   1.0940   15.558   1.5520   13.214   1.5424  775.521   38.926  714.336   41.998 61.18488 57.26326 
1 1 1    2   19   33 o  630.002   29.128   10.300   0.9431   10.606   1.3306   9.9905   1.3368  639.520   40.469  620.484   41.906 19.03546 58.25700 
1 1 1    2   19   35 o  468.383   29.677   5.7111   0.7132   5.2658   1.0043   6.1639   1.0128  449.759   43.434  487.007   40.452 -37.24762 59.35405 
1 1 1    2   19   37 o  329.746   32.984   2.9243   0.5275   3.7923   0.7546   2.0947   0.7377  381.752   38.447  277.741   53.605 104.0110 65.96726 
1 1 1    2   19   39 o  154.031   56.227   0.5224   0.5792   0.5224   0.5792   0.0000   0.0000  154.031   56.227  ?   ?       ?      ? 
1 1 1    2   19   41 o  789.036   29.586   16.353   1.1988   15.314   1.6803   17.431   1.7107  763.100   42.828  814.971   40.829 -51.87134 59.17142 
1 1 1    2   19   43 o  462.762   29.971   5.6545   0.7114   6.1594   1.0161   5.1689   0.9964  483.456   40.879  442.068   43.838 41.38760 59.94109 
1 1 1    2   19   45 o  795.735   30.117   16.802   1.2303   15.730   1.7349   17.886   1.7449  769.465   43.856  822.005   41.289 -52.54071 60.23379 
1 1 1    2   19   47 o  259.402   35.507   1.8673   0.4563   1.9643   0.6557   1.7762   0.6353  266.249   49.734  252.556   50.690 13.69307 71.01334 
1 1 1    2   19   49 o  163.784   60.564   0.6345   0.6754   0.6345   0.6754   0.0000   0.0000  163.784   60.564  ?   ?       ?      ? 
1 1 1    2   19   51 o  479.500   32.016   6.2425   0.7879   5.7674   1.1005   6.7421   1.1285  460.072   46.525  498.927   43.994 -38.85513 64.03181 
1 1 1    2   19   53 o  184.377   39.190   1.0535   0.4325   1.3576   0.5163   0.3383   0.7917  218.136   47.396  150.617   62.426 67.51849 78.37937 
1 1 1    2   19   55 o  113.166   32.575   0.1551   0.3012   0.0000   0.4034   0.3506   0.4527   99.042   42.915  127.289   49.018 -28.24689 65.14941 
1 1 1    2   20    0 o   57.163   36.808   0.0000   0.2492   0.0000   0.2492   0.0000   0.0000   57.163   36.808   57.163   36.808 0.000000 0.000000 
1 1 1    2   20    2 o  2837.39   39.508  210.373   5.0101  206.797   9.8998  211.605   5.8088  2813.45   68.441  2861.32   39.487 -47.87695 79.01521 
1 1 1    2   20    4 o  528.962   42.391   7.5610   1.0704   6.4632   1.8226   8.1389   1.3224  497.214   71.300  560.711   45.872 -63.49725 84.78190 
1 1 1    2   20    6 o  1029.22   40.601   28.758   1.9877   23.946   3.3793   31.304   2.4579  958.143   68.600  1100.29   43.449 -142.1456 81.20176 
1 1 1    2   20    8 o  2652.54   43.294  181.833   5.9041   0.0000   0.0000  181.833   5.9041  ?   ?   2652.54   43.294      ?      ? 
1 1 1    2   20   10 o  819.201   42.408   17.584   1.7608   16.129   2.6575   18.723   2.3508  787.977   65.597  850.425   53.767 -62.44800 84.81647 
1 1 1    2   20   12 o  1081.44   37.762   30.364   1.9174   30.537   2.2898   29.959   3.5075  1087.96   40.937  1074.93   63.467 13.03015 75.52439 
1 1 1    2   20   14 o  1551.86   34.446   62.756   2.6170   60.317   4.3929   64.098   3.2582  1527.14   55.950  1576.59   40.197 -49.44543 68.89285 
1 1 1    2   20   16 o  780.419   28.410   15.733   1.1375   16.729   1.5980   14.710   1.6196  805.599   38.582  755.238   41.712 50.36127 56.81969 
1 1 1    2   20   18 o  2737.00   27.947  193.106   3.9323  191.274   5.5166  194.999   5.6067  2723.83   39.393  2750.18   39.653 -26.34229 55.89447 
1 1 1    2   20   20 o  1720.07   27.920   76.325   2.4679   78.234   3.4696   74.370   3.5110  1741.96   38.741  1698.19   40.213 43.76196 55.83906 
1 1 1    2   20   22 o  946.611   27.981   23.118   1.3614   23.648   1.9198   22.583   1.9308  957.554   38.997  935.668   40.137 21.88562 55.96219 
1 1 1    2   20   24 o  2230.55   27.944  128.378   3.2044  126.915   4.5237  129.851   4.5398  2217.76   39.674  2243.33   39.362 -25.57007 55.88723 
1 1 1    2   20   26 o  704.552   57.567   12.875   2.0853   12.875   2.0853   0.0000   0.0000  704.552   57.567  ?   ?       ?      ? 
1 1 1    2   20   28 o  486.572   39.654   6.7328   0.8856   4.6497   1.5024   7.8418   1.0962  422.123   69.228  551.021   38.695 -128.8977 79.30832 
1 1 1    2   20   30 o  1382.79   28.432   49.476   2.0208   48.224   2.8537   50.736   2.8622  1365.13   40.659  1400.44   39.752 -35.31201 56.86317 
1 1 1    2   20   32 o  1399.71   28.641   50.797   2.0608   51.724   2.9138   49.869   2.9151  1412.60   40.120  1386.81   40.885 25.78857 57.28210 
1 1 1    2   20   34 o  523.479   29.263   7.1196   0.7869   7.5279   1.1246   6.7280   1.1015  538.279   40.637  508.678   42.119 29.60095 58.52625 
1 1 1    2   20   36 o  529.800   30.824   7.4618   0.8109   5.2352   1.1387   9.7532   1.1551  446.919   49.556  612.681   36.670 -165.7619 61.64758 
1 1 1    2   20   38 o  465.515   59.605   5.7653   1.4265   5.7653   1.4265   0.0000   0.0000  465.515   59.605  ?   ?       ?      ? 
1 1 1    2   20   40 o  1266.70   29.420   42.117   1.9149   40.447   2.7051   43.795   2.7110  1241.02   42.397  1292.38   40.801 -51.35596 58.84097 
1 1 1    2   20   42 o  739.988   29.649   14.447   1.1262   15.375   1.5942   13.522   1.5912  764.323   40.570  715.653   43.247 48.67017 59.29764 
1 1 1    2   20   44 o  544.368   30.165   7.8569   0.8435   7.4955   1.1948   8.2159   1.1909  531.471   43.727  557.266   41.565 -25.79535 60.32970 
1 1 1    2   20   46 o  175.699   34.565   0.8591   0.3249   0.9461   0.4437   0.7585   0.4772  184.546   46.723  166.851   50.950 17.69453 69.12972 
1 1 1    2   20   48 o  557.097   62.449   8.6656   1.7887   8.6656   1.7887   0.0000   0.0000  557.097   62.449  ?   ?       ?      ? 
1 1 1    2   20   50 f  641.370   32.674   11.280   1.0443   8.1216   1.4542   14.644   1.5007  543.009   52.090  739.731   39.460 -196.7225 65.34889 
1 1 1    2   20   52 o  334.481   33.075   3.0788   0.5679   3.1771   0.7915   2.9745   0.8153  340.713   45.187  328.249   48.311 12.46442 66.15015 
1 1 1    2   20   54 o  204.114   42.173   1.2230   0.4569   1.1291   0.5712   1.3895   0.7611  195.280   54.710  212.948   64.195 -17.66772 84.34602 
1 1 1    2   21    1 o  1000.72   34.798   25.951   1.7887   27.114   2.5221   24.773   2.5371  1023.49   47.931  977.948   50.460 45.54089 69.59581 
1 1 1    2   21    3 o  1594.68   32.143   66.427   2.5601   68.758   3.2875   62.835   4.0809  1631.82   39.186  1557.55   50.962 74.26538 64.28583 
1 1 1    2   21    5 o  1968.05   49.399  100.857   4.9958   96.476   6.9937  105.422   7.1389  1924.11   70.698  2011.98   69.014 -87.87488 98.79852 
1 1 1    2   21    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   21    9 o  783.774   41.131   15.879   1.6557   16.827   2.4021   15.020   2.2852  806.055   57.964  761.492   58.371 44.56287 82.26131 
1 1 1    2   21   11 o  2944.35   43.430  225.096   6.5089  228.588   8.6565  220.553   9.8728  2972.36   56.646  2916.35   65.846 56.00708 86.85932 
1 1 1    2   21   13 o  2760.55   34.600  197.134   4.6966  195.605   7.8751  197.978   5.8511  2750.39   55.692  2770.72   41.075 -20.33496 69.20064 
1 1 1    2   21   15 o  1568.47   34.800   64.620   2.6632   59.912   4.4570   67.234   3.3213  1522.08   56.955  1614.85   40.005 -92.76392 69.60059 
1 1 1    2   21   17 o  2739.49   28.274  193.524   3.9816  195.119   5.5939  191.887   5.6685  2751.02   39.551  2727.96   40.417 23.05981 56.54871 
1 1 1    2   21   19 f  1637.79   28.137   69.206   2.3679   71.254   3.3320   67.117   3.3658  1662.38   38.986  1613.19   40.582 49.18567 56.27399 
1 1 1    2   21   21 o  792.966   34.167   15.966   1.3258   17.148   2.2884   15.369   1.6266  814.124   54.674  771.808   40.993 42.31525 68.33499 
1 1 1    2   21   23 o  1261.43   28.117   41.060   1.8227   39.448   2.5648   42.704   2.5908  1236.35   40.349  1286.50   39.170 -50.14917 56.23476 
1 1 1    2   21   25 o  241.617   42.269   1.5805   0.5437   0.9263   0.7724   2.2230   0.7655  194.805   65.377  288.430   53.595 -93.62503 84.53752 
1 1 1    2   21   27 o  1134.33   34.172   32.833   1.8900   34.840   3.2780   31.833   2.3132  1158.71   55.026  1109.96   40.535 48.75195 68.34433 
1 1 1    2   21   29 o  739.863   28.681   14.165   1.0904   14.713   1.5451   13.622   1.5391  754.197   39.847  725.529   41.262 28.66809 57.36144 
1 1 1    2   21   31 o  685.385   35.905   12.255   1.1842   12.298   1.4426   12.167   2.0735  688.777   40.739  681.992   59.136 6.785156 71.81056 
1 1 1    2   21   33 o  587.672   29.580   9.0035   0.8897   9.9451   1.2558   8.0544   1.2608  618.972   39.463  556.370   44.076 62.60199 59.16074 
1 1 1    2   21   35 o  561.930   29.227   8.2283   0.8439   8.4721   1.1878   7.9798   1.1992  570.485   40.498  553.374   42.152 17.11072 58.45462 
1 1 1    2   21   37 o  785.840   42.005   16.403   1.6967   15.904   2.3829   16.916   2.4163  773.500   59.921  798.180   58.883 -24.68036 84.00998 
1 1 1    2   21   39 o  573.764   37.366   8.9819   1.0243   8.0115   1.7586   9.4801   1.2601  546.000   62.647  601.528   40.747 -55.52759 74.73254 
1 1 1    2   21   41 o  547.599   30.033   7.9026   0.8453   7.6818   1.1923   8.1258   1.1987  539.751   42.965  555.446   41.975 -15.69525 60.06549 
1 1 1    2   21   43 o  1095.68   29.835   31.789   1.6738   35.434   2.3893   28.277   2.3454  1158.92   40.101  1032.44   44.185 126.4766 59.66921 
1 1 1    2   21   45 o  163.740   33.597   0.7380   0.3026   0.8552   0.4135   0.6029   0.4439  175.802   45.427  151.678   49.511 24.12390 67.19353 
1 1 1    2   21   47 o  128.819   34.947   0.3261   0.3155   0.3062   0.5285   0.3371   0.3932  133.053   52.460  124.585   46.184 8.468109 69.89318 
1 1 1    2   21   49 o  747.517   42.689   16.998   1.4498   11.914   2.4586   19.708   1.7951  637.144   75.054  857.890   40.699 -220.7457 85.37820 
1 1 1    2   21   51 o  594.272   31.528   9.6097   0.9604   8.6502   1.3340   10.642   1.3837  562.325   46.141  626.218   42.979 -63.89362 63.05692 
1 1 1    2   21   53 o  203.331   32.664   1.1113   0.3835   2.0917   0.5705   0.3035   0.5179  277.290   40.019  129.371   51.637 147.9183 65.32868 
1 1 1    2   21   55 o  394.343   49.659   5.3837   0.8739   6.3159   1.0745   3.5620   1.5021  475.571   43.945  313.115   89.067 162.4564 99.31857 
1 1 1    2   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   22    2 o  1118.99   42.143   31.712   2.2817   34.681   4.0455   30.327   2.7632  1155.05   68.125  1082.94   49.629 72.10864 84.28526 
1 1 1    2   22    4 o  138.284   35.470   0.3946   0.3179   0.3455   0.4038   0.4745   0.5156  128.687   46.949  147.880   53.182 -19.19316 70.94038 
1 1 1    2   22    6 o  589.686   46.946   8.9820   1.4233   8.9820   1.4233   0.0000   0.0000  589.686   46.946  ?   ?       ?      ? 
1 1 1    2   22    8 o  2011.94   45.191  104.491   4.6745  104.491   4.6745   0.0000   0.0000  2011.94   45.191  ?   ?       ?      ? 
1 1 1    2   22   10 o  1453.70   44.650   54.662   3.3077   54.127   4.3868   55.367   5.0358  1446.18   59.000  1461.22   67.032 -15.04260 89.29919 
1 1 1    2   22   12 o  1352.95   43.827   47.817   3.0046   50.309   3.9913   44.559   4.5643  1394.93   55.654  1310.98   67.719 83.95117 87.65395 
1 1 1    2   22   14 o  1515.29   42.197   59.527   3.2555   60.268   4.3292   58.563   4.9387  1526.88   55.149  1503.70   63.882 23.18616 84.39387 
1 1 1    2   22   16 o  658.953   35.538   11.542   1.1337   10.187   1.8996   12.292   1.4129  627.440   58.887  690.467   39.803 -63.02698 71.07657 
1 1 1    2   22   18 o  872.023   34.664   19.721   1.4774   19.385   2.5036   19.901   1.8300  865.629   56.254  878.417   40.521 -12.78809 69.32873 
1 1 1    2   22   20 o  1362.82   34.455   48.142   2.2898   47.512   3.9025   48.472   2.8277  1354.87   56.024  1370.77   40.124 -15.89783 68.91054 
1 1 1    2   22   22 o  302.731   41.030   2.7141   0.5788   1.6224   0.9744   3.3093   0.7194  247.328   72.161  358.133   39.073 -110.8048 82.06056 
1 1 1    2   22   24 o  466.226   41.043   5.6522   0.9812   5.3779   1.4168   5.9050   1.3601  455.143   60.548  477.308   55.425 -22.16537 82.08580 
1 1 1    2   22   26 o  1004.39   40.670   26.259   2.0939   28.438   2.9518   24.052   2.9707  1046.89   54.843  961.893   60.071 84.99933 81.34001 
1 1 1    2   22   28 o  1661.01   28.521   71.429   2.4315   76.463   3.4476   66.448   3.4297  1719.62   38.996  1602.40   41.630 117.2207 57.04157 
1 1 1    2   22   30 o  1058.33   28.774   29.072   1.5592   25.863   2.1896   32.374   2.2210  998.562   42.650  1118.09   38.636 -119.5287 57.54806 
1 1 1    2   22   32 o  1144.38   28.806   34.008   1.6948   33.958   2.3926   34.058   2.4012  1143.55   40.695  1145.21   40.782 -1.657471 57.61296 
1 1 1    2   22   34 o  360.592   30.463   3.3975   0.5604   3.9313   0.8013   2.8862   0.7842  388.723   40.092  332.462   45.876 56.26151 60.92625 
1 1 1    2   22   36 o  326.485   38.760   2.8291   0.6075   2.9615   1.0246   2.7573   0.7545  328.498   62.959  324.472   45.227 4.026062 77.51937 
1 1 1    2   22   38 o  542.516   36.331   7.5781   0.9599   8.4540   1.6839   7.1564   1.1683  562.908   58.185  522.123   43.523 40.78510 72.66158 
1 1 1    2   22   40 o  705.327   29.820   13.106   1.0800   13.840   1.5264   12.370   1.5283  725.608   40.915  685.046   43.393 40.56213 59.64072 
1 1 1    2   22   42 f  829.379   29.976   18.200   1.2765   17.134   1.8034   19.270   1.8072  804.363   43.609  854.396   41.140 -50.03357 59.95199 
1 1 1    2   22   44 f  140.653   29.764   0.4610   0.2580   0.8822   0.3837   0.1133   0.3486  178.929   42.365  102.377   41.818 76.55178 59.52761 
1 1 1    2   22   46 o  228.769   34.933   1.4610   0.3998   1.2177   0.5575   1.7185   0.5736  207.981   52.217  249.556   46.418 -41.57524 69.86539 
1 1 1    2   22   48 o  463.776   62.622   6.0518   1.4932   6.0518   1.4932   0.0000   0.0000  463.776   62.622  ?   ?       ?      ? 
1 1 1    2   22   50 o  420.691   32.247   4.8450   0.6907   5.5901   0.9781   4.1039   0.9754  455.015   41.809  386.367   49.106 68.64801 64.49343 
1 1 1    2   22   52 o  387.984   33.310   4.2114   0.6477   3.1884   0.9120   5.2526   0.9201  336.367   52.736  439.601   40.709 -103.2337 66.62026 
1 1 1    2   22   54 f  400.420   33.234   4.5074   0.6839   4.4298   0.9742   4.5828   0.9604  396.438   47.797  404.402   46.190 -7.963928 66.46825 
1 1 1    2   23    1 o  217.741   40.884   1.1907   0.4242   1.0997   0.4940   1.4465   0.8281  202.316   48.179  233.167   66.067 -30.85092 81.76881 
1 1 1    2   23    3 o  1004.10   31.498   26.135   1.5970   26.644   2.0829   25.410   2.4875  1016.41   39.860  991.794   48.783 24.61670 62.99694 
1 1 1    2   23    5 o  1347.71   36.702   46.350   2.2989   45.574   2.7109   48.337   4.3378  1329.39   39.664  1366.04   61.764 -36.64832 73.40318 
1 1 1    2   23    7 o  1970.34   42.645  102.239   3.9425  104.910   4.7320   96.178   7.1287  2016.09   45.653  1924.59   72.044 91.49609 85.29099 
1 1 1    2   23    9 o  2197.28   45.341  124.733   5.0826  122.434   6.7524  127.738   7.7200  2174.94   60.387  2219.63   67.650 -44.68774 90.68157 
1 1 1    2   23   11 o  1464.83   44.095   55.274   3.2921   53.514   4.3480   57.638   5.0398  1438.23   58.802  1491.44   65.726 -53.21069 88.19019 
1 1 1    2   23   13 o  967.144   38.331   23.545   1.7465   22.654   2.0695   25.752   3.2554  937.140   42.953  997.149   63.500 -60.00946 76.66240 
1 1 1    2   23   15 o  629.930   39.195   10.408   1.1431   10.609   1.3568   9.9180   2.1216  641.365   41.149  618.494   66.721 22.87128 78.38973 
1 1 1    2   23   17 o  1193.31   35.836   35.759   2.0456   34.084   2.4493   39.622   3.7191  1149.45   41.447  1237.16   58.472 -87.70850 71.67127 
1 1 1    2   23   19 o  618.444   41.188   9.8322   1.3047   8.9776   1.7581   10.880   1.9465  588.769   58.080  648.120   58.416 -59.35089 82.37520 
1 1 1    2   23   21 o  783.079   41.335   15.984   1.6545   17.149   2.2799   14.688   2.4047  813.810   54.492  752.348   62.168 61.46228 82.66920 
1 1 1    2   23   23 o  1283.62   56.207   42.720   3.7093   0.0000   0.0000   42.720   3.7093  ?   ?   1283.62   56.207      ?      ? 
1 1 1    2   23   25 o  424.812   41.650   4.6880   0.9064   4.1717   1.2627   5.2368   1.3018  400.499   61.323  449.126   56.378 -48.62698 83.30062 
1 1 1    2   23   27 o  284.499   39.589   2.1650   0.5363   2.0887   0.9259   2.2035   0.6579  277.296   65.916  291.703   43.868 -14.40701 79.17842 
1 1 1    2   23   29 o  370.649   39.819   3.7621   0.6870   3.2759   1.1652   4.0212   0.8506  347.485   67.656  393.813   42.009 -46.32837 79.63741 
1 1 1    2   23   31 o  1737.10   35.505   79.379   2.9783   76.866   5.1443   80.647   3.6528  1711.61   58.459  1762.58   40.309 -50.97327 71.00938 
1 1 1    2   23   33 o  565.745   29.690   8.3363   0.8630   8.7295   1.2242   7.9480   1.2166  579.156   41.115  552.334   42.843 26.82172 59.38015 
1 1 1    2   23   35 o  484.846   35.483   6.0510   0.8455   6.6156   1.4493   5.7598   1.0410  500.236   56.354  469.455   43.131 30.78043 70.96530 
1 1 1    2   23   37 o  808.980   59.444   17.470   2.4724   17.470   2.4724   0.0000   0.0000  808.980   59.444  ?   ?       ?      ? 
1 1 1    2   23   39 o  373.385   31.001   3.6770   0.5878   4.4492   0.8504   2.9702   0.8135  411.705   40.175  335.065   47.226 76.63947 62.00234 
1 1 1    2   23   41 o  642.613   30.128   10.925   0.9938   11.612   1.4044   10.235   1.4064  663.477   41.170  621.750   43.998 41.72675 60.25593 
1 1 1    2   23   43 o  837.252   30.132   18.606   1.2958   19.573   1.8360   17.647   1.8290  859.563   41.545  814.941   43.654 44.62280 60.26357 
1 1 1    2   23   45 o  824.855   30.603   18.191   1.2894   15.775   1.8128   20.665   1.8343  767.387   45.947  882.324   40.437 -114.9367 61.20656 
1 1 1    2   23   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   23   49 o  247.208   36.901   1.7559   0.4667   1.1125   0.6607   2.3966   0.6594  196.608   59.934  297.808   43.065 -101.2006 73.80131 
1 1 1    2   23   51 o  192.951   36.587   1.0722   0.3762   0.8255   0.5243   1.3341   0.5401  170.554   53.631  215.349   49.782 -44.79538 73.17464 
1 1 1    2   23   53 o  290.823   36.033   2.4316   0.5235   2.0959   0.7335   2.7801   0.7473  265.927   55.444  315.719   46.039 -49.79202 72.06679 
1 1 1    2   24    0 o  1939.77   49.298   97.532   4.9004  101.090   6.9798   94.073   6.8815  1974.98   68.931  1904.57   70.497 0.000000 0.000000 
1 1 1    2   24    2 o  3199.13   28.417  263.896   4.6737  266.847   6.6275  260.976   6.5919  3216.95   40.071  3181.31   40.303 35.63916 56.83329 
1 1 1    2   24    4 o  360.727   33.646   3.3865   0.6062   3.4801   0.7768   3.2406   0.9696  367.353   41.130  354.102   53.259 13.25064 67.29183 
1 1 1    2   24    6 o  873.823   48.767   19.869   2.1776   20.480   2.9498   19.137   3.2281  889.120   64.529  858.526   73.135 30.59387 97.53370 
1 1 1    2   24    8 o  2987.45   37.903  228.170   5.5673  239.048   9.4591  222.404   6.8864  3039.16   60.538  2935.73   45.626 103.4338 75.80577 
1 1 1    2   24   10 o  1198.31   31.382   37.037   1.9330   38.127   2.7576   35.984   2.7103  1215.67   44.121  1180.95   44.639 34.71741 62.76424 
1 1 1    2   24   12 o  1953.49   38.774   98.013   3.5801  100.297   6.5333   97.033   4.2799  1967.50   64.587  1939.48   42.922 28.02649 77.54881 
1 1 1    2   24   14 o  1724.64   29.765   76.722   2.6382   73.887   3.7100   79.623   3.7523  1692.33   42.641  1756.95   41.540 -64.62134 59.52993 
1 1 1    2   24   16 o  2457.53   29.196  155.755   3.6872  149.240   5.1662  162.520   5.2642  2405.06   41.781  2510.00   40.793 -104.9417 58.39272 
1 1 1    2   24   18 o  1260.98   38.568   42.774   2.2557   45.221   2.7103   37.258   4.0691  1323.96   39.817  1198.01   66.064 125.9530 77.13521 
1 1 1    2   24   20 f  2673.94   36.736  187.247   4.6402  190.808   5.5865  179.325   8.3329  2719.06   39.962  2628.81   61.655 90.24878 73.47289 
1 1 1    2   24   22 o  196.686   63.974   0.9719   0.7414   0.9719   0.7414   0.0000   0.0000  196.686   63.974  ?   ?       ?      ? 
1 1 1    2   24   24 o  777.895   41.020   15.671   1.6379   14.833   2.2408   16.633   2.3999  755.681   57.677  800.110   58.342 -44.42908 82.03939 
1 1 1    2   24   26 o  1922.52   35.851   96.780   3.2941   98.256   4.0002   93.671   5.8059  1949.07   39.920  1895.96   59.562 53.11426 71.70245 
1 1 1    2   24   28 o  1346.54   40.970   47.358   2.8286   42.851   3.9477   52.113   4.0550  1279.93   59.991  1413.14   55.814 -133.2076 81.93960 
1 1 1    2   24   30 o  581.422   34.700   8.5452   0.9946   9.7593   1.7080   7.9222   1.2234  610.767   54.392  552.078   43.103 58.68884 69.39946 
1 1 1    2   24   32 o  670.028   41.150   13.216   1.2419   8.2789   2.0842   15.934   1.5464  556.924   72.789  783.133   38.408 -226.2090 82.30094 
1 1 1    2   24   34 o  537.651   38.327   7.9658   0.9753   6.6520   1.6700   8.6458   1.2015  499.510   65.026  575.793   40.587 -76.28293 76.65340 
1 1 1    2   24   36 o  367.579   59.141   3.6024   1.1177   3.6024   1.1177   0.0000   0.0000  367.579   59.141  ?   ?       ?      ? 
1 1 1    2   24   38 o  833.753   36.245   18.262   1.4755   19.135   2.5386   17.817   1.8132  844.565   58.465  822.942   42.856 21.62396 72.49010 
1 1 1    2   24   40 o  754.218   37.216   15.145   1.3535   15.491   2.3709   14.978   1.6485  755.336   61.051  753.100   42.576 2.235779 74.43106 
1 1 1    2   24   42 o  502.022   30.459   6.6867   0.7859   6.6831   1.0975   6.6905   1.1259  502.086   42.515  501.959   43.628 0.1263733 60.91784 
1 1 1    2   24   44 o  404.864   32.185   4.3989   0.6589   5.4161   0.9492   3.4529   0.9153  451.735   40.869  357.992   49.732 93.74319 64.37053 
1 1 1    2   24   46 o  631.722   63.300   11.181   2.0559   11.181   2.0559   0.0000   0.0000  631.722   63.300  ?   ?       ?      ? 
1 1 1    2   24   48 o  833.107   30.893   18.751   1.3218   19.824   1.8780   17.698   1.8607  857.726   42.587  808.487   44.765 49.23895 61.78590 
1 1 1    2   24   50 o  193.434   36.995   1.0807   0.3771   1.1434   0.5364   1.0195   0.5302  198.911   51.906  187.958   52.729 10.95386 73.99004 
1 1 1    2   24   52 o   94.473   27.255   0.1115   0.2101   0.1840   0.2699   0.0000   0.3347   97.941   37.810   91.005   39.264 6.936180 54.50912 
1 1 1    2   25    1 o  222.574   44.542   1.3302   0.5191   1.4136   0.6384   1.1674   0.8920  229.305   54.882  215.842   70.171 13.46225 89.08448 
1 1 1    2   25    3 o  3067.84   42.450  244.660   6.3976  239.738   10.712  247.389   7.9764  3040.67   68.523  3095.01   50.128 -54.34424 84.90089 
1 1 1    2   25    5 o  2068.61   38.180  109.693   3.5911  112.534   6.9926  108.675   4.1851  2084.09   65.261  2053.13   39.648 30.96948 76.36087 
1 1 1    2   25    7 o  451.998   48.658   5.9902   0.9692   3.9250   1.6565   7.0650   1.1950  380.705   86.586  523.290   44.419 -142.5855 97.31522 
1 1 1    2   25    9 o  1981.71   31.952  101.414   3.2529   97.430   4.6200  105.330   4.5809  1942.91   46.251  2020.51   44.098 -77.59717 63.90419 
1 1 1    2   25   11 o  1530.85   31.207   60.469   2.4560   60.652   3.4937   60.289   3.4533  1533.12   44.324  1528.58   43.942 4.537476 62.41420 
1 1 1    2   25   13 o  1248.86   30.572   40.248   1.9618   42.101   2.7890   38.433   2.7600  1277.40   42.466  1220.32   43.991 57.07654 61.14418 
1 1 1    2   25   15 o  776.435   30.123   15.565   1.2019   16.024   1.6929   15.099   1.7066  788.027   41.786  764.843   43.401 23.18408 60.24689 
1 1 1    2   25   17 f  1176.67   29.496   35.753   1.7835   36.709   2.5080   34.775   2.5367  1192.68   40.900  1160.66   42.511 32.01660 58.99144 
1 1 1    2   25   19 o  1034.42   29.353   27.640   1.5603   28.483   2.1975   26.783   2.2156  1050.43   40.691  1018.42   42.316 32.01288 58.70626 
1 1 1    2   25   21 o  266.769   44.690   1.9726   0.6289   1.2083   0.9640   2.5390   0.8299  220.445   73.013  313.093   51.554 -92.64842 89.37975 
1 1 1    2   25   23 o  287.458   43.036   2.0275   0.6583   0.7897   0.8534   3.8467   1.0345  189.749   68.402  385.167   52.243 -195.4182 86.07108 
1 1 1    2   25   25 o  827.513   29.156   17.781   1.2347   19.640   1.7406   15.898   1.7518  871.515   38.847  783.512   43.489 88.00269 58.31256 
1 1 1    2   25   27 o  1143.38   35.222   33.366   1.9457   32.177   2.3571   35.910   3.4469  1114.19   41.147  1172.58   57.177 -58.38440 70.44372 
1 1 1    2   25   29 o  961.903   35.665   23.947   1.6545   23.575   2.0104   24.726   2.9124  952.874   41.037  970.932   58.344 -18.05835 71.33011 
1 1 1    2   25   31 o  1304.22   36.286   44.853   2.2711   45.417   2.7674   43.687   3.9744  1321.36   40.736  1287.08   60.062 34.27246 72.57294 
1 1 1    2   25   33 o  626.299   37.334   10.514   1.1176   10.872   1.3658   9.7891   1.9443  645.616   41.148  606.982   62.306 38.63464 74.66724 
1 1 1    2   25   35 o  103.644   46.721  -0.2537   0.5260  -0.2537   0.5260   0.0000   0.0000  103.644   46.721  ?   ?       ?      ? 
1 1 1    2   25   37 o  597.352   43.439   9.6409   1.3232   8.2497   1.8642   11.054   1.8785  551.811   65.709  642.894   56.834 -91.08289 86.87775 
1 1 1    2   25   39 o  1004.60   37.129   27.177   1.7970   26.446   3.1120   27.543   2.2011  987.254   61.312  1021.94   41.893 -34.68878 74.25705 
1 1 1    2   25   41 o  228.152   42.857   1.4649   0.4938   1.4526   0.8501   1.4711   0.6067  226.653   67.737  229.651   52.524 -2.998276 85.71478 
1 1 1    2   25   43 o  370.901   45.766   4.4448   0.7557   2.4159   1.2735   5.5476   0.9389  284.141   82.378  457.661   39.901 -173.5208 91.53284 
1 1 1    2   25   45 o  444.469   43.594   5.2888   0.9962   0.0000   0.0000   5.2888   0.9962  ?   ?   444.469   43.594      ?      ? 
1 1 1    2   25   47 o  122.824   32.550   0.3225   0.2719   0.3236   0.4422   0.3218   0.3449  126.710   48.531  118.939   43.390 7.770485 65.09927 
1 1 1    2   25   49 o  244.454   39.411   1.9890   0.5213   0.6680   0.8879   2.6841   0.6440  173.285   68.101  315.624   39.689 -142.3382 78.82223 
1 1 1    2   25   51 o  149.278   36.258   0.5617   0.3778   0.0000   0.5985   0.9339   0.4871  119.107   51.937  179.449   50.606 -60.34128 72.51504 
1 1 1    2   25   53 o  281.011   36.159   2.3136   0.5031   2.3017   0.7155   2.3252   0.7076  279.974   51.612  282.049   50.657 -2.074921 72.31807 
1 1 1    2   26    0 o  333.572   66.340   3.4763   0.9849   3.5681   1.4104   3.3890   1.3758  338.811   93.622  328.334   94.016 0.000000 0.000000 
1 1 1    2   26    2 o  1179.10   31.850   35.677   1.8963   36.905   2.9992   34.859   2.4476  1195.53   48.796  1162.67   40.946 32.85754 63.69962 
1 1 1    2   26    4 o  767.755   31.951   15.145   1.2372   15.543   1.9605   14.883   1.5949  775.815   49.153  759.695   40.834 16.12000 63.90132 
1 1 1    2   26    6 o  2036.14   27.972  106.894   2.9279  106.728   4.1676  107.057   4.1142  2034.53   39.843  2037.75   39.271 -3.217651 55.94359 
1 1 1    2   26    8 o  717.269   33.350   13.274   1.2260   14.749   1.7628   11.893   1.7062  755.942   45.356  678.595   48.904 77.34729 66.69952 
1 1 1    2   26   10 o  866.252   32.005   19.367   1.4228   20.950   2.0344   17.850   1.9907  901.016   43.917  831.488   46.566 69.52875 64.00903 
1 1 1    2   26   12 o  864.536   31.220   19.320   1.3850   17.978   1.9617   20.654   1.9556  834.431   45.728  894.640   42.518 -60.20868 62.44070 
1 1 1    2   26   14 o  1674.47   30.381   72.399   2.6136   69.105   3.6897   75.717   3.7027  1636.08   43.865  1712.86   42.046 -76.77673 60.76170 
1 1 1    2   26   16 o  778.027   30.198   15.630   1.2078   15.290   1.7046   15.973   1.7115  769.495   43.087  786.558   42.322 -17.06256 60.39580 
1 1 1    2   26   18 o  1629.19   29.483   68.517   2.4685   65.719   3.4603   71.416   3.5224  1595.25   42.191  1663.13   41.194 -67.88708 58.96651 
1 1 1    2   26   20 o  610.376   44.033   10.008   1.3352   7.6374   1.9840   11.971   1.8051  541.021   71.328  679.731   51.653 -138.7097 88.06647 
1 1 1    2   26   22 o  1039.12   36.673   27.584   1.8125   26.926   2.1708   29.098   3.2932  1020.61   41.371  1057.64   60.564 -37.02771 73.34544 
1 1 1    2   26   24 o  849.368   29.219   18.674   1.2757   18.793   1.7892   18.551   1.8194  852.190   40.836  846.547   41.803 5.642883 58.43901 
1 1 1    2   26   26 o  294.758   33.357   2.2872   0.4933   2.0614   0.6861   2.5289   0.7098  277.377   49.947  312.139   44.229 -34.76257 66.71492 
1 1 1    2   26   28 o  488.042   29.851   6.1882   0.7490   6.1539   1.0565   6.2229   1.0620  486.680   42.225  489.404   42.206 -2.724701 59.70179 
1 1 1    2   26   30 o  960.136   29.191   23.984   1.4409   23.695   2.0255   24.281   2.0501  954.269   41.285  966.002   41.279 -11.73242 58.38145 
1 1 1    2   26   32 o  327.769   31.801   2.8111   0.5329   2.4378   0.7427   3.2071   0.7650  305.027   47.359  350.512   42.453 -45.48483 63.60110 
1 1 1    2   26   34 o  269.089   67.397   2.0214   0.9304   2.0214   0.9304   0.0000   0.0000  269.089   67.397  ?   ?       ?      ? 
1 1 1    2   26   36 o  981.413   42.537   25.942   2.1374   28.238   3.0008   23.578   3.0451  1027.91   56.783  934.919   63.351 92.98804 85.07392 
1 1 1    2   26   38 o  383.446   41.887   4.1459   0.7444   4.4039   0.9184   3.6517   1.2709  408.273   43.752  358.619   71.441 49.65384 83.77399 
1 1 1    2   26   40 o  776.282   37.712   16.204   1.4048   16.167   1.7080   16.282   2.4701  781.333   42.518  771.231   62.296 10.10223 75.42307 
1 1 1    2   26   42 o  989.662   36.825   25.534   1.7676   23.787   2.1387   29.299   3.1401  944.960   44.022  1034.36   59.047 -89.40448 73.65047 
1 1 1    2   26   44 o  262.200   51.057   2.0593   0.7247   2.4620   0.9773   1.5674   1.0801  290.992   66.743  233.407   77.283 57.58525 102.1138 
1 1 1    2   26   46 o  408.272   47.396   4.8197   0.9571   3.8666   1.3307   5.8412   1.3777  359.020   74.534  457.525   58.568 -98.50464 94.79192 
1 1 1    2   26   48 o  229.596   43.688   1.2076   0.6332   0.0000   0.8168   3.0259   1.0023  138.447   60.515  320.745   63.029 -182.2972 87.37687 
1 1 1    2   26   50 o  496.794   38.332   6.7877   0.9477   7.8846   1.5896   6.1828   1.1805  522.499   59.175  471.090   48.740 51.40942 76.66342 
1 1 1    2   26   52 o  312.207   42.268   2.8422   0.6275   3.1789   1.0979   2.6788   0.7647  316.593   69.367  307.821   48.319 8.771637 84.53664 
1 1 1    2   27    1 o  1922.52   34.984   95.464   3.4578   96.041   4.8984   94.890   4.8818  1928.32   49.409  1916.71   49.540 11.60681 69.96770 
1 1 1    2   27    3 o  1043.80   28.885   28.129   1.5481   26.561   2.1950   29.680   2.1836  1014.73   42.074  1072.86   39.588 -58.12964 57.77057 
1 1 1    2   27    5 o  1175.19   28.564   35.651   1.7239   33.822   2.4447   37.459   2.4311  1145.08   41.527  1205.30   39.232 -60.22339 57.12815 
1 1 1    2   27    7 f  2316.13   33.533  138.538   3.9926  138.166   5.6820  138.902   5.6116  2312.98   47.781  2319.28   47.061 -6.307861 67.06554 
1 1 1    2   27    9 o  1588.40   32.721   65.399   2.6597   58.641   3.7838   71.999   3.7393  1506.56   48.850  1670.23   43.546 -163.6617 65.44146 
1 1 1    2   27   11 o  2313.41   31.708  138.154   3.7709  140.556   5.3815  135.837   5.2856  2333.16   44.863  2293.67   44.822 39.49072 63.41673 
1 1 1    2   27   13 o  1483.94   30.962   56.853   2.3619   58.063   3.3589   55.669   3.3220  1499.59   43.566  1468.28   44.007 31.30676 61.92450 
1 1 1    2   27   15 o  148.138   33.675   0.4962   0.3211   0.0923   0.4616   0.8750   0.4470  115.545   47.759  180.730   47.489 -65.18580 67.35077 
1 1 1    2   27   17 o  1019.44   30.270   26.851   1.5862   27.358   2.2398   26.341   2.2467  1029.14   42.332  1009.73   43.278 19.40955 60.53951 
1 1 1    2   27   19 o  571.771   43.783   8.6482   1.2614   7.5637   1.9071   9.4915   1.6818  538.575   68.875  604.966   54.073 -66.39160 87.56503 
1 1 1    2   27   21 o  869.609   42.250   19.338   1.8703   16.137   2.4802   23.560   2.8478  787.312   61.273  951.907   58.189 -164.5956 84.50075 
1 1 1    2   27   23 o  361.876   36.565   3.4308   0.6505   3.3082   1.0822   3.5001   0.8140  356.165   59.100  367.586   43.071 -11.42126 73.12918 
1 1 1    2   27   25 o  321.941   33.491   2.7762   0.5287   3.3570   0.7398   2.1698   0.7559  359.924   39.977  283.959   53.744 75.96448 66.98254 
1 1 1    2   27   27 f  1644.37   29.199   70.262   2.4673   71.891   3.4637   68.583   3.5154  1664.06   40.486  1624.68   42.086 39.37891 58.39801 
1 1 1    2   27   29 o  941.377   29.427   23.055   1.4208   20.951   1.9822   25.278   2.0375  896.844   42.990  985.911   40.196 -89.06714 58.85467 
1 1 1    2   27   31 o  663.516   30.153   11.517   1.0230   10.058   1.4356   13.023   1.4580  620.133   45.029  706.900   40.116 -86.76740 60.30666 
1 1 1    2   27   33 o  552.304   42.431   8.1243   1.1998   9.1412   1.7271   7.1761   1.6679  586.554   57.273  518.054   62.621 68.49927 84.86181 
1 1 1    2   27   35 o  704.882   36.595   13.206   1.2553   13.130   2.1462   13.245   1.5477  699.680   59.661  710.084   42.394 -10.40387 73.18982 
1 1 1    2   27   37 o  164.957   35.425   0.7184   0.3338   0.9349   0.4790   0.5140   0.4653  184.312   49.498  145.602   50.691 38.71054 70.84904 
1 1 1    2   27   39 o  154.012   35.396   0.6159   0.3223   0.7103   0.4625   0.5268   0.4495  162.579   50.245  145.445   49.869 17.13409 70.79213 
1 1 1    2   27   41 o  608.799   31.076   9.8631   0.9723   9.5019   1.3610   10.240   1.3896  597.239   44.324  620.358   43.570 -23.11902 62.15230 
1 1 1    2   27   43 o  176.691   36.132   0.8458   0.3528   0.6145   0.4790   1.1201   0.5216  153.680   51.481  199.702   50.712 -46.02266 72.26391 
1 1 1    2   27   45 o  233.564   65.909   1.5997   0.8259   1.5997   0.8259   0.0000   0.0000  233.564   65.909  ?   ?       ?      ? 
1 1 1    2   27   47 o  235.310   39.883   1.1585   0.4764   0.4972   0.5544   3.0232   0.9310  146.585   54.740  324.035   58.017 -177.4500 79.76527 
1 1 1    2   27   49 o  189.000   38.792   1.1202   0.4699   1.6250   0.5660   0.0000   0.8431  238.828   47.763  139.171   61.140 99.65623 77.58443 
1 1 1    2   27   51 o  177.563   38.227   0.5835   0.3891   0.1339   0.4555   1.7961   0.7481  112.563   47.059  242.563   60.255 -129.9998 76.45390 
1 1 1    2   28    0 o  775.068   73.285   15.936   2.8603   15.936   2.8603   0.0000   0.0000  775.068   73.285  775.068   73.285 -0.000000 0.000000 
1 1 1    2   28    2 o  1621.88   38.523   65.453   2.8705   62.492   3.3391   73.837   5.6186  1556.34   41.731  1687.42   64.765 -131.0763 77.04505 
1 1 1    2   28    4 o  903.278   38.052   20.386   1.6020   19.469   1.8811   22.806   3.0564  868.632   42.122  937.925   63.384 -69.29254 76.10342 
1 1 1    2   28    6 o  977.218   37.497   24.334   1.7124   23.840   2.0252   25.572   3.2070  961.276   40.979  993.160   62.807 -31.88403 74.99335 
1 1 1    2   28    8 o  706.106   33.754   12.877   1.2236   13.827   1.7505   11.970   1.7112  731.641   46.536  680.571   48.905 51.06940 67.50783 
1 1 1    2   28   10 o  1317.83   32.628   44.917   2.2073   42.260   3.1303   47.545   3.1131  1278.81   47.611  1356.85   44.626 -78.04138 65.25567 
1 1 1    2   28   12 o  771.610   32.701   15.430   1.2932   14.245   1.8474   16.570   1.8110  742.266   48.409  800.954   43.978 -58.68768 65.40209 
1 1 1    2   28   14 f  1669.49   31.014   71.999   2.6619   72.753   3.7847   71.261   3.7446  1678.14   43.867  1660.84   43.854 17.29761 62.02793 
1 1 1    2   28   16 o  984.695   39.114   24.487   1.8233   26.828   3.3696   23.517   2.1681  1015.57   64.536  953.820   44.213 61.74902 78.22812 
1 1 1    2   28   18 o  969.332   43.077   24.273   2.1264   25.557   3.2727   23.336   2.7972  990.735   64.250  947.929   57.396 42.80585 86.15359 
1 1 1    2   28   20 o  1088.77   42.760   30.548   2.3739   28.504   3.1255   33.334   3.6496  1046.72   58.079  1130.82   62.774 -84.09839 85.52081 
1 1 1    2   28   22 o  1428.62   35.650   53.517   2.4956   51.423   4.1776   54.679   3.1118  1404.23   57.865  1453.01   41.656 -48.77588 71.29946 
1 1 1    2   28   24 o  1440.87   36.778   53.868   2.5521   54.850   4.4897   53.398   3.1021  1447.07   60.347  1434.68   42.056 12.39539 73.55594 
1 1 1    2   28   26 o  140.788   32.884   0.4915   0.2754   0.5064   0.4124   0.4795   0.3700  143.265   47.767  138.312   45.207 4.953171 65.76803 
1 1 1    2   28   28 o  354.705   31.205   3.2845   0.5682   3.4034   0.7928   3.1589   0.8148  361.478   42.661  347.933   45.552 13.54498 62.40945 
1 1 1    2   28   30 o  1062.09   29.558   29.432   1.6136   28.495   2.2704   30.388   2.2937  1044.84   42.265  1079.34   41.334 -34.49744 59.11660 
1 1 1    2   28   32 o  791.787   44.253   17.046   1.7538   12.823   2.4941   21.176   2.4665  689.023   70.407  894.552   53.630 -205.5281 88.50555 
1 1 1    2   28   34 o  508.240   45.817   7.0863   1.1637   8.8963   1.6442   5.2692   1.6474  577.669   55.361  438.811   73.020 138.8576 91.63406 
1 1 1    2   28   36 o  353.482   36.192   3.4381   0.6063   2.1499   0.8379   4.8539   0.8784  277.221   60.489  429.743   39.758 -152.5224 72.38480 
1 1 1    2   28   38 o  773.330   30.452   15.851   1.2073   14.394   1.6956   17.348   1.7193  736.341   44.789  810.319   41.270 -73.97803 60.90378 
1 1 1    2   28   40 o  469.420   31.962   5.8837   0.7681   6.5452   1.0940   5.2405   1.0788  496.330   42.871  442.511   47.418 53.81940 63.92435 
1 1 1    2   28   42 o  1106.91   30.458   32.701   1.7330   33.428   2.4481   31.970   2.4535  1119.77   42.523  1094.05   43.619 25.71350 60.91684 
1 1 1    2   28   44 o  272.285   73.174   2.2232   1.0463   2.2232   1.0463   0.0000   0.0000  272.285   73.174  ?   ?       ?      ? 
1 1 1    2   28   46 o  275.399   37.040   2.2122   0.5031   2.9369   0.6977   1.4278   0.7260  330.301   41.088  220.498   61.641 109.8024 74.08028 
1 1 1    2   28   48 o  546.897   32.582   8.2223   0.9126   7.3265   1.2702   9.1782   1.3121  514.589   48.010  579.205   44.061 -64.61609 65.16385 
1 1 1    2   28   50 o  436.097   33.209   5.3397   0.7397   5.8984   1.0358   4.7583   1.0566  461.897   43.615  410.297   50.090 51.59952 66.41764 
1 1 1    2   29    1 o  765.051   51.474   15.273   1.9930   18.852   2.8778   11.976   2.7627  852.280   65.676  677.822   79.276 174.4581 102.9472 
1 1 1    2   29    3 o  1463.19   32.580   55.022   2.3932   56.561   3.8456   54.050   3.0574  1479.10   50.570  1447.29   41.090 31.80579 65.15926 
1 1 1    2   29    5 o  1370.63   35.800   48.806   2.5101   45.368   3.6497   51.892   3.4578  1324.13   53.612  1417.13   47.459 -93.00671 71.60038 
1 1 1    2   29    7 o  401.476   33.295   4.1626   0.6792   4.1486   0.8940   4.1818   1.0445  400.834   43.380  402.118   50.520 -1.284058 66.58914 
1 1 1    2   29    9 o  1163.04   38.034   34.156   2.2266   31.085   2.8250   39.192   3.6178  1096.28   50.123  1229.80   57.220 -133.5259 76.06807 
1 1 1    2   29   11 o  1097.50   37.675   31.360   2.0636   31.931   2.6342   30.454   3.3204  1111.49   46.096  1083.51   59.605 27.97583 75.35014 
1 1 1    2   29   13 o  1316.91   36.467   44.767   2.4049   44.294   3.0640   45.526   3.8811  1308.94   45.530  1324.89   56.978 -15.95618 72.93497 
1 1 1    2   29   15 o  833.814   40.933   17.892   1.5945   18.442   2.9724   17.669   1.8893  841.023   68.744  826.606   44.457 14.41626 81.86660 
1 1 1    2   29   17 o  1034.35   35.303   27.513   1.8208   26.879   2.2973   28.584   2.9861  1019.39   43.833  1049.30   55.352 -29.91248 70.60561 
1 1 1    2   29   19 o  546.233   51.391   8.4010   1.3129   10.329   1.7354   5.8199   2.0078  630.457   53.540  462.009   87.735 168.4476 102.7811 
1 1 1    2   29   21 o  320.371   32.473   2.6660   0.5341   2.4932   0.7542   2.8398   0.7564  309.854   47.341  330.888   44.462 -21.03455 64.94601 
1 1 1    2   29   23 o  2094.04   29.731  113.799   3.2007  113.936   4.5085  113.661   4.5446  2095.39   41.850  2092.68   42.240 2.710938 59.46121 
1 1 1    2   29   25 o  729.117   30.081   13.822   1.1276   13.675   1.5942   13.970   1.5950  725.196   42.759  733.037   42.322 -7.840210 60.16235 
1 1 1    2   29   27 o  371.181   31.706   3.5916   0.6047   3.4285   0.8434   3.7642   0.8675  362.460   45.261  379.901   44.414 -17.44070 63.41241 
1 1 1    2   29   29 f  485.744   30.776   6.1634   0.7669   5.6336   1.0711   6.7207   1.0985  464.079   44.893  507.409   42.110 -43.33023 61.55190 
1 1 1    2   29   31 o  719.454   43.360   13.939   1.5859   11.826   2.2697   15.954   2.2169  663.334   66.553  775.573   55.597 -112.2388 86.72020 
1 1 1    2   29   33 o  377.243   48.381   3.9651   0.9084   4.4451   1.2505   3.4288   1.3218  407.142   59.739  347.343   76.119 59.79977 96.76144 
1 1 1    2   29   35 o  335.698   32.043   2.9820   0.5513   2.6906   0.7719   3.2854   0.7877  318.562   47.133  352.834   43.422 -34.27155 64.08561 
1 1 1    2   29   37 o  491.183   31.175   6.4037   0.7854   6.9252   1.1143   5.8889   1.1072  511.652   42.361  470.714   45.750 40.93799 62.34981 
1 1 1    2   29   39 o  462.836   32.958   5.8168   0.7602   4.2196   1.0715   7.4358   1.0788  395.313   52.722  530.358   39.564 -135.0443 65.91556 
1 1 1    2   29   41 o  618.238   31.498   10.231   0.9993   10.931   1.4142   9.5325   1.4123  640.215   42.966  596.261   46.071 43.95422 62.99697 
1 1 1    2   29   43 o  540.665   46.504   8.3999   1.2615   6.6674   1.8213   9.9977   1.7490  479.708   73.846  601.622   56.544 -121.9138 93.00757 
1 1 1    2   29   45 o  772.434   38.690   16.364   1.4550   17.324   2.5137   15.881   1.7843  780.115   62.675  764.754   45.382 15.36084 77.37947 
1 1 1    2   29   47 o  411.616   32.946   4.6698   0.6947   4.2540   0.9843   5.0824   0.9806  391.987   48.844  431.244   44.227 -39.25763 65.89153 
1 1 1    2   29   49 o  170.858   35.530   0.8087   0.3514   0.4499   0.4809   1.2198   0.5148  137.014   51.018  204.702   49.464 -67.68782 71.05997 
1 1 1    2   30    0 o  2252.53   50.306  131.606   5.8106  136.505   8.2683  126.826   8.1674  2294.32   70.245  2210.75   72.031 0.000000 0.000000 
1 1 1    2   30    2 o  1975.42   32.257  100.666   3.2182   99.992   4.1712  101.659   5.0585  1968.17   41.222  1982.67   49.625 -14.49634 64.51321 
1 1 1    2   30    4 o  1584.51   32.893   64.539   2.6111   66.410   4.2211   63.379   3.3232  1602.11   51.247  1566.91   41.251 35.20251 65.78699 
1 1 1    2   30    6 o  1378.39   32.673   48.729   2.2523   50.699   3.6674   47.536   2.8539  1399.79   50.959  1356.99   40.907 42.80066 65.34676 
1 1 1    2   30    8 o  1315.92   34.975   44.706   2.3605   46.042   3.4805   43.569   3.2122  1333.86   50.753  1297.98   48.136 35.87903 69.94918 
1 1 1    2   30   10 o  974.187   42.533   24.308   1.9505   25.467   3.6031   23.827   2.3198  988.534   70.895  959.840   47.010 28.69421 85.06510 
1 1 1    2   30   12 o  508.862   46.274   6.4688   1.1852   8.5940   1.8989   5.1128   1.5169  574.671   64.271  443.052   66.592 131.6185 92.54859 
1 1 1    2   30   14 o  1468.23   45.005   56.067   3.3324   56.396   5.2548   55.845   4.3099  1470.06   69.526  1466.41   57.167 3.650024 90.01057 
1 1 1    2   30   16 o  1577.74   35.400   63.639   2.7959   60.745   3.5340   68.480   4.5714  1531.82   44.873  1623.65   54.763 -91.83203 70.79926 
1 1 1    2   30   18 o  876.631   57.193   20.020   2.5777   20.020   2.5777   0.0000   0.0000  876.631   57.193  ?   ?       ?      ? 
1 1 1    2   30   20 o  1452.94   35.182   54.110   2.5412   51.890   3.1801   58.032   4.2271  1414.26   43.736  1491.61   55.121 -77.35571 70.36421 
1 1 1    2   30   22 o  328.693   32.831   2.8177   0.5507   2.4020   0.7707   3.2515   0.7873  303.599   49.373  353.786   43.286 -50.18729 65.66109 
1 1 1    2   30   24 o  1729.04   30.009   77.754   2.6646   72.934   3.7393   82.726   3.7979  1674.12   43.444  1783.96   41.408 -109.8446 60.01702 
1 1 1    2   30   26 o  903.525   30.275   21.280   1.4061   21.442   1.9752   21.113   2.0022  907.153   42.351  899.898   43.275 7.254822 60.55046 
1 1 1    2   30   28 o  752.955   30.332   14.818   1.1695   13.150   1.6340   16.570   1.6745  708.924   44.832  796.986   40.866 -88.06281 60.66311 
1 1 1    2   30   30 o  784.073   39.595   16.960   1.4606   14.576   2.5480   18.127   1.7825  735.870   67.348  832.276   41.657 -96.40601 79.19001 
1 1 1    2   30   32 o  445.462   45.535   5.4037   1.0300   5.7436   1.3843   4.9823   1.5416  463.270   58.120  427.654   70.114 35.61539 91.07077 
1 1 1    2   30   34 o  688.220   30.591   12.516   1.0800   11.603   1.5295   13.423   1.5252  662.484   44.906  713.955   41.552 -51.47076 61.18128 
1 1 1    2   30   36 o  617.303   31.032   10.100   0.9848   10.092   1.3836   10.108   1.4020  617.182   43.605  617.425   44.166 -0.2434692 62.06419 
1 1 1    2   30   38 o  713.351   31.183   13.536   1.1434   13.230   1.6025   13.854   1.6320  705.074   44.209  721.627   43.989 -16.55347 62.36499 
1 1 1    2   30   40 o  314.274   33.433   2.6564   0.5387   2.8788   0.7632   2.4355   0.7606  327.968   45.265  300.580   49.216 27.38815 66.86636 
1 1 1    2   30   42 o  636.442   46.232   11.523   1.4970   10.188   2.1725   12.729   2.0656  596.064   70.893  676.821   59.360 -80.75714 92.46304 
1 1 1    2   30   44 o  310.521   43.634   2.9377   0.6412   2.2693   1.0873   3.2941   0.7940  272.129   75.209  348.913   44.263 -76.78336 87.26760 
1 1 1    2   30   46 o  374.235   35.103   3.9283   0.6617   4.6970   0.9267   3.1284   0.9453  415.277   43.402  333.193   55.183 82.08481 70.20665 
1 1 1    2   30   48 o  335.496   35.400   3.1659   0.6100   3.0029   0.8597   3.3312   0.8657  326.091   51.276  344.901   48.821 -18.81067 70.80085 
1 1 1    2   30   50 o  236.622   37.994   1.6713   0.4573   1.2276   0.6292   2.1680   0.6658  200.389   57.849  272.855   49.272 -72.46526 75.98843 
1 1 1    2   31    1 o  1720.31   35.573   76.645   3.1422   72.203   4.4435   81.087   4.4441  1670.09   51.751  1770.53   48.821 -100.4427 71.14507 
1 1 1    2   31    3 o  1175.59   29.278   35.686   1.7680   37.698   2.5192   33.734   2.4819  1208.34   40.552  1142.85   42.241 65.49451 58.55552 
1 1 1    2   31    5 o  1132.47   29.307   33.127   1.7059   32.887   2.4338   33.359   2.3919  1128.36   41.954  1136.57   40.933 -8.208740 58.61396 
1 1 1    2   31    7 o  1100.98   28.799   31.338   1.6285   29.947   2.3156   32.698   2.2906  1076.65   41.833  1125.31   39.592 -48.66846 57.59829 
1 1 1    2   31    9 o  1095.00   33.902   31.031   1.9067   32.914   2.7205   29.212   2.6732  1127.82   46.918  1062.19   48.951 65.63733 67.80442 
1 1 1    2   31   11 o  2266.29   42.233  131.660   4.4750  137.966   8.3628  129.129   5.2972  2298.75   70.761  2233.84   46.124 64.91016 84.46606 
1 1 1    2   31   13 f  695.732   46.502   12.295   1.6282   14.221   2.6489   11.126   2.0643  737.723   69.839  653.741   61.417 83.98175 93.00313 
1 1 1    2   31   15 o  2073.48   49.872  112.653   5.3149  113.227   7.4370  112.053   7.5983  2079.41   69.565  2067.54   71.481 11.86255 99.74371 
1 1 1    2   31   17 o  1262.17   70.573   41.858   4.5796   0.0000   0.0000   41.858   4.5796  ?   ?   1262.17   70.573      ?      ? 
1 1 1    2   31   19 o  1020.42   44.293   27.393   2.2869   26.790   3.5409   27.824   2.9954  1008.88   68.266  1031.96   56.457 -23.08826 88.58679 
1 1 1    2   31   21 o  291.272   38.224   2.1471   0.5503   1.6577   0.6995   2.9423   0.8915  246.860   56.353  335.683   51.658 -88.82280 76.44712 
1 1 1    2   31   23 o  667.049   35.889   11.612   1.1830   11.544   1.4803   11.731   1.9682  665.934   43.237  668.163   57.294 -2.229004 71.77748 
1 1 1    2   31   25 o  223.805   39.285   1.3289   0.4412   1.1736   0.5610   1.5806   0.7144  207.488   52.537  240.120   58.422 -32.63216 78.56954 
1 1 1    2   31   27 o  1150.10   35.335   33.945   2.0130   31.843   2.4970   37.846   3.4021  1103.33   44.019  1196.88   55.287 -93.55042 70.67049 
1 1 1    2   31   29 o  1170.66   43.182   36.717   2.5880   35.266   3.7887   37.986   3.5435  1146.53   64.274  1194.79   57.686 -48.26355 86.36453 
1 1 1    2   31   31 o  734.065   44.844   14.621   1.6771   15.354   2.2659   13.733   2.4940  757.247   58.202  710.882   68.239 46.36469 89.68822 
1 1 1    2   31   33 o  914.502   30.453   22.065   1.4318   22.177   2.0202   21.952   2.0295  916.946   42.854  912.058   43.280 4.888123 60.90675 
1 1 1    2   31   35 o  414.317   31.965   4.5569   0.6806   4.6076   0.9788   4.5094   0.9471  416.396   45.719  412.237   44.686 4.159637 63.93028 
1 1 1    2   31   37 o  542.011   32.204   7.8693   0.8924   8.6391   1.2482   7.0642   1.2765  570.494   42.556  513.529   48.347 56.96521 64.40848 
1 1 1    2   31   39 o  974.409   31.035   25.347   1.5528   23.753   2.1805   26.988   2.2119  942.382   45.006  1006.44   42.747 -64.05341 62.07088 
1 1 1    2   31   41 o  352.735   46.173   3.8098   0.7439   2.8815   1.2973   4.2645   0.9080  306.973   81.016  398.496   44.319 -91.52286 92.34615 
1 1 1    2   31   43 f  239.842   46.869   1.7544   0.6657   2.5691   0.8832   0.6831   1.0128  298.229   59.688  181.455   72.279 116.7736 93.73876 
1 1 1    2   31   45 o  550.568   33.096   8.3492   0.9283   7.0833   1.3050   9.6459   1.3208  505.525   50.210  595.612   43.132 -90.08679 66.19239 
1 1 1    2   31   47 o  311.124   36.541   2.7522   0.5718   2.5593   0.7891   2.9655   0.8297  296.964   53.660  325.283   49.614 -28.31891 73.08199 
1 1 1    2   31   49 o  287.670   39.367   2.4485   0.5675   1.9123   0.7844   3.0374   0.8221  248.386   61.702  326.955   48.908 -78.56924 78.73480 
1 1 1    2   32    0 o  1962.56   50.964  100.358   5.1103  109.480   7.2360   91.280   7.2181  2053.09   68.727  1872.03   75.274 -0.000000 0.000000 
1 1 1    2   32    2 o  1479.08   35.918   56.731   2.7231   62.273   3.8764   51.331   3.8263  1550.95   48.613  1407.20   52.888 143.7433 71.83598 
1 1 1    2   32    4 o  936.206   29.644   22.649   1.4249   24.238   2.0339   21.117   1.9970  968.583   40.843  903.829   42.975 64.75391 59.28747 
1 1 1    2   32    6 o  1709.87   29.020   75.547   2.5509   75.657   3.6289   75.439   3.5866  1711.06   41.251  1708.68   40.827 2.377686 58.03899 
1 1 1    2   32    8 o  2104.63   33.066  115.405   3.4451  111.815   5.6515  117.528   4.3460  2076.37   52.941  2132.89   39.633 -56.52271 66.13251 
1 1 1    2   32   10 o  676.181   50.731   12.374   1.6927   10.107   2.6404   13.956   2.2055  619.818   82.857  732.543   58.561 -112.7249 101.4626 
1 1 1    2   32   12 o  1848.68   37.278   87.877   3.4560   84.844   4.3913   92.813   5.6016  1809.10   47.213  1888.26   57.701 -79.15503 74.55525 
1 1 1    2   32   14 o  722.095   43.519   13.572   1.4531   13.509   1.7140   13.731   2.7402  721.663   46.196  722.527   73.768 -0.8639526 87.03843 
1 1 1    2   32   16 o  906.211   37.534   21.836   1.6702   19.809   2.7359   23.040   2.1087  870.013   61.164  942.411   43.522 -72.39819 75.06813 
1 1 1    2   32   18 o  533.339   43.801   7.5992   1.0652   7.1679   2.0150   7.7664   1.2549  520.006   75.369  546.672   44.648 -26.66565 87.60106 
1 1 1    2   32   20 o  486.104   51.746   7.3590   1.0451   4.3866   1.8925   8.6633   1.2536  394.873   94.483  577.334   42.234 -182.4617 103.4926 
1 1 1    2   32   22 o  556.970   39.814   7.9479   1.0568   8.7063   1.9269   7.6216   1.2638  573.370   65.367  540.570   45.475 32.79956 79.62870 
1 1 1    2   32   24 o  356.553   47.427   3.9588   0.7582   2.2824   1.3456   4.7385   0.9177  286.781   85.112  426.325   41.870 -139.5434 94.85341 
1 1 1    2   32   26 o  493.517   38.217   6.0091   0.9152   7.7461   1.6564   5.2458   1.0980  540.035   59.660  447.000   47.778 93.03473 76.43343 
1 1 1    2   32   28 o  211.662   46.089   1.1865   0.5512   1.4514   0.8298   0.9774   0.7373  229.407   66.496  193.917   63.835 35.48982 92.17735 
1 1 1    2   32   30 o  212.092   53.627   1.2429   0.5851   1.2429   0.5851   0.0000   0.0000  212.092   53.627  ?   ?       ?      ? 
1 1 1    2   32   32 o  209.784   39.368   1.2999   0.4372   1.5576   0.5365   0.7905   0.7542  239.018   45.317  180.551   64.387 58.46683 78.73579 
1 1 1    2   32   34 o  398.119   39.836   4.2635   0.7819   4.2115   0.9755   4.3571   1.3077  397.483   47.736  398.755   63.789 -1.271881 79.67240 
1 1 1    2   32   36 o  1050.05   36.246   28.578   1.8757   26.023   2.3023   33.622   3.2347  988.031   45.323  1112.06   56.576 -124.0319 72.49110 
1 1 1    2   32   38 f  436.734   43.457   5.6161   0.8672   6.3013   1.0837   4.3959   1.4461  486.085   43.363  387.382   75.323 98.70316 86.91353 
1 1 1    2   32   40 o  192.419   43.084   0.6278   0.4178   1.9417   0.9572   0.3186   0.4644  256.287   70.457  128.552   49.605 127.7351 86.16789 
1 1 1    2   32   42 o  246.185   51.269   1.7849   0.6822   1.5922   0.8788   2.0771   1.0821  231.615   68.793  260.755   76.036 -29.14032 102.5372 
1 1 1    2   32   44 o  441.450   33.614   5.3596   0.7606   5.8551   1.0827   4.8766   1.0689  462.812   45.501  420.088   49.491 42.72375 67.22823 
1 1 1    2   32   46 o  302.820   38.706   2.6538   0.5761   3.6804   0.8436   1.7564   0.7887  365.340   44.911  240.300   63.052 125.0404 77.41105 
1 1 1    2   32   48 o  209.963   31.764   1.3562   0.3961   2.3646   0.5365   0.1480   0.5872  295.464   35.317  124.462   52.808 171.0014 63.52898 
1 1 1    2   33    1 o  374.610   54.186   3.7765   1.0250   3.1383   1.4630   4.3917   1.4364  338.968   84.301  410.252   68.101 -71.28427 108.3715 
1 1 1    2   33    3 o  344.187   40.608   3.1544   0.6947   2.6847   0.9943   3.6022   0.9710  315.609   63.475  372.764   50.663 -57.15491 81.21512 
1 1 1    2   33    5 o  843.989   42.641   18.390   1.8044   17.887   2.2954   19.203   2.9190  830.067   53.787  857.911   66.180 -27.84387 85.28123 
1 1 1    2   33    7 o  1433.34   42.017   53.973   3.0208   55.885   3.9090   51.139   4.7596  1467.30   51.818  1399.38   66.155 67.92383 84.03358 
1 1 1    2   33    9 o  1047.98   37.515   28.621   1.8455   28.738   2.2034   28.346   3.3780  1053.92   40.664  1042.03   63.054 11.89063 75.02917 
1 1 1    2   33   11 o  1046.90   44.913   28.997   2.1816   29.471   2.5931   27.850   4.0356  1065.65   47.331  1028.16   76.345 37.48840 89.82610 
1 1 1    2   33   13 o  1597.06   48.053   67.003   3.8722   67.035   5.0207   66.958   6.0832  1600.82   61.003  1593.29   74.262 7.538452 96.10521 
1 1 1    2   33   15 o  706.881   37.025   12.676   1.3141   14.660   2.1537   11.500   1.6587  749.022   55.926  664.739   48.535 84.28308 74.04957 
1 1 1    2   33   17 o  793.211   32.320   16.374   1.3180   16.286   1.8706   16.460   1.8573  791.034   45.996  795.388   45.418 -4.354675 64.64064 
1 1 1    2   33   19 o  682.901   31.947   12.156   1.1207   11.594   1.5858   12.717   1.5840  666.900   46.251  698.902   44.083 -32.00232 63.89426 
1 1 1    2   33   21 o  907.166   31.379   21.449   1.4621   20.170   2.0402   22.799   2.0964  879.158   45.137  935.174   43.604 -56.01624 62.75815 
1 1 1    2   33   23 o  842.358   31.430   18.596   1.3554   20.502   1.9151   16.683   1.9186  886.463   42.021  798.253   46.750 88.21027 62.85978 
1 1 1    2   33   25 o  650.524   40.871   11.288   1.2587   11.070   2.2576   11.386   1.5163  641.874   68.411  659.175   44.742 -17.30078 81.74297 
1 1 1    2   33   27 o  572.432   45.245   8.7454   1.3230   9.3267   2.0105   8.3015   1.7569  588.097   66.493  556.766   61.378 31.33185 90.49088 
1 1 1    2   33   29 o  467.762   52.523   6.0877   1.2056   4.5629   1.6547   7.8129   1.7601  397.913   83.544  537.611   63.681 -139.6979 105.0469 
1 1 1    2   33   31 o  773.651   39.602   16.169   1.4616   15.841   2.5808   16.323   1.7734  761.354   65.933  785.948   43.888 -24.59497 79.20442 
1 1 1    2   33   33 o  558.377   42.132   8.8457   1.1016   7.4567   1.9158   9.5318   1.3465  517.095   72.061  599.658   43.676 -82.56348 84.26385 
1 1 1    2   33   35 o  247.798   42.265   1.9610   0.5757   0.6337   1.0110   2.5979   0.7003  183.013   72.431  312.583   43.578 -129.5701 84.52965 
1 1 1    2   33   37 o  241.294   48.201   1.7075   0.6369   1.2940   0.9515   2.0432   0.8574  216.008   72.560  266.580   63.470 -50.57230 96.40188 
1 1 1    2   33   39 o  361.622   39.398   3.2881   0.6820   2.3858   0.8315   5.1439   1.1925  289.684   57.853  433.560   53.497 -143.8765 78.79630 
1 1 1    2   33   41 o  1055.40   44.332   30.099   2.4055   30.099   2.4055   0.0000   0.0000  1055.40   44.332  ?   ?       ?      ? 
1 1 1    2   33   43 o  242.126   41.314   1.4289   0.5185   0.7160   0.6287   2.9445   0.9167  165.317   58.806  318.934   58.045 -153.6167 82.62782 
1 1 1    2   33   45 o  423.054   40.824   5.1562   0.8449   5.1964   1.0538   5.0840   1.4135  432.686   47.372  413.422   66.500 19.26434 81.64764 
1 1 1    2   33   47 o  422.032   44.889   5.5045   0.8814   5.8422   1.1001   4.8992   1.4729  455.984   46.924  388.079   76.539 67.90533 89.77792 
1 1 1    2   34    0 o  449.031   85.755   5.7749   1.7703   5.7749   1.7703   0.0000   0.0000  449.031   85.755  449.031   85.755 -0.000000 0.000000 
1 1 1    2   34    2 o  746.744   51.766   14.657   1.9840   14.128   2.8558   15.151   2.7583  733.138   75.765  760.349   70.560 -27.21094 103.5326 
1 1 1    2   34    4 o  1228.47   41.633   40.734   2.3004   42.393   2.7025   36.370   4.3834  1279.84   41.072  1177.10   72.432 102.7405 83.26600 
1 1 1    2   34    6 f  728.650   41.578   14.520   1.3749   15.409   1.6332   12.357   2.5474  771.474   41.176  685.826   72.246 85.64734 83.15599 
1 1 1    2   34    8 o  1228.62   29.018   39.110   1.8323   38.301   2.6079   39.898   2.5749  1215.92   41.717  1241.32   40.346 -25.39893 58.03540 
1 1 1    2   34   10 f  1219.43   47.282   40.851   2.6274   43.322   3.1294   34.949   4.8367  1291.28   47.137  1147.58   81.977 143.7029 94.56319 
1 1 1    2   34   12 o  183.111   46.873   0.7322   0.5327   0.7394   0.6333   0.7149   0.9853  174.309   59.192  191.914   72.694 -17.60419 93.74527 
1 1 1    2   34   14 o  150.556   36.321   0.5460   0.3372   0.5626   0.4676   0.5280   0.4868  151.480   50.865  149.632   51.861 1.848297 72.64187 
1 1 1    2   34   16 o  766.125   33.233   15.320   1.3071   14.517   1.8613   16.100   1.8359  745.964   48.532  786.286   45.414 -40.32214 66.46684 
1 1 1    2   34   18 o  1117.28   31.964   32.549   1.8360   32.202   2.5933   32.899   2.5998  1111.23   45.392  1123.33   45.015 -12.09436 63.92844 
1 1 1    2   34   20 o  941.917   31.868   23.176   1.5419   24.391   2.1900   21.980   2.1714  966.746   44.061  917.087   46.054 49.65881 63.73623 
1 1 1    2   34   22 o  1196.87   31.483   37.472   1.9370   37.540   2.7161   37.402   2.7631  1198.17   44.091  1195.57   44.953 2.601685 62.96693 
1 1 1    2   34   24 o  467.597   32.544   5.7396   0.7813   6.1484   1.1153   5.3457   1.0947  484.198   44.804  450.995   47.212 33.20279 65.08704 
1 1 1    2   34   26 o  1003.56   44.540   27.077   2.2778   26.968   3.4491   27.161   3.0334  998.781   67.168  1008.33   58.514 -9.552429 89.08094 
1 1 1    2   34   28 o  1205.03   39.761   37.422   2.2685   35.283   2.6917   42.665   4.2141  1156.20   45.282  1253.85   65.371 -97.64905 79.52248 
1 1 1    2   34   30 o  1091.10   31.027   31.469   1.7403   30.886   2.4467   32.067   2.4760  1080.76   44.033  1101.44   43.724 -20.67615 62.05376 
1 1 1    2   34   32 o  174.742   38.015   0.8300   0.3747   0.8778   0.5030   0.7705   0.5617  178.717   51.760  170.766   55.692 7.950745 76.03050 
1 1 1    2   34   34 o  325.194   42.128   2.8344   0.6472   3.2509   1.1520   2.6423   0.7823  336.409   68.924  313.980   48.460 22.42886 84.25543 
1 1 1    2   34   36 o  301.192   44.489   2.4611   0.6271   2.9843   1.1353   2.2314   0.7524  319.818   70.907  282.567   53.753 37.25061 88.97832 
1 1 1    2   34   38 o  356.108   50.488   4.2455   0.8288   2.3691   1.4857   5.0932   0.9985  276.768   90.591  435.448   44.603 -158.6795 100.9755 
1 1 1    2   34   40 o  195.138   68.741   1.0375   0.8571   1.0375   0.8571   0.0000   0.0000  195.138   68.741  ?   ?       ?      ? 
1 1 1    2   34   42 o  258.452   45.596   2.1134   0.6137   1.4073   1.0797   2.4504   0.7459  218.611   77.138  298.293   48.639 -79.68195 91.19244 
1 1 1    2   34   44 o  212.713   40.303   0.9471   0.4622   2.5294   0.8793   0.3429   0.5433  291.406   60.661  134.020   53.080 157.3870 80.60563 
1 1 1    2   34   46 o  114.414   33.619   0.1055   0.2987   0.3715   0.5606   0.0000   0.3531  135.783   53.871   93.045   40.234 42.73729 67.23740 
1 1 1    2   35    1 o  1837.97   36.006   87.884   3.4023   88.331   4.8136   87.438   4.8096  1842.69   50.810  1833.26   51.029 9.434082 72.01152 
1 1 1    2   35    3 o  586.087   34.095   8.9811   1.0065   9.2149   1.3088   8.6428   1.5744  596.162   42.701  576.012   53.165 20.15009 68.19009 
1 1 1    2   35    5 f  723.925   35.016   13.846   1.2596   14.557   1.6135   12.736   2.0157  749.327   41.882  698.524   56.127 50.80359 70.03119 
1 1 1    2   35    7 o  642.695   34.232   10.503   1.1036   9.7146   1.3934   11.829   1.8079  611.688   44.307  673.702   52.195 -62.01398 68.46463 
1 1 1    2   35    9 o  367.353   47.205   3.6791   0.8504   3.2724   1.3182   3.9691   1.1130  345.007   76.336  389.699   55.553 -44.69235 94.41022 
1 1 1    2   35   11 o  828.721   40.151   18.024   1.6442   17.837   2.7212   18.131   2.0634  823.185   64.297  834.256   48.108 -11.07025 80.30232 
1 1 1    2   35   13 o  1610.29   33.283   67.587   2.7551   67.144   3.9216   68.020   3.8714  1604.86   47.528  1615.72   46.605 -10.86243 66.56531 
1 1 1    2   35   15 o  1774.67   32.721   82.178   2.9841   79.761   4.2361   84.558   4.2044  1748.29   47.129  1801.06   45.405 -52.77307 65.44230 
1 1 1    2   35   17 o  1209.78   32.418   38.217   2.0161   37.511   2.8458   38.928   2.8567  1198.42   46.188  1221.14   45.502 -22.71436 64.83620 
1 1 1    2   35   19 o  1643.95   31.997   70.675   2.7032   68.166   3.8178   73.198   3.8280  1614.22   46.003  1673.69   44.486 -59.46741 63.99442 
1 1 1    2   35   21 o  1380.44   31.872   49.929   2.2609   48.135   3.1954   51.728   3.1995  1355.14   45.864  1405.74   44.269 -50.59839 63.74378 
1 1 1    2   35   23 o  1195.92   31.621   37.537   1.9442   37.325   2.7344   37.754   2.7648  1192.57   44.597  1199.28   44.842 -6.708618 63.24294 
1 1 1    2   35   25 o  160.895   41.739   0.5581   0.4416   0.6679   0.7180   0.4913   0.5601  171.636   62.609  150.154   55.216 21.48225 83.47888 
1 1 1    2   35   27 o  335.164   48.199   3.2300   0.7161   3.3537   0.8320   2.8766   1.4065  356.297   45.421  314.030   85.027 42.26770 96.39830 
1 1 1    2   35   29 o  212.997   38.128   1.2726   0.4262   1.5956   0.5934   0.9286   0.6125  240.648   49.612  185.345   57.911 55.30344 76.25630 
1 1 1    2   35   31 o  878.694   31.994   20.580   1.4395   22.619   2.0337   18.533   2.0378  923.939   42.812  833.450   47.556 90.48895 63.98791 
1 1 1    2   35   33 o  465.850   33.579   5.8621   0.7917   6.9924   1.1184   4.7269   1.1208  513.166   42.392  418.535   52.088 94.63123 67.15855 
1 1 1    2   35   35 o  571.589   33.124   8.8399   0.9597   10.470   1.3568   7.2078   1.3575  627.108   42.084  516.071   51.165 111.0370 66.24864 
1 1 1    2   35   37 o  881.547   31.808   20.888   1.4414   20.542   2.0163   21.249   2.0612  874.186   44.863  888.908   45.102 -14.72229 63.61528 
1 1 1    2   35   39 o  237.741   58.014   1.6363   0.7028   1.6363   0.7028   0.0000   0.0000  237.741   58.014  ?   ?       ?      ? 
1 1 1    2   35   41 o  483.438   39.708   6.1252   0.9499   8.4663   1.6369   4.9365   1.1664  546.688   58.239  420.188   53.992 126.5004 79.41579 
1 1 1    2   35   43 o  360.131   37.137   3.7272   0.6558   2.9551   0.9330   4.4813   0.9220  316.437   59.534  403.825   44.410 -87.38818 74.27335 
1 1 1    2   35   45 o  422.719   42.882   5.0635   0.8794   6.0236   1.5634   4.6191   1.0636  442.911   68.657  402.526   51.396 40.38477 85.76307 
1 1 1    2   36    0 o  1060.81   74.768   29.786   4.0313   29.786   4.0313   0.0000   0.0000  1060.81   74.768  1060.81   74.768 0.000000 0.000000 
1 1 1    2   36    2 o  2265.43   51.818  135.602   6.0196  122.666   8.3513  149.591   8.6844  2151.14   75.512  2379.72   70.981 -228.5811 103.6358 
1 1 1    2   36    4 o  1035.38   44.453   28.038   2.2799   28.648   3.7811   27.689   2.8579  1041.26   70.630  1029.49   53.996 11.76111 88.90531 
1 1 1    2   36    6 o  1170.12   44.327   36.306   2.5792   34.702   4.1637   37.306   3.2854  1145.43   70.703  1194.82   53.483 -49.39636 88.65327 
1 1 1    2   36    8 o  1513.60   39.565   60.413   2.7495   59.077   5.1968   60.933   3.2401  1495.43   67.592  1531.77   41.143 -36.33569 79.12955 
1 1 1    2   36   10 o  448.585   34.244   5.2921   0.7755   5.0110   1.1985   5.4947   1.0171  437.556   53.274  459.613   43.041 -22.05716 68.48886 
1 1 1    2   36   12 f  719.565   34.314   13.552   1.2627   15.274   1.7988   11.879   1.7731  765.369   45.713  673.761   51.186 91.60797 68.62719 
1 1 1    2   36   14 o  974.127   33.759   24.832   1.6859   27.165   2.3972   22.548   2.3713  1020.13   45.707  928.122   49.695 92.01117 67.51821 
1 1 1    2   36   16 o  636.960   33.459   10.624   1.0947   10.099   1.5480   11.150   1.5481  620.911   48.493  653.008   46.112 -32.09698 66.91725 
1 1 1    2   36   18 o  465.506   34.481   5.7508   0.8115   6.9009   1.1446   4.5884   1.1507  513.844   43.327  417.167   53.652 96.67755 68.96220 
1 1 1    2   36   20 o  684.122   32.587   12.288   1.1456   11.874   1.6218   12.701   1.6184  672.354   46.918  695.891   45.235 -23.53662 65.17313 
1 1 1    2   36   22 o  645.484   33.922   11.081   1.0993   14.049   1.5774   8.2784   1.5328  732.204   41.902  558.764   53.357 173.4402 67.84370 
1 1 1    2   36   24 o  574.214   49.082   9.1837   1.3931   8.0770   2.2113   9.9119   1.7939  539.728   79.691  608.700   57.321 -68.97186 98.16486 
1 1 1    2   36   26 o  173.601   46.042   0.6638   0.5421   0.7938   0.6533   0.3765   0.9711  176.643   60.121  170.559   69.748 6.083542 92.08300 
1 1 1    2   36   28 o  873.052   32.141   20.210   1.4420   19.402   2.0175   21.054   2.0619  854.956   45.899  891.148   45.005 -36.19202 64.28168 
1 1 1    2   36   30 o  134.215   35.555   0.3765   0.3322   0.3102   0.4871   0.4341   0.4541  130.693   50.701  137.736   49.859 -7.042953 71.10901 
1 1 1    2   36   32 o  606.751   32.299   9.8294   1.0075   9.6982   1.4201   9.9623   1.4296  602.597   45.836  610.905   45.518 -8.307190 64.59737 
1 1 1    2   36   34 o  448.852   33.360   5.4491   0.7617   6.2896   1.0738   4.5978   1.0807  485.572   43.012  412.132   51.005 73.44040 66.72027 
1 1 1    2   36   36 o  201.419   37.896   1.1501   0.4176   0.7043   0.5947   1.5835   0.5864  165.144   57.318  237.694   49.588 -72.55029 75.79168 
1 1 1    2   36   38 o  225.784   47.691   1.5063   0.5949   1.4500   0.8933   1.5512   0.7975  222.037   70.026  229.531   64.762 -7.493851 95.38216 
1 1 1    2   36   40 o  239.254   43.915   1.7094   0.5377   1.6242   0.8651   1.7630   0.6863  231.966   68.083  246.542   55.485 -14.57584 87.82938 
1 1 1    2   36   42 o  515.588   34.427   7.4050   0.9110   7.8608   1.2883   6.9491   1.2885  532.787   47.034  498.388   50.285 34.39899 68.85315 
1 1 1    2   36   44 o  161.311   37.344   0.7312   0.3640   0.9303   0.5167   0.5352   0.5128  177.894   52.729  144.728   52.894 33.16649 74.68718 
1 1 1    2   37    1 o  523.683   53.785   7.3041   1.4480   7.1795   2.0354   7.4316   2.0603  519.116   76.265  528.250   75.862 -9.133423 107.5702 
1 1 1    2   37    3 o  1122.95   44.931   33.643   2.4388   32.019   4.1793   34.482   3.0031  1097.11   74.093  1148.80   50.846 -51.68286 89.86145 
1 1 1    2   37    5 o  1065.86   42.084   30.389   2.0185   28.775   3.8995   30.979   2.3591  1040.19   72.917  1091.53   42.038 -51.34119 84.16727 
1 1 1    2   37    7 o  496.083   31.211   6.4232   0.7925   5.7031   1.1159   7.1559   1.1256  467.631   46.415  524.535   41.739 -56.90417 62.42176 
1 1 1    2   37    9 f  644.185   29.997   10.809   0.9928   10.627   1.4225   10.981   1.3863  638.724   43.319  649.646   41.506 -10.92242 59.99414 
1 1 1    2   37   11 o  1427.24   28.934   53.044   2.1222   51.641   3.0150   54.422   2.9877  1408.21   41.643  1446.27   40.181 -38.05652 57.86802 
1 1 1    2   37   13 o  1605.12   33.834   67.434   2.7916   69.302   3.9814   65.627   3.9153  1627.14   47.593  1583.10   48.104 44.03479 67.66882 
1 1 1    2   37   15 o  1699.95   33.471   75.872   2.9184   70.207   4.1386   81.477   4.1160  1635.39   49.222  1764.52   45.371 -129.1305 66.94273 
1 1 1    2   37   17 o  854.385   33.890   19.235   1.4757   22.403   2.1085   16.193   2.0660  924.880   44.342  783.891   51.262 140.9886 67.77933 
1 1 1    2   37   19 o  259.122   37.612   1.8180   0.4941   2.4925   0.7173   1.2091   0.6815  308.082   45.285  210.163   60.067 97.91873 75.22468 
1 1 1    2   37   21 o  554.937   45.058   7.8366   1.1493   9.3456   2.2640   7.3128   1.3340  583.917   75.415  525.958   49.331 57.95929 90.11653 
1 1 1    2   37   23 o  314.608   40.063   2.5535   0.6209   1.9776   0.7861   3.5086   1.0123  266.632   58.916  362.584   54.306 -95.95209 80.12643 
1 1 1    2   37   25 f  208.321   47.879   1.1995   0.6229   1.6014   0.7634   0.3989   1.0775  238.708   61.740  177.934   73.196 60.77412 95.75730 
1 1 1    2   37   27 o  634.288   32.799   10.711   1.0623   9.2054   1.4848   12.291   1.5206  587.233   49.180  681.343   43.409 -94.10986 65.59734 
1 1 1    2   37   29 o  337.487   36.781   3.1214   0.6179   3.4971   0.8636   2.7272   0.8845  362.135   46.382  312.840   57.098 49.29507 73.56280 
1 1 1    2   37   31 o  507.807   33.186   6.9010   0.8662   6.7467   1.2117   7.0623   1.2389  501.997   46.948  513.617   46.915 -11.61938 66.37103 
1 1 1    2   37   33 o  232.686   36.233   1.4414   0.4571   2.5098   0.6889   0.6008   0.6111  306.469   43.723  158.902   57.790 147.5676 72.46625 
1 1 1    2   37   35 o  275.988   38.266   2.1902   0.5276   1.3213   0.7464   3.0577   0.7458  214.235   63.345  337.742   42.950 -123.5067 76.53275 
1 1 1    2   37   37 o  545.921   47.924   8.4827   1.3332   10.180   1.9996   7.1239   1.7889  596.715   65.179  495.126   70.276 101.5893 95.84899 
1 1 1    2   37   39 o  240.889   44.621   1.6603   0.5618   2.2783   0.8777   1.2315   0.7311  276.976   63.051  204.801   63.156 72.17433 89.24134 
1 1 1    2   37   41 o  395.415   36.949   4.3927   0.7378   3.4266   1.0136   5.4814   1.0760  345.969   56.987  444.861   47.048 -98.89221 73.89898 
1 1 1    2   37   43 o  598.950   34.417   10.125   1.0587   9.7735   1.5101   10.464   1.4847  587.248   50.016  610.653   47.291 -23.40527 68.83318 
1 1 1    2   38    0 f  424.114   65.451   5.3542   1.2474   5.0509   1.7861   5.6430   1.7428  407.215   98.412  441.013   86.317 0.000000 0.000000 
1 1 1    2   38    2 o  1082.46   36.933   30.713   2.0553   30.891   2.8951   30.532   2.9182  1085.78   51.862  1079.15   52.598 6.622192 73.86616 
1 1 1    2   38    4 o  366.682   37.126   3.5699   0.6884   3.8353   0.9178   3.2286   1.0409  383.227   46.584  350.136   57.821 33.09106 74.25157 
1 1 1    2   38    6 o  1042.26   30.084   28.318   1.6114   27.637   2.2924   28.983   2.2655  1029.62   43.305  1054.90   41.772 -25.27795 60.16785 
1 1 1    2   38    8 o  617.622   30.580   9.9573   0.9703   9.5730   1.3787   10.334   1.3657  605.592   44.282  629.653   42.187 -24.06067 61.16062 
1 1 1    2   38   10 f  855.211   29.944   19.097   1.3151   18.112   1.8637   20.073   1.8559  832.879   43.524  877.543   41.136 -44.66388 59.88767 
1 1 1    2   38   12 o  1483.85   34.606   57.791   2.6395   59.443   3.7517   56.173   3.7141  1505.12   48.483  1462.58   49.392 42.54077 69.21156 
1 1 1    2   38   14 o  533.709   35.667   7.5082   0.9736   8.4831   1.3916   6.5735   1.3626  568.372   47.622  499.045   53.109 69.32693 71.33311 
1 1 1    2   38   16 o  394.004   35.536   4.1037   0.7168   4.5433   1.0157   3.6675   1.0116  415.602   47.535  372.407   52.836 43.19504 71.07144 
1 1 1    2   38   18 f  277.201   39.642   2.1045   0.5453   2.4036   0.7929   1.8361   0.7511  296.775   53.954  257.628   58.094 39.14655 79.28436 
1 1 1    2   38   20 o  545.752   48.503   7.8658   1.3206   9.0851   2.2019   7.1809   1.6504  575.143   74.466  516.361   62.170 58.78149 97.00645 
1 1 1    2   38   22 o  641.667   38.084   10.912   1.2230   10.617   1.5526   11.395   1.9853  632.932   47.712  650.403   59.372 -17.47015 76.16744 
1 1 1    2   38   24 f  420.852   51.232   4.6282   1.0477   3.2391   1.3134   7.0588   1.7373  334.248   77.874  507.455   66.590 -173.2065 102.4632 
1 1 1    2   38   26 o  817.759   33.354   17.865   1.3926   20.388   1.9823   15.408   1.9567  876.789   43.976  758.728   50.161 118.0612 66.70834 
1 1 1    2   38   28 o  868.370   33.089   20.154   1.4675   17.333   2.0468   23.138   2.1053  803.825   49.528  932.917   43.893 -129.0920 66.17849 
1 1 1    2   38   30 o  411.712   34.731   4.5539   0.7313   3.9647   1.0144   5.1915   1.0552  383.107   51.500  440.317   46.612 -57.20953 69.46173 
1 1 1    2   38   32 o  277.920   37.619   2.1632   0.5214   2.7399   0.7413   1.5987   0.7334  319.698   45.102  236.141   60.222 83.55701 75.23866 
1 1 1    2   38   34 o  404.770   35.204   4.4951   0.7240   5.1480   1.0118   3.8102   1.0363  437.190   45.017  372.350   54.136 64.83948 70.40755 
1 1 1    2   38   36 f  250.470   51.595   1.8969   0.7028   1.9376   1.0440   1.8632   0.9503  252.210   74.996  248.729   70.878 3.481155 103.1895 
1 1 1    2   38   38 o  263.857   51.786   2.2743   0.7792   2.9341   0.9979   1.2434   1.2474  314.644   63.872  213.070   81.531 101.5744 103.5714 
1 1 1    2   38   40 f  364.880   36.375   3.7397   0.6818   3.9403   0.9741   3.5471   0.9546  375.019   50.524  354.742   52.343 20.27637 72.74925 
1 1 1    2   38   42 o  265.225   40.201   2.0915   0.5319   1.7977   0.7269   2.4302   0.7804  243.573   58.730  286.877   54.912 -43.30368 80.40222 
1 1 1    2   39    1 o  1400.64   36.936   51.565   2.6589   53.072   3.7611   50.059   3.7594  1421.55   51.461  1379.72   52.997 41.83081 73.87135 
1 1 1    2   39    3 o  1115.09   37.093   32.693   2.1263   32.149   3.0062   33.238   3.0079  1105.60   52.887  1124.58   52.024 -18.98157 74.18557 
1 1 1    2   39    5 o  951.734   30.574   23.653   1.4960   23.723   2.1218   23.584   2.1095  953.108   43.301  950.360   43.174 2.747559 61.14722 
1 1 1    2   39    7 o  856.156   30.589   19.186   1.3432   17.764   1.9057   20.590   1.8936  824.016   44.984  888.297   41.463 -64.28131 61.17764 
1 1 1    2   39    9 o  823.702   30.190   17.747   1.2773   16.961   1.8138   18.521   1.7990  805.233   43.812  842.171   41.548 -36.93744 60.38007 
1 1 1    2   39   11 o  1063.03   29.679   29.546   1.6219   29.399   2.3027   29.691   2.2849  1060.29   42.243  1065.77   41.699 -5.482178 59.35730 
1 1 1    2   39   13 o  1241.33   34.794   40.603   2.2153   44.290   3.1665   37.067   3.1004  1297.59   47.464  1185.07   50.887 112.5249 69.58735 
1 1 1    2   39   15 o  950.023   34.221   23.806   1.6706   24.805   2.3733   22.824   2.3520  970.186   47.581  929.861   49.198 40.32526 68.44297 
1 1 1    2   39   17 o  700.114   45.448   12.963   1.4810   13.862   2.7881   12.610   1.7480  709.836   76.398  690.391   49.248 19.44568 90.89565 
1 1 1    2   39   19 o  432.432   53.084   5.3090   1.1031   4.9170   1.7951   5.5468   1.3983  410.888   87.649  453.976   59.910 -43.08817 106.1674 
1 1 1    2   39   21 f  388.368   35.385   4.0528   0.6978   3.3867   0.9962   4.6942   0.9776  355.500   54.504  421.236   45.142 -65.73660 70.77051 
1 1 1    2   39   23 o  605.212   49.779   9.8428   1.5161   8.7523   1.9203   11.648   2.4704  564.570   66.158  645.855   74.397 -81.28558 99.55791 
1 1 1    2   39   25 o  750.187   33.474   15.015   1.2909   15.266   1.8280   14.765   1.8233  756.643   46.992  743.730   47.685 12.91248 66.94819 
1 1 1    2   39   27 o  566.631   34.809   8.6510   1.0059   9.9013   1.4264   7.4141   1.4187  609.254   45.538  524.009   52.660 85.24481 69.61846 
1 1 1    2   39   29 o  206.520   38.362   1.1811   0.4346   1.7293   0.6256   0.6701   0.6040  249.208   50.559  163.831   57.708 85.37686 76.72318 
1 1 1    2   39   31 o  366.611   38.486   3.7688   0.6905   2.9451   0.9861   4.5611   0.9672  321.135   61.973  412.086   45.652 -90.95087 76.97246 
1 1 1    2   39   33 o  560.583   34.605   8.6043   0.9877   9.7198   1.3802   7.4331   1.4142  600.639   44.695  520.527   52.843 80.11224 69.20998 
1 1 1    2   39   35 o  183.868   46.033   0.8535   0.5396   1.2013   0.8543   0.6225   0.6961  204.920   68.752  162.816   61.233 42.10378 92.06699 
1 1 1    2   39   37 o  307.959   48.941   3.0787   0.9265   5.2231   1.2461   0.4279   1.3854  430.080   56.356  185.837   80.030 244.2431 97.88190 
1 1 1    2   39   39 o  403.459   36.106   4.5767   0.7479   4.8078   1.0534   4.3418   1.0619  414.842   49.390  392.076   52.681 22.76666 72.21222 
1 1 1    2   39   41 o  255.626   39.534   1.9528   0.5054   1.8055   0.7149   2.1000   0.7147  244.575   57.776  266.676   53.978 -22.10098 79.06754 
1 1 1    2   40    0 o  1040.41   53.537   28.993   2.8276   29.992   4.0107   28.005   3.9870  1059.17   74.498  1021.65   76.909 0.000000 0.000000 
1 1 1    2   40    2 o  1598.86   36.940   67.389   3.0355   69.660   4.3144   65.162   4.2717  1626.02   51.609  1571.70   52.864 54.31897 73.87946 
1 1 1    2   40    4 o  871.773   37.915   20.214   1.6731   24.446   2.3840   16.108   2.3486  964.612   48.071  778.934   58.647 185.6781 75.83085 
1 1 1    2   40    6 o  995.466   30.801   25.937   1.5740   27.900   2.2523   24.062   2.2005  1032.75   42.419  958.185   44.669 74.56189 61.60119 
1 1 1    2   40    8 o  1068.81   30.565   29.941   1.6721   33.647   2.3938   26.412   2.3365  1134.40   41.045  1003.22   45.300 131.1767 61.12930 
1 1 1    2   40   10 f  718.867   30.723   13.597   1.1305   12.246   1.6074   14.920   1.5903  682.624   45.799  755.110   40.963 -72.48560 61.44564 
1 1 1    2   40   12 o  1119.85   29.902   32.885   1.7214   33.048   2.4510   32.726   2.4183  1122.50   42.471  1117.20   42.102 5.296753 59.80317 
1 1 1    2   40   14 o  635.000   35.602   10.684   1.1620   10.497   1.6523   10.867   1.6344  629.227   51.075  640.774   49.613 -11.54797 71.20414 
1 1 1    2   40   16 o  265.740   47.400   2.2654   0.7171   0.4269   1.3432   2.9982   0.8480  195.144   81.130  336.336   49.040 -141.1922 94.80001 
1 1 1    2   40   18 o  217.791   50.049   1.3153   0.6452   0.8499   1.1202   1.5463   0.7892  200.888   77.170  234.695   63.753 -33.80682 100.0976 
1 1 1    2   40   20 o  544.217   46.962   8.1239   1.1815   8.1373   1.3999   8.0907   2.2028  552.619   49.271  535.816   79.963 16.80298 93.92415 
1 1 1    2   40   22 o  486.631   39.564   6.1260   0.9665   7.7549   1.5910   5.1734   1.2166  534.905   57.853  438.357   53.984 96.54816 79.12809 
1 1 1    2   40   24 o  395.592   35.952   4.2065   0.7305   4.0111   1.0338   4.4013   1.0325  385.987   52.094  405.197   49.562 -19.21011 71.90395 
1 1 1    2   40   26 o  477.377   35.789   6.1472   0.8721   7.0674   1.2478   5.2686   1.2192  513.762   47.240  440.991   53.776 72.77069 71.57892 
1 1 1    2   40   28 o  728.771   34.823   14.461   1.2719   18.289   1.8185   10.795   1.7797  828.406   42.697  629.136   55.022 199.2696 69.64545 
1 1 1    2   40   30 o  285.994   38.786   2.2714   0.5560   2.8037   0.8109   1.7991   0.7638  321.823   49.008  250.165   60.130 71.65805 77.57194 
1 1 1    2   40   32 o  163.076   37.482   0.7215   0.3593   0.7541   0.4802   0.6800   0.5417  165.374   51.213  160.777   54.743 4.596893 74.96384 
1 1 1    2   40   34 o  201.942   45.862   0.8672   0.5508   2.0759   0.9817   0.3119   0.6654  261.540   71.126  142.345   57.916 119.1948 91.72350 
1 1 1    2   40   36 o  471.190   56.943   7.2232   1.2659   8.4905   1.6488   5.4037   1.9756  545.740   58.763  396.639   97.556 149.1010 113.8869 
1 1 1    2   40   38 o  437.591   35.966   5.3824   0.8085   5.6442   1.1480   5.1248   1.1388  448.969   49.733  426.212   51.968 22.75711 71.93124 
1 1 1    2   40   40 o  357.459   38.659   3.7537   0.6759   2.8902   0.9503   4.6375   0.9615  307.753   62.199  407.166   45.929 -99.41309 77.31876 
1 1 1    2   41    1 o  1042.30   37.288   28.755   1.9977   29.371   2.8202   28.135   2.8302  1053.89   52.049  1030.70   53.409 23.18311 74.57597 
1 1 1    2   41    3 o  285.670   42.189   2.2548   0.6107   2.8115   0.8539   1.6719   0.8738  326.216   50.912  245.124   67.287 81.09184 84.37770 
1 1 1    2   41    5 o  1404.35   33.766   51.765   2.4028   50.820   3.1314   53.119   3.7469  1391.54   43.769  1417.16   51.427 -25.61169 67.53135 
1 1 1    2   41    7 o  473.912   32.243   5.9115   0.7849   5.8306   1.1286   5.9872   1.0924  470.518   46.656  477.306   44.514 -6.788086 64.48510 
1 1 1    2   41    9 o  1116.80   30.309   32.762   1.7397   31.976   2.4682   33.539   2.4525  1103.11   43.519  1130.49   42.197 -27.37085 60.61766 
1 1 1    2   41   11 o  1079.12   30.240   30.633   1.6759   29.031   2.3727   32.227   2.3673  1050.30   43.940  1107.94   41.560 -57.64636 60.48096 
1 1 1    2   41   13 o  1079.77   36.221   31.971   1.8906   27.772   3.1463   34.344   2.3652  1015.67   60.252  1143.88   40.218 -128.2098 72.44165 
1 1 1    2   41   15 o  1096.48   50.349   32.642   2.7606   34.995   4.5106   31.232   3.4907  1120.10   78.327  1072.87   63.285 47.23108 100.6979 
1 1 1    2   41   17 o  115.354   33.478   0.1266   0.3208   0.2334   0.4357   0.0000   0.4742  120.894   47.642  109.814   47.046 11.08066 66.95531 
1 1 1    2   41   19 o  380.174   53.720   4.0423   0.9850   3.6722   1.2337   4.6928   1.6357  359.616   69.241  400.731   82.153 -41.11517 107.4404 
1 1 1    2   41   21 o  811.824   38.859   17.479   1.5788   19.255   2.5902   16.429   1.9915  840.272   59.959  783.376   49.448 56.89606 77.71840 
1 1 1    2   41   23 o  263.082   39.558   1.9536   0.5367   2.7847   0.7630   1.1396   0.7550  323.047   45.937  203.118   64.413 119.9293 79.11599 
1 1 1    2   41   25 o  429.398   35.716   4.9987   0.7823   4.3550   1.1142   5.6247   1.0987  400.498   54.111  458.298   46.631 -57.80075 71.43111 
1 1 1    2   41   27 o  659.736   34.515   11.747   1.1676   10.718   1.6388   12.809   1.6640  629.160   50.664  690.312   46.886 -61.15179 69.02988 
1 1 1    2   41   29 o  198.149   38.403   1.1176   0.4540   1.7438   0.6113   0.3474   0.6779  249.829   49.340  146.469   58.861 103.3594 76.80511 
1 1 1    2   41   31 o  396.916   38.983   4.5229   0.7307   6.1246   1.0352   2.9322   1.0316  477.444   42.173  316.388   65.575 161.0563 77.96527 
1 1 1    2   41   33 o  239.868   44.866   1.7290   0.5534   1.8256   0.6944   1.5609   0.9161  251.644   55.189  228.092   70.753 23.55234 89.73159 
1 1 1    2   41   35 o  277.203   57.598   2.4988   0.8745   2.6152   1.1515   2.3402   1.3442  287.525   76.542  266.882   86.088 20.64206 115.1951 
1 1 1    2   41   37 o  313.454   39.920   2.8663   0.6244   2.4352   0.8821   3.2994   0.8840  284.151   62.112  342.756   50.167 -58.60522 79.84099 
1 1 1    2   41   39 f  232.284   42.854   1.6524   0.5196   1.9051   0.7522   1.4218   0.7185  249.991   59.403  214.578   61.784 35.41289 85.70845 
1 1 1    2   42    0 o  103.570   44.598   0.2551   0.4515   0.0000   0.7449   0.4032   0.5676   97.637   63.155  109.503   62.986 -0.000000 0.000000 
1 1 1    2   42    2 o  630.810   38.149   10.585   1.2369   10.687   1.7713   10.487   1.7281  633.620   54.375  628.001   53.522 5.619507 76.29719 
1 1 1    2   42    4 o  706.269   37.910   13.276   1.3761   13.071   1.9615   13.475   1.9310  700.501   54.463  712.037   52.747 -11.53589 75.81906 
1 1 1    2   42    6 o  911.261   36.645   22.608   1.6404   19.949   2.6534   24.253   2.0871  861.845   59.882  960.678   42.257 -98.83350 73.29091 
1 1 1    2   42    8 o  498.591   31.881   6.5734   0.8112   5.6109   1.1358   7.5753   1.1588  460.405   47.984  536.778   41.991 -76.37329 63.76253 
1 1 1    2   42   10 o  497.826   36.504   6.4545   0.8963   7.1138   1.5256   6.1070   1.1076  514.684   57.653  480.968   44.791 33.71564 73.00728 
1 1 1    2   42   12 o  866.833   38.654   20.263   1.7015   19.122   2.5689   21.154   2.2711  841.815   59.357  891.851   49.530 -50.03644 77.30734 
1 1 1    2   42   14 o  637.669   38.476   10.607   1.1741   10.097   1.4083   11.770   2.1262  617.750   44.343  657.588   62.890 -39.83826 76.95107 
1 1 1    2   42   16 o  245.445   49.993   1.8214   0.6864   2.2174   0.8303   0.9668   1.2197  281.327   59.276  209.562   80.519 71.76431 99.98501 
1 1 1    2   42   18 o  493.525   61.965   7.7261   1.4038   9.0886   1.7586   5.3332   2.3306  577.969   59.181  409.082  108.887 168.8873 123.9305 
1 1 1    2   42   20 o  763.963   34.958   15.649   1.3729   15.624   1.9276   15.675   1.9558  763.557   49.104  764.369   49.769 -0.8121948 69.91523 
1 1 1    2   42   22 o  617.165   35.103   10.252   1.1049   11.911   1.5862   8.6879   1.5400  667.543   46.217  566.786   52.848 100.7573 70.20625 
1 1 1    2   42   24 o  207.695   41.510   1.2044   0.4678   1.4912   0.6835   0.9517   0.6417  229.036   57.988  186.354   59.411 42.68213 83.02026 
1 1 1    2   42   26 o  422.154   41.579   5.0839   0.8044   7.7742   1.1785   2.7374   1.1007  539.557   42.485  304.750   71.485 234.8068 83.15735 
1 1 1    2   42   28 o  424.546   36.756   4.9442   0.7970   5.5696   1.1288   4.3225   1.1255  453.077   48.459  396.016   55.278 57.06085 73.51192 
1 1 1    2   42   30 o  449.670   45.892   5.3800   0.9807   6.8749   1.8412   4.7879   1.1588  483.504   74.069  415.836   54.203 67.66885 91.78345 
1 1 1    2   42   32 o  697.019   39.742   13.496   1.3927   12.929   1.7794   14.392   2.2377  683.951   50.602  710.087   61.295 -26.13599 79.48351 
1 1 1    2   42   34 o  448.546   61.373   7.0589   1.3257   8.8508   1.7138   4.3898   2.0917  554.584   60.108  342.508  107.021 212.0760 122.7457 
1 1 1    2   42   36 o  559.405   36.079   8.8433   1.0295   7.5936   1.4415   10.144   1.4709  515.604   54.379  603.206   47.430 -87.60181 72.15749 
1 1 1    2   42   38 o  589.386   36.424   9.9684   1.0981   11.082   1.5601   8.8747   1.5459  625.508   48.511  553.265   54.347 72.24359 72.84877 
1 1 1    2   43    1 o  675.733   38.397   12.208   1.3332   12.657   1.8840   11.758   1.8869  688.692   53.209  662.774   55.374 25.91858 76.79482 
1 1 1    2   43    3 o  610.630   39.195   9.9877   1.2278   10.828   1.7500   9.1729   1.7229  636.799   53.453  584.461   57.338 52.33752 78.38918 
1 1 1    2   43    5 o  396.553   54.338   4.6767   0.9982   3.7974   1.7542   5.0977   1.2138  356.519   94.267  436.587   54.077 -80.06754 108.6759 
1 1 1    2   43    7 o  1312.82   35.457   45.717   2.3158   46.553   3.7942   45.220   2.9236  1316.72   56.048  1308.92   43.444 7.795532 70.91345 
1 1 1    2   43    9 o  411.751   46.458   4.9963   0.8952   3.0978   1.3308   6.5651   1.2097  326.233   79.965  497.269   47.318 -171.0365 92.91656 
1 1 1    2   43   11 o  298.521   47.800   2.3706   0.7336   2.3706   0.7336   0.0000   0.0000  298.521   47.800  ?   ?       ?      ? 
1 1 1    2   43   13 o  530.828   33.788   7.4696   0.9091   7.2890   1.1846   7.7284   1.4180  524.500   43.931  537.156   51.347 -12.65588 67.57527 
1 1 1    2   43   15 o  171.660   42.595   0.3503   0.4376   0.0000   0.4994   1.5089   0.9083  112.340   48.208  230.981   70.239 -118.6403 85.19096 
1 1 1    2   43   17 o  1180.87   40.125   37.834   2.3607   37.968   3.8338   37.753   2.9960  1174.63   63.484  1187.11   49.089 -12.47791 80.24915 
1 1 1    2   43   19 o  487.033   36.284   6.3943   0.9079   6.6592   1.2848   6.1301   1.2832  497.585   50.223  476.481   52.380 21.10333 72.56707 
1 1 1    2   43   21 o  1148.97   34.405   35.494   2.0322   35.124   2.8796   35.861   2.8685  1142.63   49.018  1155.31   48.293 -12.68286 68.81096 
1 1 1    2   43   23 o  750.311   34.873   15.200   1.3452   15.351   1.9065   15.050   1.8984  754.130   49.172  746.492   49.464 7.637573 69.74654 
1 1 1    2   43   25 o  639.252   34.899   11.075   1.1439   12.139   1.6380   10.061   1.5982  670.438   47.522  608.065   51.122 62.37347 69.79851 
1 1 1    2   43   27 o  215.858   38.994   1.3382   0.4489   1.7874   0.6335   0.8855   0.6361  252.002   50.656  179.714   59.296 72.28844 77.98811 
1 1 1    2   43   29 o  435.559   51.207   5.3344   0.9947   6.3003   1.9389   4.9894   1.1588  446.545   87.581  424.572   53.087 21.97287 102.4144 
1 1 1    2   43   31 o  299.529   45.773   2.7323   0.6858   3.0934   0.8882   2.1991   1.0792  333.591   51.788  265.467   75.489 68.12375 91.54552 
1 1 1    2   43   33 o  220.375   52.158   1.3498   0.6718   0.9881   0.8250   2.0613   1.1572  187.883   67.306  252.867   79.699 -64.98375 104.3168 
1 1 1    2   43   35 o  442.237   37.520   5.5765   0.8517   5.9273   1.2073   5.2290   1.2016  457.481   51.330  426.993   54.737 30.48755 75.03912 
1 1 1    2   43   37 o  136.523   36.726   0.4386   0.3572   0.3921   0.5088   0.4837   0.5015  133.397   51.798  139.649   52.078 -6.251297 73.45150 
1 1 1    2   44    0 o  539.474   88.808   8.4360   2.2625   8.4360   2.2625   0.0000   0.0000  539.474   88.808  539.474   88.808 -0.000000 0.000000 
1 1 1    2   44    2 o  623.593   56.555   10.972   1.7955   12.799   2.5712   9.2328   2.5085  678.482   73.711  568.705   85.793 109.7772 113.1092 
1 1 1    2   44    4 o  577.926   59.669   9.7161   1.6949   8.1388   2.4715   11.116   2.3287  522.390   95.544  633.462   71.504 -111.0720 119.3380 
1 1 1    2   44    6 o  512.274   52.329   7.7188   1.2601   8.9340   1.6351   5.9413   1.9776  576.097   55.205  448.451   88.913 127.6455 104.6575 
1 1 1    2   44    8 o  419.561   40.600   4.4351   0.8122   3.9415   0.9607   5.6715   1.5205  384.430   48.609  454.692   65.043 -70.26202 81.20038 
1 1 1    2   44   10 o  856.158   35.723   20.312   1.5116   23.715   2.0098   15.879   2.2939  947.379   41.262  764.936   58.327 182.4425 71.44677 
1 1 1    2   44   12 o  528.747   41.105   8.0190   1.0308   9.0464   1.2946   6.2396   1.7037  584.094   43.109  473.401   70.000 110.6922 82.20927 
1 1 1    2   44   14 o  685.405   39.218   12.563   1.3715   11.399   1.8087   14.138   2.1038  649.344   54.177  721.466   56.718 -72.12177 78.43549 
1 1 1    2   44   16 o  269.429   46.144   2.1610   0.6385   1.5746   0.9941   2.5729   0.8332  234.917   73.841  303.940   55.357 -69.02287 92.28709 
1 1 1    2   44   18 o  655.744   35.138   11.576   1.1846   11.479   1.6712   11.675   1.6794  652.916   49.786  658.571   49.599 -5.655212 70.27624 
1 1 1    2   44   20 o  813.907   35.631   17.928   1.4885   18.932   2.0949   16.904   2.1153  838.344   48.605  789.470   52.115 48.87341 71.26298 
1 1 1    2   44   22 f  599.478   36.629   9.7770   1.1225   8.5078   1.5649   11.122   1.6110  557.570   54.590  641.387   48.854 -83.81763 73.25834 
1 1 1    2   44   24 o  273.106   42.515   2.1463   0.5807   2.0951   0.8135   2.1995   0.8293  269.686   60.196  276.526   60.053 -6.839294 85.02940 
1 1 1    2   44   26 o  684.206   35.482   12.827   1.2421   14.358   1.7716   11.346   1.7419  726.652   47.421  641.759   52.794 84.89270 70.96449 
1 1 1    2   44   28 o  307.753   56.458   2.8673   0.8816   3.5270   1.4391   2.4711   1.1154  332.680   84.097  282.825   75.351 49.85477 112.9163 
1 1 1    2   44   30 o  741.155   35.612   15.264   1.3549   16.048   1.9070   14.465   1.9254  762.211   48.664  720.099   52.006 42.11188 71.22359 
1 1 1    2   44   32 o  601.293   43.712   10.732   1.2954   9.6000   2.0628   11.470   1.6646  562.832   71.285  639.754   50.609 -76.92175 87.42326 
1 1 1    2   44   34 o  145.741   35.468   0.4964   0.3627   0.0000   0.5269   0.9432   0.4999  112.002   48.789  179.480   51.494 -67.47865 70.93642 
1 1 1    2   44   36 f  388.869   38.288   4.4167   0.7628   4.6798   1.0638   4.1381   1.0945  403.153   51.322  374.584   56.834 28.56830 76.57663 
1 1 1    2   45    1 o  424.511   40.257   4.8668   0.8767   5.3374   1.2718   4.4407   1.2101  444.491   55.652  404.531   58.185 39.96039 80.51484 
1 1 1    2   45    3 o  440.881   40.528   5.2676   0.9109   6.1668   1.3135   4.4345   1.2643  478.643   53.374  403.118   61.001 75.52435 81.05534 
1 1 1    2   45    5 o  193.904   42.107   1.0358   0.4668   0.8135   0.6849   1.2286   0.6379  178.388   61.532  209.421   57.497 -31.03253 84.21423 
1 1 1    2   45    7 o  288.995   38.250   2.3160   0.5471   2.3304   0.7894   2.3027   0.7588  289.530   55.047  288.459   53.122 1.070526 76.49915 
1 1 1    2   45    9 o  199.102   38.742   1.1159   0.4915   1.8621   0.6350   0.0000   0.7765  259.845   49.336  138.360   59.748 121.4855 77.48418 
1 1 1    2   45   11 o  768.061   40.045   16.183   1.5611   17.294   2.1012   14.814   2.3323  801.731   50.976  734.391   61.772 67.34021 80.08939 
1 1 1    2   45   13 o  365.341   42.411   3.1088   0.7189   5.7453   1.3703   2.1074   0.8445  458.631   58.113  272.050   61.786 186.5812 84.82166 
1 1 1    2   45   15 f  239.380   39.318   1.6661   0.4958   1.0149   0.7508   2.1699   0.6603  193.737   64.446  285.023   45.058 -91.28586 78.63557 
1 1 1    2   45   17 o  584.890   36.298   9.2855   1.0881   8.6715   1.5600   9.8672   1.5185  564.593   53.742  605.187   48.805 -40.59381 72.59543 
1 1 1    2   45   19 o  924.609   35.241   23.134   1.6747   23.928   2.3876   22.366   2.3497  940.653   49.370  908.565   50.301 32.08710 70.48130 
1 1 1    2   45   21 o  355.531   43.193   3.6857   0.7344   1.7853   1.0089   5.8277   1.0711  245.454   73.893  465.608   44.746 -220.1540 86.38508 
1 1 1    2   45   23 o  496.929   36.795   6.8179   0.9320   6.0178   1.3420   7.5634   1.2954  466.103   56.001  527.755   47.744 -61.65167 73.59074 
1 1 1    2   45   25 o  514.244   36.873   7.2873   0.9740   7.7335   1.4026   6.8718   1.3535  529.868   51.487  498.620   52.798 31.24881 73.74641 
1 1 1    2   45   27 o  658.849   55.346   13.300   1.7871   12.544   2.9178   13.753   2.2608  626.529   90.582  691.170   63.622 -64.64087 110.6924 
1 1 1    2   45   29 o  1130.97   49.754   37.485   2.5342   36.743   2.9565   39.540   4.9202  1149.32   50.033  1112.62   86.014 36.70068 99.50729 
1 1 1    2   45   31 o  257.341   48.817   1.9963   0.6332   2.3392   1.0910   1.8221   0.7776  269.408   75.656  245.274   61.714 24.13318 97.63370 
1 1 1    2   45   33 o  279.383   42.052   2.3373   0.6084   3.4262   0.8927   1.3928   0.8315  347.622   49.952  211.143   67.664 136.4800 84.10429 
1 1 1    2   46    0 o  873.265   57.338   21.233   2.5139   19.451   3.5475   23.032   3.5628  832.428   84.916  914.103   77.071 0.000000 0.000000 
1 1 1    2   46    2 o  154.017   39.812   0.5379   0.4141   0.4063   0.5873   0.6680   0.5840  144.800   55.810  163.234   56.791 -18.43466 79.62357 
1 1 1    2   46    4 o  298.759   51.415   2.8741   0.8042   3.5032   0.9645   1.4390   1.4567  360.489   52.041  237.029   88.689 123.4600 102.8296 
1 1 1    2   46    6 o  858.797   49.782   20.234   2.0293   19.536   2.4302   21.842   3.6881  848.114   55.735  869.480   82.503 -21.36603 99.56439 
1 1 1    2   46    8 f  467.391   50.990   6.3062   1.1500   5.7815   1.8297   6.6488   1.4786  441.514   83.670  493.269   58.303 -51.75479 101.9798 
1 1 1    2   46   10 o  482.336   41.606   6.1272   0.9483   7.0245   1.7656   5.7633   1.1242  500.863   68.566  463.810   47.147 37.05338 83.21136 
1 1 1    2   46   12 o  207.768   41.755   1.2334   0.4684   1.0534   0.7239   1.3630   0.6144  195.736   63.178  219.799   54.613 -24.06256 83.51088 
1 1 1    2   46   14 f  587.027   34.953   9.3206   1.0359   9.1738   1.6151   9.4232   1.3502  580.317   54.133  593.736   44.230 -13.41907 69.90516 
1 1 1    2   46   16 o  443.118   32.676   5.2832   0.7413   4.7036   1.0398   5.8820   1.0570  417.420   48.454  468.816   43.852 -51.39679 65.35107 
1 1 1    2   46   18 o  147.562   35.341   0.5185   0.3575   0.0000   0.5560   0.8841   0.4668  117.345   50.615  177.779   49.336 -60.43389 70.68240 
1 1 1    2   46   20 o  632.682   36.457   10.945   1.1854   10.541   1.6543   11.372   1.6995  620.451   51.859  644.913   51.256 -24.46173 72.91440 
1 1 1    2   46   22 f  637.661   36.916   11.206   1.2090   10.900   1.7321   11.498   1.6883  627.956   53.649  647.366   50.725 -19.40973 73.83270 
1 1 1    2   46   24 o  566.212   56.338   9.9186   1.3510   9.2243   2.6202   10.170   1.5768  525.056  100.729  607.367   50.494 -82.31152 112.6763 
1 1 1    2   46   26 o  440.384   61.940   6.7942   1.3095   4.3769   2.1407   8.2396   1.6553  343.840  108.401  536.929   59.964 -193.0888 123.8807 
1 1 1    2   46   28 o  251.753   52.691   2.1703   0.7449   2.4940   0.8546   1.1471   1.5195  290.608   59.210  212.899   87.175 77.70908 105.3812 
1 1 1    2   46   30 o  304.267   47.624   2.8319   0.7134   3.0413   1.1338   2.6946   0.9179  309.638   72.498  298.896   61.776 10.74179 95.24802 
1 1 1    2   46   32 o  444.975   39.065   5.7270   0.8825   6.9461   1.2915   4.6593   1.2087  493.065   50.949  396.886   59.233 96.17886 78.13074 
1 1 1    2   47    1 f  212.726   53.722   1.1923   0.7472   1.3778   0.9858   0.9419   1.1454  222.181   73.846  203.271   78.045 18.91026 107.4442 
1 1 1    2   47    3 o  163.993   46.329   0.4599   0.5832   0.4409   0.7604   0.4871   0.9087  158.232   62.754  169.753   68.173 -11.52109 92.65886 
1 1 1    2   47    5 o  618.269   58.161   10.996   1.8350   9.3770   2.4694   12.992   2.7421  565.630   84.917  670.908   79.497 -105.2780 116.3212 
1 1 1    2   47    7 o  265.985   47.833   1.7516   0.6483   3.2321   1.1528   1.0669   0.7840  334.070   69.390  197.899   65.857 136.1718 95.66644 
1 1 1    2   47    9 o  237.621   40.069   1.4609   0.4902   2.4442   0.8019   0.8745   0.6193  295.526   54.799  179.715   58.474 115.8110 80.13782 
1 1 1    2   47   11 o  521.540   33.271   7.2995   0.8857   8.5230   1.2860   6.1955   1.2216  564.328   44.324  478.751   49.632 85.57758 66.54295 
1 1 1    2   47   13 o  672.265   32.152   12.164   1.1083   11.282   1.5762   13.026   1.5588  646.861   47.395  697.668   43.458 -50.80750 64.30345 
1 1 1    2   47   15 o  375.839   33.429   3.8209   0.6440   4.1671   0.9140   3.4796   0.9075  393.562   45.172  358.116   49.290 35.44638 66.85857 
1 1 1    2   47   17 o  581.737   31.826   9.1357   0.9506   8.7739   1.3585   9.4829   1.3308  569.593   46.389  593.881   43.585 -24.28833 63.65247 
1 1 1    2   47   19 o  195.830   40.695   1.0615   0.4707   0.5094   0.6647   1.6168   0.6667  154.432   59.415  237.227   55.625 -82.79533 81.38951 
1 1 1    2   47   21 o  197.924   38.304   1.1383   0.4709   1.8457   0.6213   0.1835   0.7218  256.004   48.989  139.845   58.897 116.1586 76.60768 
1 1 1    2   47   23 o  714.533   58.386   16.413   1.7777   13.992   3.4520   17.286   2.0739  639.409  105.007  789.657   51.082 -150.2484 116.7727 
1 1 1    2   47   25 o  261.296   45.581   1.9526   0.6426   1.0399   0.8441   3.2103   0.9909  192.051   68.159  330.542   60.539 -138.4917 91.16296 
1 1 1    2   47   27 o  337.649   58.240   4.1069   1.0712   5.0556   1.3313   2.3644   1.8043  415.362   62.341  259.935   98.393 155.4273 116.4799 
1 1 1    2   47   29 o  561.823   37.446   9.0434   1.0737   7.8663   1.5119   10.241   1.5251  520.986   56.444  602.661   49.222 -81.67426 74.89181 
1 1 1    2   47   31 o  373.651   38.794   4.0801   0.7434   3.8413   1.0609   4.3105   1.0420  360.987   57.161  386.315   52.465 -25.32828 77.58792 
1 1 1    2   48    0 o  415.616   73.388   5.5852   1.3545   5.2590   1.9676   5.8790   1.8674  395.338  111.779  435.894   95.126 0.000000 0.000000 
1 1 1    2   48    2 o  585.492   40.335   9.4090   1.2141   9.4115   1.7249   9.4066   1.7091  585.390   57.314  585.593   56.769 -0.2033081 80.66937 
1 1 1    2   48    4 o  399.467   43.942   4.4898   0.8699   5.3456   1.2487   3.6828   1.2126  442.214   54.923  356.721   68.607 85.49313 87.88327 
1 1 1    2   48    6 o  286.868   44.602   2.3863   0.6414   2.7353   0.8939   2.0158   0.9210  311.131   58.017  262.606   67.760 48.52527 89.20409 
1 1 1    2   48    8 o  471.847   34.104   6.0445   0.8140   7.3571   1.1657   4.7951   1.1373  524.365   43.239  419.328   52.751 105.0365 68.20800 
1 1 1    2   48   10 o  652.343   32.818   11.472   1.1004   11.192   1.5567   11.753   1.5557  643.968   47.019  660.718   45.798 -16.74994 65.63658 
1 1 1    2   48   12 o  443.865   33.952   5.3630   0.7624   4.2551   1.0643   6.5307   1.0926  394.312   52.497  493.418   43.071 -99.10626 67.90488 
1 1 1    2   48   14 o  458.086   33.562   5.7114   0.7862   6.3341   1.1089   5.0820   1.1148  484.736   44.495  431.436   50.257 53.30008 67.12302 
1 1 1    2   48   16 o  266.925   38.944   2.0404   0.5168   1.7943   0.7324   2.2846   0.7294  249.046   58.237  284.804   51.720 -35.75801 77.88779 
1 1 1    2   48   18 o  330.649   39.334   3.0480   0.6377   2.1749   0.8551   4.1416   0.9571  272.009   62.466  389.290   47.818 -117.2816 78.66762 
1 1 1    2   48   20 o  280.201   43.657   2.3126   0.6123   2.1477   0.8586   2.4833   0.8734  269.017   63.160  291.385   60.288 -22.36829 87.31472 
1 1 1    2   48   22 o  402.823   60.407   5.1902   1.1891   5.2493   1.9822   5.1570   1.4862  388.560   98.955  417.086   69.310 -28.52655 120.8138 
1 1 1    2   48   24 o  406.284   38.880   4.6917   0.8112   4.5087   1.1562   4.8690   1.1383  397.328   56.599  415.240   53.320 -17.91180 77.75912 
1 1 1    2   48   26 o  209.542   52.950   1.3260   0.6871   1.3676   0.8076   1.2170   1.3071  211.062   66.587  208.021   82.348 3.041138 105.9004 
1 1 1    2   48   28 o  271.169   43.786   2.2649   0.5994   2.5854   0.8484   1.9455   0.8469  293.345   58.308  248.993   65.339 44.35182 87.57296 
1 1 1    2   49    1 o  390.304   43.300   4.2504   0.8686   4.2948   1.2451   4.2082   1.2124  392.018   61.777  388.590   60.688 3.427551 86.59946 
1 1 1    2   49    3 o  616.746   41.300   10.614   1.2831   13.075   1.8329   8.2488   1.7968  692.388   51.490  541.103   64.588 151.2849 82.59983 
1 1 1    2   49    5 o  371.925   44.959   3.9173   0.8330   3.2382   1.1405   4.6935   1.2194  332.198   69.032  411.653   57.617 -79.45572 89.91741 
1 1 1    2   49    7 o  584.227   40.406   9.4749   1.2094   8.6458   1.7135   10.298   1.7072  556.641   59.874  611.813   54.273 -55.17230 80.81168 
1 1 1    2   49    9 o  632.889   32.784   10.837   1.0665   10.975   1.5292   10.706   1.4881  636.565   46.725  629.214   45.999 7.350952 65.56769 
1 1 1    2   49   11 o  540.664   33.348   7.9434   0.9255   8.4851   1.3144   7.4109   1.3033  559.858   45.663  521.469   48.612 38.38898 66.69548 
1 1 1    2   49   13 o  345.227   34.439   3.2546   0.6101   3.5266   0.8750   2.9971   0.8512  359.847   47.293  330.607   50.076 29.23920 68.87858 
1 1 1    2   49   15 o  216.476   34.961   1.3463   0.4289   0.4374   0.6146   2.2092   0.5988  146.345   56.900  286.608   40.638 -140.2629 69.92156 
1 1 1    2   49   17 o  481.376   34.136   6.4006   0.8223   8.2331   1.1882   4.7160   1.1392  551.768   41.884  410.985   53.915 140.7834 68.27231 
1 1 1    2   49   19 o  264.422   47.780   2.4586   0.8026   0.0000   1.5035   3.4384   0.9491  178.155   79.754  350.688   52.640 -172.5323 95.55963 
1 1 1    2   49   21 o  272.448   52.718   2.5840   0.9585   0.0000   1.6305   3.9484   1.1848  182.359   82.226  362.537   65.997 -180.1773 105.4359 
1 1 1    2   49   23 o  400.004   64.300   5.8053   1.2920   6.5579   1.5989   4.3894   2.1931  468.490   66.384  331.518  110.141 136.9721 128.5993 
1 1 1    2   49   25 o  329.397   65.864   3.7921   1.1181   3.4779   1.3670   4.4271   1.9436  320.749   82.446  338.046  102.737 -17.29688 131.7276 
1 1 1    2   49   27 o  371.189   43.708   4.2147   0.8009   4.8097   1.1088   3.5656   1.1582  407.883   52.874  334.495   69.612 73.38809 87.41553 
1 1 1    2   50    0 o  229.829   74.547   2.1956   0.9731   2.5239   1.4003   1.8889   1.3534  249.888  106.816  209.769  104.015 0.000000 0.000000 
1 1 1    2   50    2 o  388.947   43.794   4.2684   0.8756   4.2025   1.2390   4.3342   1.2377  385.635   62.490  392.259   61.372 -6.623322 87.58727 
1 1 1    2   50    4 o  617.561   42.166   10.821   1.3049   8.2542   1.8443   13.393   1.8464  536.667   66.843  698.455   51.419 -161.7877 84.33189 
1 1 1    2   50    6 o  319.762   47.302   3.0668   0.7688   2.0488   1.1057   4.0193   1.0695  258.703   77.239  380.822   54.627 -122.1199 94.60458 
1 1 1    2   50    8 o  862.936   39.410   20.707   1.7463   22.149   2.5182   19.372   2.4239  892.866   54.856  833.005   56.597 59.86115 78.81909 
1 1 1    2   50   10 f  375.546   35.419   3.8895   0.6777   4.4916   0.9649   3.3032   0.9521  406.150   46.211  344.941   53.688 61.20847 70.83706 
1 1 1    2   50   12 o  394.783   41.584   4.1274   0.8089   3.4792   0.9866   5.4563   1.4127  353.147   54.340  436.420   62.960 -83.27243 83.16759 
1 1 1    2   50   14 o  550.249   33.379   8.3193   0.9382   9.4642   1.3399   7.2179   1.3141  589.596   44.201  510.902   50.030 78.69370 66.75896 
1 1 1    2   50   16 o  423.695   40.331   4.8939   0.8462   5.8687   1.4443   4.3844   1.0442  450.669   62.334  396.720   51.194 53.94901 80.66210 
1 1 1    2   50   18 o  551.108   42.826   8.7848   1.1997   8.7213   1.8266   8.8331   1.5910  544.448   65.254  557.769   55.483 -13.32159 85.65296 
1 1 1    2   50   20 o  469.075   40.502   6.3635   0.9584   5.0481   1.3450   7.7202   1.3660  414.093   63.176  524.057   50.700 -109.9640 81.00394 
1 1 1    2   50   22 o  315.445   63.434   3.4204   1.0440   3.1742   1.2950   3.8775   1.7646  308.268   80.745  322.622   97.857 -14.35385 126.8690 
1 1 1    2   50   24 o  218.743   44.549   1.6205   0.5700   0.7065   1.0332   2.0204   0.6835  175.709   71.908  261.776   52.607 -86.06691 89.09724 
1 1 1    2   51    1 o  768.951   41.236   16.659   1.6302   16.560   2.3029   16.758   2.3081  766.537   58.434  771.365   58.200 -4.828308 82.47257 
1 1 1    2   51    3 o  136.879   40.884   0.1686   0.4900   0.2755   0.6265   0.0000   0.7866  137.340   56.075  136.417   59.513 0.9230499 81.76900 
1 1 1    2   51    5 o  118.158   34.878   0.1150   0.3547   0.2452   0.5181   0.0000   0.4867  126.902   51.295  109.413   47.274 17.48878 69.75669 
1 1 1    2   51    7 o  650.052   40.135   11.889   1.3371   13.085   1.9148   10.752   1.8680  684.199   54.435  615.904   58.991 68.29431 80.26912 
1 1 1    2   51    9 o  964.541   35.788   25.704   1.7555   25.292   2.3143   26.261   2.6941  960.435   46.868  968.647   54.098 -8.211487 71.57682 
1 1 1    2   51   11 o  666.874   33.309   12.251   1.1382   13.320   1.6087   11.179   1.6107  698.121   44.820  635.627   49.287 62.49341 66.61833 
1 1 1    2   51   13 o  247.520   45.725   1.9232   0.5874   1.5037   0.9830   2.1562   0.7326  221.952   73.738  273.087   54.091 -51.13454 91.45007 
1 1 1    2   51   15 o  257.157   47.741   2.1079   0.6542   1.5349   1.0209   2.5070   0.8521  222.843   75.159  291.471   58.890 -68.62791 95.48226 
1 1 1    2   51   17 o  235.171   42.943   1.5936   0.5267   1.1436   0.6827   2.2554   0.8279  195.979   61.126  274.362   60.332 -78.38336 85.88545 
1 1 1    2   51   19 o  352.246   56.645   3.5103   0.8427   3.0730   0.9397   5.3066   1.9046  321.199   59.080  383.293   96.666 -62.09393 113.2908 
1 1 1    2   51   21 o  221.969   54.904   1.6194   0.7797   1.8070   1.0080   1.3398   1.2303  234.752   74.426  209.185   80.736 25.56680 109.8070 
1 1 1    2   51   23 o  671.642   40.239   13.346   1.3740   15.561   1.9623   11.215   1.9246  733.608   52.028  609.677   61.400 123.9316 80.47858 
1 1 1    2   52    0 o  659.370   65.241   13.084   2.0640   11.465   2.8366   14.906   3.0090  608.543   98.373  710.197   85.723 -0.000000 0.000000 
1 1 1    2   52    2 o  855.637   41.442   20.875   1.8196   19.548   2.5736   22.203   2.5731  825.449   60.644  885.825   56.498 -60.37567 82.88394 
1 1 1    2   52    4 o  207.737   45.753   1.2777   0.5473   1.0460   0.7790   1.5036   0.7692  191.535   65.646  223.940   63.750 -32.40500 91.50659 
1 1 1    2   52    6 o  221.458   46.437   1.4766   0.5931   0.9444   0.8552   1.9696   0.8232  186.657   68.293  256.259   62.940 -69.60213 92.87333 
1 1 1    2   52    8 o  181.596   43.283   0.9194   0.4913   0.6265   0.6996   1.2044   0.6900  161.439   61.231  201.754   61.193 -40.31491 86.56635 
1 1 1    2   52   10 o  163.595   42.116   0.6623   0.4433   0.8695   0.7461   0.5493   0.5511  178.248   63.992  148.942   54.773 29.30637 84.23198 
1 1 1    2   52   12 o  309.508   49.463   2.9560   0.7625   3.1017   1.1665   2.8472   1.0076  313.446   73.634  305.570   66.063 7.875946 98.92601 
1 1 1    2   52   14 o  290.984   47.717   2.7247   0.6718   2.9351   0.8005   2.2233   1.2355  324.144   48.032  257.825   82.466 66.31927 95.43460 
1 1 1    2   52   16 o  374.850   40.933   3.9838   0.7382   2.6463   0.9636   5.8836   1.1485  292.498   65.687  457.202   48.860 -164.7039 81.86620 
1 1 1    2   52   18 o  251.630   55.157   1.9079   0.7066   1.6422   0.8141   2.7196   1.4231  228.348   65.767  274.913   88.565 -46.56490 110.3141 
1 1 1    2   52   20 o  403.316   39.515   4.8323   0.8003   4.3926   1.2246   5.1601   1.0574  380.721   62.561  425.912   48.289 -45.19028 79.03033 
1 1 1    2   53    1 o  234.186   45.644   1.5529   0.6311   0.5995   0.8471   2.7422   0.9461  166.146   66.128  302.226   62.934 -136.0798 91.28825 
1 1 1    2   53    3 o  187.116   49.039   0.9680   0.6327   1.1751   0.7794   0.5678   1.0834  198.896   65.639  175.337   72.876 23.55911 98.07846 
1 1 1    2   53    5 o  443.355   60.391   6.1245   1.2380   7.2444   2.2910   5.6626   1.4713  449.845  101.475  436.865   65.508 12.97980 120.7827 
1 1 1    2   53    7 o  393.099   57.736   4.9226   1.0590   5.1993   1.9355   4.8043   1.2651  380.436   98.264  405.762   60.646 -25.32590 115.4715 
1 1 1    2   53    9 o  656.963   63.259   14.346   2.0781   14.851   3.3238   14.021   2.6627  647.672   99.819  666.254   77.735 -18.58142 126.5171 
1 1 1    2   53   11 o  504.843   43.418   7.0628   1.0757   6.0508   1.3068   9.1886   1.8941  458.240   55.471  551.445   66.809 -93.20557 86.83536 
1 1 1    2   53   13 o  166.053   40.073   0.7829   0.4129   0.8798   0.5691   0.6751   0.5999  173.595   56.018  158.510   57.319 15.08534 80.14655 
1 1 1    2   53   15 o  515.617   64.923   9.4074   1.2951   9.5658   1.4552   8.8038   2.8403  580.796   48.733  450.438  120.355 130.3577 129.8468 
1 1 1    2   53   17 f  135.279   39.237   0.3092   0.4430   0.4953   0.5607   0.0000   0.7228  143.065   54.682  127.492   56.285 15.57309 78.47339 
1 1 1    2   54    0 o  540.542  100.545   9.4551   2.5103   9.4551   2.5103   0.0000   0.0000  540.542  100.545  540.542  100.545 -0.000000 0.000000 
1 1 1    2   54    2 o  222.425   56.938   1.5492   0.8536   1.0992   1.1912   2.0242   1.2237  199.418   78.715  245.432   82.289 -46.01472 113.8754 
1 1 1    2   54    4 o  463.254   70.662   7.7948   1.6336   8.4784   2.3657   7.1718   2.2584  486.230   98.021  440.279  101.805 45.95068 141.3230 
1 1 1    2   54    6 o  275.304   51.011   2.1193   0.7659   1.0542   0.9492   4.1059   1.2964  191.354   71.593  359.255   72.683 -167.9009 102.0213 
1 1 1    2   54    8 o  143.464   39.796   0.3100   0.4288   0.0000   0.5358   0.8616   0.7148  112.562   49.112  174.367   62.632 -61.80607 79.59122 
1 1 1    2   54   10 f  289.620   46.622   2.9337   0.7932   4.3999   1.0335   0.8318   1.2374  391.929   51.288  187.310   77.871 204.6183 93.24350 
1 1 1    2   54   12 o  677.264   39.950   13.020   1.3462   11.668   1.6735   15.496   2.2659  637.077   51.094  717.450   61.429 -80.37341 79.90063 
1 1 1    2   55    1 o  337.710   49.919   3.6211   0.8382   4.2969   1.2438   3.0590   1.1344  369.683   67.947  305.736   73.148 63.94724 99.83746 
1 1 1    2   55    3 o  449.020   47.581   6.2993   1.0587   5.5735   1.5342   6.9593   1.4629  414.022   74.830  484.017   58.788 -69.99585 95.16119 
1 1 1    2   55    5 o  224.397   46.800   1.5674   0.6319   2.4208   0.9035   0.7501   0.8841  277.380   64.564  171.414   67.767 105.9666 93.59965 
1 1 1    3    0    1 o  660.749   46.260   11.581   1.5358   11.442   2.1445   11.726   2.2005  656.723   64.975  664.776   65.867 -0.000000 0.000000 
1 1 1    3    0    3 o  683.294   38.077   12.256   1.3174   12.744   1.8601   11.765   1.8662  697.528   52.554  669.060   55.113 0.000000 0.000000 
1 1 1    3    0    5 o   89.149   32.289   0.2747   0.2029   0.1162   0.2867   0.4337   0.2871   70.368   42.694  107.930   48.451 -0.000000 0.000000 
1 1 1    3    0    7 o  273.437   47.999   2.2755   0.5840   1.8618   0.8274   2.6864   0.8245  239.043   76.383  307.831   58.148 -0.000000 0.000000 
1 1 1    3    0    9 o  3411.59   38.358  300.125   6.7241  298.462   9.5094  301.787   9.5091  3402.11   54.398  3421.08   54.094 0.000000 0.000000 
1 1 1    3    0   11 o  409.871   60.010   4.5989   1.1853   4.5989   1.1853   0.0000   0.0000  409.871   60.010  409.871   60.010 0.000000 0.000000 
1 1 1    3    0   13 o  1404.57   38.959   51.076   2.8030   52.440   3.9836   49.739   3.9448  1423.31   54.621  1385.83   55.569 -0.000000 0.000000 
1 1 1    3    0   15 o  998.095   39.398   25.920   2.0058   27.258   2.8597   24.624   2.8140  1023.91   54.680  972.281   56.736 -0.000000 0.000000 
1 1 1    3    0   17 o  979.826   55.660   25.011   2.7832   0.0000   0.0000   25.011   2.7832  979.826   55.660  979.826   55.660 -0.000000 0.000000 
1 1 1    3    0   19 o  1593.86   55.416   65.880   4.5286   65.880   4.5286   0.0000   0.0000  1593.86   55.416  1593.86   55.416 0.000000 0.000000 
1 1 1    3    0   21 o  1249.76   55.841   40.615   3.5717   40.615   3.5717   0.0000   0.0000  1249.76   55.841  1249.76   55.841 0.000000 0.000000 
1 1 1    3    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   25 o  673.330   57.551   11.946   1.9588   11.946   1.9588   0.0000   0.0000  673.330   57.551  673.330   57.551 0.000000 0.000000 
1 1 1    3    0   27 o  2075.89   56.004  111.339   5.9673  111.339   5.9673   0.0000   0.0000  2075.89   56.004  2075.89   56.004 0.000000 0.000000 
1 1 1    3    0   29 o  1971.51   39.923  100.194   4.0429  100.194   4.0429   0.0000   0.0000  1971.51   39.923  1971.51   39.923 0.000000 0.000000 
1 1 1    3    0   31 o  895.565   40.440   20.780   1.8533   20.780   1.8533   0.0000   0.0000  895.565   40.440  895.565   40.440 0.000000 0.000000 
1 1 1    3    0   33 o  1554.54   57.095   62.628   4.5492   62.628   4.5492   0.0000   0.0000  1554.54   57.095  1554.54   57.095 0.000000 0.000000 
1 1 1    3    0   35 o   86.244   47.938   0.2611   0.3142   0.0000   0.0000   0.2611   0.3142   86.244   47.938   86.244   47.938 -0.000000 0.000000 
1 1 1    3    0   37 o  1297.01   40.645   43.517   2.7043   0.0000   0.0000   43.517   2.7043  1297.01   40.645  1297.01   40.645 -0.000000 0.000000 
1 1 1    3    0   39 o  1114.39   40.953   32.201   2.3392   0.0000   0.0000   32.201   2.3392  1114.39   40.953  1114.39   40.953 -0.000000 0.000000 
1 1 1    3    0   41 o  687.110   41.906   12.346   1.4677   12.346   1.4677   0.0000   0.0000  687.110   41.906  687.110   41.906 0.000000 0.000000 
1 1 1    3    0   43 o   72.793   46.947   0.0000   0.4076   0.0000   0.4076   0.0000   0.0000   72.793   46.947   72.793   46.947 0.000000 0.000000 
1 1 1    3    0   45 o  511.210   43.620   6.9349   1.1272   6.9349   1.1272   0.0000   0.0000  511.210   43.620  511.210   43.620 0.000000 0.000000 
1 1 1    3    0   47 o   73.484   43.673   0.1545   0.2881   0.1545   0.2881   0.0000   0.0000   73.484   43.673   73.484   43.673 0.000000 0.000000 
1 1 1    3    0   49 o  520.607   44.313   7.2297   1.1663   0.0000   0.0000   7.2297   1.1663  520.607   44.313  520.607   44.313 -0.000000 0.000000 
1 1 1    3    0   51 o  835.727   42.542   18.406   1.8171   18.406   1.8171   0.0000   0.0000  835.727   42.542  835.727   42.542 0.000000 0.000000 
1 1 1    3    0   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   55 f  191.275   66.423   1.2749   0.5897   0.0000   0.0000   1.2749   0.5897  191.275   66.423  191.275   66.423 -0.000000 0.000000 
1 1 1    3    0   57 o  206.524   63.828   1.4275   0.5932   1.4275   0.5932   0.0000   0.0000  206.524   63.828  206.524   63.828 0.000000 0.000000 
1 1 1    3    0   59 o   81.624   47.010   0.2334   0.3168   0.2334   0.3168   0.0000   0.0000   81.624   47.010   81.624   47.010 0.000000 0.000000 
1 1 1    3    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1    2 o  763.034   27.414   14.997   1.0753   14.777   1.5059   15.225   1.5359  757.346   38.675  768.722   38.862 -11.37585 54.82726 
1 1 1    3    1    4 o  1568.36   26.560   63.367   2.1415   62.881   3.0278   63.853   3.0294  1562.33   37.695  1574.39   37.426 -12.05737 53.11903 
1 1 1    3    1    6 o  1591.81   26.852   65.280   2.1975   65.002   3.1062   65.559   3.1093  1588.41   38.037  1595.21   37.911 -6.805420 53.70335 
1 1 1    3    1    8 o  565.892   27.048   8.2516   0.7868   8.3877   1.1126   8.1153   1.1130  570.573   37.927  561.211   38.573 9.361938 54.09528 
1 1 1    3    1   10 o  1216.89   27.208   38.157   1.7022   37.911   2.4027   38.404   2.4119  1212.95   38.529  1220.82   38.427 -7.869141 54.41647 
1 1 1    3    1   12 o  1874.68   54.515   90.794   5.2542   90.794   5.2542   0.0000   0.0000  1874.68   54.515  ?   ?       ?      ? 
1 1 1    3    1   14 o  755.161   33.508   14.710   1.2276   14.689   1.5046   14.751   2.1231  754.878   38.769  755.444   54.663 -0.5665894 67.01545 
1 1 1    3    1   16 o  829.615   33.151   17.455   1.3444   16.778   1.6470   18.807   2.3273  806.501   39.722  852.730   53.086 -46.22864 66.30160 
1 1 1    3    1   18 o  2340.21   33.391  139.552   3.8161  135.053   4.6766  148.516   6.6015  2286.82   39.777  2393.59   53.644 -106.7761 66.78283 
1 1 1    3    1   20 o  1068.29   34.043   29.628   1.7649   29.709   2.1666   29.468   3.0426  1071.98   39.312  1064.59   55.590 7.388428 68.08548 
1 1 1    3    1   22 o  983.944   40.027   25.290   2.0018   29.896   2.8489   20.797   2.8134  1073.82   51.603  894.071   61.204 179.7453 80.05495 
1 1 1    3    1   24 o  358.119   41.774   3.3963   0.7446   2.8886   1.0556   3.8988   1.0503  328.026   64.894  388.213   52.623 -60.18744 83.54851 
1 1 1    3    1   26 o  1581.22   34.428   64.845   2.6357   65.418   3.2325   63.709   4.5527  1592.89   39.471  1569.55   56.419 23.34692 68.85551 
1 1 1    3    1   28 o  1438.34   34.699   53.812   2.4147   54.604   2.9641   52.250   4.1638  1455.31   39.615  1421.38   56.979 33.92432 69.39710 
1 1 1    3    1   30 o  2142.12   34.373  118.000   3.5780  116.915   4.3846  120.165   6.1905  2129.10   40.056  2155.14   55.870 -26.02979 68.74554 
1 1 1    3    1   32 o  1140.26   28.425   33.576   1.6639   35.832   2.3600   31.346   2.3462  1178.52   38.950  1102.01   41.411 76.50342 56.85041 
1 1 1    3    1   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1   36 o  941.832   29.199   23.076   1.3985   27.142   1.9870   19.084   1.9686  1025.01   37.704  858.657   44.594 166.3496 58.39716 
1 1 1    3    1   38 o  1142.56   28.895   33.845   1.6952   31.720   2.3875   36.005   2.4073  1106.13   41.982  1178.99   39.714 -72.85388 57.79037 
1 1 1    3    1   40 o   98.771   27.312   0.1485   0.2037   0.0000   0.3328   0.2375   0.2576   93.084   39.633  104.458   37.590 -11.37409 54.62390 
1 1 1    3    1   42 o  261.714   32.706   1.8451   0.4220   1.3441   0.5909   2.3664   0.6028  221.861   52.603  301.567   38.880 -79.70662 65.41161 
1 1 1    3    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1   46 o  753.571   29.793   14.942   1.1531   15.659   1.6280   14.221   1.6335  772.167   41.009  734.975   43.229 37.19214 59.58643 
1 1 1    3    1   48 o  482.895   32.228   6.2781   0.7698   8.4005   1.1081   4.2985   1.0702  565.253   38.129  400.538   51.968 164.7155 64.45577 
1 1 1    3    1   50 o  296.047   32.498   2.3397   0.4945   2.4160   0.7013   2.2643   0.6973  300.999   45.315  291.095   46.593 9.903748 64.99554 
1 1 1    3    1   52 o  695.450   30.723   12.948   1.0958   11.954   1.5519   13.935   1.5473  667.717   45.208  723.183   41.616 -55.46558 61.44641 
1 1 1    3    1   54 o  466.661   38.754   5.8802   0.8824   6.4984   1.5340   5.5745   1.0787  479.799   62.186  453.523   46.263 26.27682 77.50754 
1 1 1    3    1   56 o  238.478   37.822   1.6458   0.4517   1.6025   0.6607   1.6838   0.6188  234.519   55.637  242.436   51.251 -7.916794 75.64461 
1 1 1    3    1   58 o  413.645   33.148   4.7759   0.7026   4.3787   0.9969   5.1678   0.9903  394.978   49.092  432.312   44.555 -37.33417 66.29651 
1 1 1    3    2    1 o  1520.10   33.896   59.612   2.6484   60.023   3.7118   59.185   3.7799  1525.51   47.326  1514.69   48.539 10.81860 67.79198 
1 1 1    3    2    3 o  940.619   33.682   22.778   1.5224   22.699   1.8479   22.945   2.6859  938.656   38.291  942.582   55.424 -3.925537 67.36444 
1 1 1    3    2    5 o  768.139   32.668   15.343   1.2180   15.608   1.5009   14.831   2.0846  778.366   37.506  757.913   53.498 20.45258 65.33568 
1 1 1    3    2    7 f  2363.78   33.287  146.242   3.8014  150.585   4.6784  137.805   6.5214  2417.65   37.639  2309.91   54.913 107.7366 66.57414 
1 1 1    3    2    9 o  892.461   33.873   21.040   1.4507   22.009   1.7827   19.139   2.4961  924.261   37.516  860.661   56.410 63.60010 67.74605 
1 1 1    3    2   11 o  963.482   54.918   23.982   2.7204   23.982   2.7204   0.0000   0.0000  963.482   54.918  ?   ?       ?      ? 
1 1 1    3    2   13 o  651.285   38.758   10.979   1.2945   10.082   1.8306   11.877   1.8308  624.496   57.015  678.075   52.515 -53.57861 77.51505 
1 1 1    3    2   15 o  1675.13   30.954   70.691   2.3411   68.895   2.7073   76.017   4.6618  1635.40   32.199  1714.86   52.876 -79.45776 61.90857 
1 1 1    3    2   17 o  575.307   32.930   8.8440   0.8322   9.1335   0.9634   7.9929   1.6516  595.333   31.476  555.281   57.853 40.05139 65.86095 
1 1 1    3    2   19 o  996.414   31.315   25.084   1.4069   24.447   1.6260   26.979   2.8063  973.427   32.490  1019.40   53.545 -45.97467 62.63088 
1 1 1    3    2   21 o  2698.94   32.829  192.847   3.9117  197.025   4.5260  180.516   7.7760  2763.45   31.857  2634.43   57.412 129.0237 65.65766 
1 1 1    3    2   23 o  2332.45   56.387  141.053   6.7618  141.053   6.7618   0.0000   0.0000  2332.45   56.387  ?   ?       ?      ? 
1 1 1    3    2   25 f  1694.07   34.683   75.164   2.8318   77.219   3.4752   71.104   4.8853  1730.51   39.060  1657.64   57.324 72.87415 69.36634 
1 1 1    3    2   27 f  2213.43   33.558  123.111   3.6368  116.070   4.4473  137.321   6.3184  2121.65   40.771  2305.21   53.312 -183.5591 67.11517 
1 1 1    3    2   29 o  780.744   35.085   15.958   1.3214   16.388   1.6228   15.113   2.2764  797.224   39.593  764.264   57.934 32.95929 70.17079 
1 1 1    3    2   31 o  1187.10   35.982   37.699   2.0355   40.154   2.5010   32.883   3.5031  1247.72   38.987  1126.48   60.487 121.2422 71.96335 
1 1 1    3    2   33 o  1586.76   40.381   65.279   3.2911   61.696   4.6329   68.929   4.6761  1542.49   58.420  1631.03   55.763 -88.54041 80.76201 
1 1 1    3    2   35 o  989.982   34.614   25.012   1.6690   24.262   2.0406   26.528   2.9009  968.983   40.961  1010.98   55.810 -41.99725 69.22846 
1 1 1    3    2   37 o  1369.86   28.694   48.571   2.0207   48.972   2.8520   48.166   2.8636  1375.60   40.326  1364.12   40.831 11.48401 57.38749 
1 1 1    3    2   39 o  396.379   31.083   4.1263   0.6173   5.2882   0.8861   3.0304   0.8606  451.717   38.155  341.042   49.081 110.6752 62.16684 
1 1 1    3    2   41 o  645.674   29.476   10.851   0.9785   10.737   1.3802   10.966   1.3873  642.255   41.800  649.094   41.571 -6.838318 58.95197 
1 1 1    3    2   43 o  374.567   45.178   3.7897   0.8507   3.5217   1.1866   4.0731   1.2203  357.643   66.997  391.491   60.627 -33.84741 90.35645 
1 1 1    3    2   45 o  787.140   29.607   16.251   1.1968   15.250   1.6797   17.283   1.7057  762.142   42.867  812.139   40.852 -49.99689 59.21494 
1 1 1    3    2   47 o  483.171   30.680   6.1713   0.7609   6.5252   1.0711   5.8108   1.0810  497.609   41.866  468.733   44.858 28.87598 61.35943 
1 1 1    3    2   49 o  284.442   34.454   2.1889   0.4879   2.6402   0.7120   1.7892   0.6700  315.342   43.916  253.542   53.102 61.79991 68.90873 
1 1 1    3    2   51 o  841.027   30.424   18.834   1.3139   17.638   1.8396   20.078   1.8773  813.122   44.005  868.932   42.023 -55.81006 60.84726 
1 1 1    3    2   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    2   55 o  339.685   34.542   3.2312   0.5784   2.6473   0.8281   3.7874   0.8082  304.684   54.884  374.686   41.957 -70.00171 69.08409 
1 1 1    3    2   57 o  508.361   32.481   7.1209   0.8456   7.9446   1.2144   6.3455   1.1782  538.400   43.871  478.322   47.911 60.07800 64.96207 
1 1 1    3    2   59 o  251.346   37.339   1.8785   0.4862   1.0292   0.6752   2.7931   0.7007  185.335   61.092  317.358   42.947 -132.0220 74.67715 
1 1 1    3    3    0 o  924.303   42.219   22.021   1.9457   21.025   2.4857   23.597   3.1265  898.519   54.261  950.087   64.695 -0.000000 0.000000 
1 1 1    3    3    2 o  353.855   28.743   3.2332   0.5218   3.4478   0.7333   3.0130   0.7425  365.811   38.990  341.899   42.243 23.91211 57.48608 
1 1 1    3    3    4 o  1454.36   26.923   54.493   2.0129   54.448   2.8270   54.538   2.8669  1453.79   37.823  1454.94   38.326 -1.156494 53.84645 
1 1 1    3    3    6 o  653.595   26.782   11.006   0.8999   10.878   1.2710   11.134   1.2744  649.798   38.045  657.393   37.705 -7.594910 53.56391 
1 1 1    3    3    8 o  551.021   34.239   8.1491   0.8973   8.7621   1.1041   6.9566   1.5401  583.201   36.824  518.842   57.734 64.35968 68.47831 
1 1 1    3    3   10 o  1365.86   38.381   48.184   2.6951   48.505   3.8376   47.871   3.7857  1370.33   54.470  1361.39   54.088 8.935059 76.76257 
1 1 1    3    3   12 o  1796.31   38.619   83.634   3.5502   74.581   5.0274   92.640   5.0141  1698.53   57.571  1894.09   51.490 -195.5670 77.23780 
1 1 1    3    3   14 o  1036.77   33.962   28.230   1.6981   29.205   2.0893   26.332   2.9147  1064.43   38.178  1009.12   56.180 55.30939 67.92460 
1 1 1    3    3   16 o  561.409   35.251   8.5231   0.9377   9.2492   1.1540   7.1127   1.6085  598.892   37.480  523.925   59.715 74.96765 70.50220 
1 1 1    3    3   18 o  778.791   33.731   15.649   1.2757   15.544   1.5633   15.858   2.2069  775.778   39.196  781.803   54.906 -6.024292 67.46114 
1 1 1    3    3   20 o  1150.61   32.553   34.857   1.6592   35.422   1.9200   33.193   3.2969  1171.64   31.874  1129.57   56.770 42.06970 65.10586 
1 1 1    3    3   22 o  545.531   40.064   7.7553   1.1151   8.9175   1.5865   6.6203   1.5678  586.452   52.618  504.609   60.430 81.84247 80.12756 
1 1 1    3    3   24 o  482.450   35.020   6.1354   0.8150   6.3826   1.0048   5.6600   1.3935  497.427   39.291  467.473   57.982 29.95377 70.04094 
1 1 1    3    3   26 o  542.031   31.322   7.2594   0.7722   6.9187   0.8926   8.2734   1.5399  518.242   33.501  565.820   52.935 -47.57800 62.64477 
1 1 1    3    3   28 f  1807.64   34.270   83.849   3.0088   82.807   3.6823   85.944   5.2192  1792.10   39.966  1823.18   55.681 -31.07397 68.53953 
1 1 1    3    3   30 o  2137.24   34.055  115.933   3.5504  111.718   4.3417  124.440   6.1685  2081.12   40.578  2193.35   54.702 -112.2310 68.10939 
1 1 1    3    3   32 o  1524.31   34.455   59.609   2.5542   58.669   3.1279   61.491   4.4252  1507.77   40.351  1540.85   55.860 -33.07373 68.90927 
1 1 1    3    3   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    3   36 o  536.414   35.810   7.4728   0.9262   7.4894   1.1298   7.4389   1.6174  538.169   40.835  534.659   58.838 3.509521 71.61999 
1 1 1    3    3   38 o  1857.26   34.767   88.114   3.1470   84.829   3.8450   94.782   5.4774  1808.96   41.342  1905.56   55.909 -96.59900 69.53460 
1 1 1    3    3   40 o  1362.47   29.091   48.250   2.0369   49.903   2.8827   46.602   2.8785  1386.03   40.454  1338.92   41.817 47.10754 58.18213 
1 1 1    3    3   42 o  104.977   27.422   0.1881   0.2077   0.0000   0.2944   0.3746   0.2931   87.480   37.261  122.474   40.244 -34.99448 54.84479 
1 1 1    3    3   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    3   46 o  372.854   31.444   3.6657   0.6028   3.6735   0.8514   3.6579   0.8535  373.273   44.365  372.436   44.573 0.8370667 62.88875 
1 1 1    3    3   48 o  565.123   30.372   8.4399   0.8806   9.2019   1.2666   7.7269   1.2252  590.233   41.741  540.013   44.130 50.22034 60.74363 
1 1 1    3    3   50 o  129.573   31.819   0.3664   0.2758   0.6291   0.3918   0.1087   0.3882  152.584   46.075  106.562   43.896 46.02110 63.63826 
1 1 1    3    3   52 o  413.152   31.974   4.5859   0.6772   4.9735   0.9574   4.1981   0.9579  431.408   43.168  394.896   47.179 36.51135 63.94753 
1 1 1    3    3   54 o  112.761   31.674   0.1957   0.2797   0.0000   0.4446   0.3239   0.3598  105.234   45.328  120.288   44.252 -15.05444 63.34735 
1 1 1    3    3   56 o  385.105   33.781   4.0840   0.6686   3.9590   0.9425   4.2107   0.9488  378.839   48.389  391.371   47.151 -12.53214 67.56297 
1 1 1    3    3   58 o  129.588   32.935   0.4196   0.2799   0.3509   0.4285   0.4707   0.3697  126.000   47.890  133.176   45.225 -7.176079 65.86909 
1 1 1    3    4    1 o  1111.21   29.192   31.826   1.6676   31.647   2.3702   32.001   2.3467  1108.11   41.604  1114.32   40.962 -6.216309 58.38437 
1 1 1    3    4    3 o  356.570   28.192   3.2806   0.5161   3.4360   0.7242   3.1203   0.7357  365.186   38.573  347.955   41.125 17.23096 56.38419 
1 1 1    3    4    5 o  1928.22   26.823   95.800   2.6587   96.518   3.7365   95.064   3.7839  1935.58   37.548  1920.86   38.315 14.71631 53.64607 
1 1 1    3    4    7 o  690.432   26.784   12.285   0.9503   12.726   1.3458   11.845   1.3421  702.835   37.245  678.029   38.501 24.80579 53.56809 
1 1 1    3    4    9 o  1354.65   33.568   47.887   2.1858   45.792   3.8019   48.922   2.6715  1331.36   55.544  1377.94   37.710 -46.58447 67.13524 
1 1 1    3    4   11 o  1137.29   54.024   33.412   3.1589   33.412   3.1589   0.0000   0.0000  1137.29   54.024  ?   ?       ?      ? 
1 1 1    3    4   13 o  983.451   27.307   24.930   1.3807   25.039   1.9485   24.819   1.9567  985.634   38.451  981.268   38.784 4.366333 54.61427 
1 1 1    3    4   15 f  737.215   33.261   13.956   1.1942   13.789   1.4659   14.284   2.0593  731.247   38.991  743.183   53.897 -11.93585 66.52164 
1 1 1    3    4   17 o  419.987   34.303   4.6228   0.6961   4.7457   0.8563   4.3830   1.1955  428.805   38.840  411.168   56.554 17.63620 68.60686 
1 1 1    3    4   19 f  708.836   33.677   12.990   1.1605   12.926   1.4245   13.117   2.0012  707.155   39.182  710.517   54.784 -3.362122 67.35346 
1 1 1    3    4   21 f  1965.65   39.242  100.391   3.9657  101.150   5.6242   99.640   5.5925  1973.06   55.443  1958.24   55.549 14.82837 78.48335 
1 1 1    3    4   23 o  2133.54   56.003  117.952   6.1430  117.952   6.1430   0.0000   0.0000  2133.54   56.003  ?   ?       ?      ? 
1 1 1    3    4   25 o  1479.58   31.131   54.266   2.0881   51.943   2.4111   61.238   4.1768  1419.95   33.027  1539.21   52.780 -119.2560 62.26203 
1 1 1    3    4   27 f  1216.36   32.393   38.190   1.7591   38.199   2.0347   38.162   3.5008  1217.82   32.497  1214.90   56.047 2.922729 64.78673 
1 1 1    3    4   29 o  950.678   34.164   24.429   1.4177   25.510   1.6419   21.261   2.8104  995.169   32.092  906.188   60.322 88.98157 68.32721 
1 1 1    3    4   31 f  662.960   34.175   11.126   1.1078   10.642   1.3564   12.096   1.9202  642.221   41.079  683.698   54.628 -41.47748 68.34963 
1 1 1    3    4   33 o  494.809   57.291   6.3474   1.4574   6.3474   1.4574   0.0000   0.0000  494.809   57.291  ?   ?       ?      ? 
1 1 1    3    4   35 o  809.477   40.624   17.018   1.6906   16.855   2.3761   17.185   2.4059  805.560   57.371  813.393   57.532 -7.833313 81.24890 
1 1 1    3    4   37 o  1083.54   35.229   30.520   1.8516   30.560   2.2715   30.442   3.1965  1086.48   40.666  1080.59   57.537 5.885864 70.45718 
1 1 1    3    4   39 o  363.354   36.619   3.4402   0.6490   3.4272   0.7999   3.4654   1.1101  363.220   42.836  363.489   59.403 -0.2695618 73.23746 
1 1 1    3    4   41 o  450.999   36.055   5.2458   0.7929   5.0736   0.9706   5.5912   1.3749  441.302   42.780  460.697   58.050 -19.39505 72.11068 
1 1 1    3    4   43 o  708.762   59.855   13.347   2.1811   13.347   2.1811   0.0000   0.0000  708.762   59.855  ?   ?       ?      ? 
1 1 1    3    4   45 o  487.078   39.104   6.5455   0.9043   5.6649   1.5546   6.9958   1.1117  457.799   66.050  516.357   41.878 -58.55853 78.20741 
1 1 1    3    4   47 o  381.892   31.042   3.8535   0.6067   4.3449   0.8716   3.3915   0.8451  406.007   41.757  357.778   45.942 48.22858 62.08362 
1 1 1    3    4   49 f  556.209   30.732   8.2140   0.8783   8.3129   1.2267   8.1098   1.2582  559.989   42.607  552.428   44.299 7.560913 61.46301 
1 1 1    3    4   51 o  617.195   30.660   10.163   0.9720   9.8030   1.3849   10.513   1.3646  605.835   44.463  628.554   42.227 -22.71906 61.31942 
1 1 1    3    4   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    4   55 o  287.774   35.868   2.3755   0.5014   1.4832   0.7026   3.3016   0.7158  224.947   59.742  350.600   39.710 -125.6533 71.73592 
1 1 1    3    4   57 o  261.996   35.511   1.9694   0.4648   1.6893   0.6770   2.2190   0.6391  239.494   55.989  284.499   43.697 -45.00534 71.02254 
1 1 1    3    4   59 o  235.760   43.169   1.7796   0.5219   1.4397   0.8939   1.9554   0.6428  212.695   70.301  258.826   50.120 -46.13074 86.33808 
1 1 1    3    5    0 o  192.772   41.372   1.2121   0.3682   0.9237   0.5262   1.4885   0.5152  160.454   65.107  225.090   51.065 0.000000 0.000000 
1 1 1    3    5    2 o  1844.79   28.780   87.707   2.7296   87.841   3.8515   87.573   3.8690  1846.21   40.577  1843.36   40.824 2.847412 57.55952 
1 1 1    3    5    4 o  1093.58   27.631   30.804   1.5522   29.053   2.1724   32.630   2.2186  1061.80   39.794  1125.36   38.345 -63.56116 55.26242 
1 1 1    3    5    6 o  790.754   26.763   16.111   1.0879   16.166   1.5293   16.054   1.5480  792.135   37.552  789.373   38.142 2.762146 53.52589 
1 1 1    3    5    8 o  724.080   32.856   13.454   1.1527   13.734   2.0076   13.316   1.4079  729.266   53.544  718.894   38.093 10.37164 65.71193 
1 1 1    3    5   10 o  3195.32   38.235  263.099   6.2812  263.099   6.2812   0.0000   0.0000  3195.32   38.235  ?   ?       ?      ? 
1 1 1    3    5   12 o  1091.07   27.170   30.684   1.5239   30.083   2.1556   31.284   2.1545  1080.36   38.809  1101.77   38.035 -21.40942 54.33961 
1 1 1    3    5   14 o  1024.59   27.373   27.077   1.4407   25.736   2.0337   28.428   2.0412  999.043   39.595  1050.13   37.806 -51.08783 54.74531 
1 1 1    3    5   16 o  906.363   27.494   21.197   1.2811   21.495   1.8104   20.897   1.8130  912.789   38.578  899.937   39.184 12.85150 54.98780 
1 1 1    3    5   18 o  1192.57   27.678   36.770   1.6952   38.771   2.3991   34.774   2.3956  1225.16   38.088  1159.98   40.168 65.18066 55.35547 
1 1 1    3    5   20 o  359.114   39.028   3.7056   0.6278   4.2564   0.7742   2.6479   1.0728  405.885   37.100  312.344   68.674 93.54129 78.05505 
1 1 1    3    5   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    5   24 o  417.140   38.600   4.8876   0.7258   5.4947   0.8938   3.7123   1.2436  461.636   37.661  372.643   67.391 88.99277 77.19987 
1 1 1    3    5   26 o  1155.10   35.240   35.495   1.9489   37.564   2.3989   31.480   3.3423  1207.15   38.653  1103.06   58.935 104.0880 70.47922 
1 1 1    3    5   28 o  1267.80   35.710   43.039   2.1622   46.091   2.6664   37.176   3.6953  1337.12   38.786  1198.48   59.971 138.6373 71.42067 
1 1 1    3    5   30 o  1023.62   34.297   28.586   1.5325   30.130   1.7801   24.165   3.0122  1081.45   32.016  965.793   60.664 115.6571 68.59435 
1 1 1    3    5   32 o  1024.62   35.163   27.492   1.7374   28.173   2.1319   26.146   2.9980  1044.86   39.686  1004.38   58.058 40.47827 70.32548 
1 1 1    3    5   34 o  1994.55   40.204  103.250   4.1211  107.109   5.8530   99.456   5.8034  2031.78   56.032  1957.31   57.671 74.46606 80.40781 
1 1 1    3    5   36 o  188.687   37.423   0.9943   0.3777   1.1654   0.4598   0.6396   0.6620  208.259   44.307  169.115   60.322 39.14461 74.84558 
1 1 1    3    5   38 o  2355.30   36.168  148.200   4.0847  155.630   5.0255  133.737   7.0116  2450.59   39.888  2260.00   60.345 190.5933 72.33638 
1 1 1    3    5   40 o  688.258   35.710   12.399   1.1946   12.434   1.4696   12.330   2.0511  691.591   41.332  684.924   58.246 6.666748 71.42072 
1 1 1    3    5   42 o  479.488   39.070   6.4536   0.8769   7.2315   1.0843   4.9829   1.4909  526.837   40.033  432.139   67.105 94.69861 78.13930 
1 1 1    3    5   44 o  175.875   57.997   0.7943   0.6085   0.7943   0.6085   0.0000   0.0000  175.875   57.997  ?   ?       ?      ? 
1 1 1    3    5   46 o  385.210   31.780   3.9361   0.6218   3.2167   0.8713   4.6824   0.8875  348.298   48.660  422.122   40.892 -73.82388 63.56066 
1 1 1    3    5   48 o  106.959   28.829   0.2086   0.2176   0.1649   0.2844   0.2703   0.3381   99.312   38.681  114.606   42.757 -15.29443 57.65759 
1 1 1    3    5   50 o  636.961   30.750   10.811   1.0013   12.240   1.4295   9.4354   1.4031  679.574   40.914  594.348   45.917 85.22614 61.50095 
1 1 1    3    5   52 o  339.805   36.952   3.0105   0.6258   3.6993   1.0541   2.6355   0.7777  367.215   55.831  312.395   48.423 54.81982 73.90477 
1 1 1    3    5   54 o  276.597   43.907   2.3545   0.6080   1.6392   1.0103   2.7605   0.7612  234.318   74.534  318.876   46.433 -84.55852 87.81376 
1 1 1    3    5   56 o  220.051   43.913   1.5239   0.5141   1.0221   0.9672   1.7215   0.6070  194.453   72.364  245.650   49.767 -51.19768 87.82585 
1 1 1    3    5   58 o  157.395   34.968   0.7144   0.3641   0.0000   0.6259   1.0797   0.4476  121.094   52.950  193.695   45.688 -72.60115 69.93670 
1 1 1    3    6    1 o  692.515   28.984   12.387   1.0172   12.521   1.3347   12.200   1.5712  697.173   37.236  687.857   44.428 9.315430 57.96846 
1 1 1    3    6    3 o  936.420   28.494   22.595   1.3715   21.927   1.9282   23.279   1.9512  922.388   40.659  950.451   39.930 -28.06238 56.98759 
1 1 1    3    6    5 o  642.526   27.303   10.636   0.9018   10.536   1.2615   10.739   1.2895  639.469   38.371  645.583   38.852 -6.113159 54.60594 
1 1 1    3    6    7 o  1386.07   32.931   49.564   2.2122   49.542   3.8307   49.575   2.7098  1385.03   53.796  1387.11   37.997 -2.078003 65.86225 
1 1 1    3    6    9 o  654.641   33.316   11.118   1.0498   11.234   1.2809   10.881   1.8325  660.295   37.731  648.988   54.921 11.30701 66.63279 
1 1 1    3    6   11 o  984.052   32.802   24.810   1.5702   25.525   2.7179   24.452   1.9237  994.040   53.182  974.065   38.412 19.97571 65.60331 
1 1 1    3    6   13 o  560.475   27.296   8.1044   0.7852   8.6786   1.1141   7.5375   1.1070  580.271   37.343  540.679   39.822 39.59180 54.59185 
1 1 1    3    6   15 f  1906.34   27.346   93.739   2.6799   92.116   3.7878   95.365   3.7920  1889.76   38.986  1922.91   38.356 -33.14966 54.69122 
1 1 1    3    6   17 o  519.638   27.709   6.9819   0.7387   7.5360   1.0470   6.4328   1.0422  540.279   37.694  498.996   40.626 41.28265 55.41885 
1 1 1    3    6   19 o  424.980   27.911   4.6774   0.6079   5.1176   0.8621   4.2418   0.8575  445.016   37.680  404.945   41.186 40.07126 55.82169 
1 1 1    3    6   21 o  1225.07   39.540   39.112   2.4769   34.497   3.5048   43.716   3.5009  1151.87   59.182  1298.26   52.450 -146.3882 79.07942 
1 1 1    3    6   23 o  1230.05   34.194   39.313   2.0375   39.735   2.5016   38.483   3.5119  1241.03   39.207  1219.06   56.034 21.97607 68.38824 
1 1 1    3    6   25 o  521.742   35.583   7.2906   0.8854   7.8023   1.0903   6.2996   1.5173  550.142   38.547  493.343   59.821 56.79871 71.16512 
1 1 1    3    6   27 o  2645.73   34.104  179.663   4.3943  177.462   5.3930  184.010   7.5798  2623.55   39.983  2667.92   55.261 -44.36792 68.20848 
1 1 1    3    6   29 o  1594.94   34.427   65.738   2.6685   65.806   3.2787   65.605   4.5930  1597.41   39.922  1592.48   56.098 4.928101 68.85328 
1 1 1    3    6   31 o  271.762   35.591   1.7512   0.4679   1.2615   0.5699   2.7632   0.8194  216.557   51.873  326.968   48.744 -110.4111 71.18108 
1 1 1    3    6   33 o  2625.62   57.338  178.782   7.7401  178.782   7.7401   0.0000   0.0000  2625.62   57.338  ?   ?       ?      ? 
1 1 1    3    6   35 o  1062.04   35.468   29.492   1.8237   30.027   2.2425   28.446   3.1338  1077.91   40.465  1046.17   58.263 31.73462 70.93656 
1 1 1    3    6   37 o  457.479   35.359   5.3613   0.7940   5.1825   0.9787   5.7057   1.3581  447.181   42.569  467.778   56.471 -20.59723 70.71847 
1 1 1    3    6   39 o  290.514   37.541   2.1555   0.5231   1.9632   0.6394   2.5446   0.9095  274.673   45.279  306.355   59.892 -31.68149 75.08217 
1 1 1    3    6   41 o  170.923   36.829   0.6219   0.3404   0.3740   0.4052   1.2163   0.6275  130.535   47.121  211.310   56.614 -80.77504 73.65876 
1 1 1    3    6   43 o  457.747   59.926   5.5736   1.4103   5.5736   1.4103   0.0000   0.0000  457.747   59.926  ?   ?       ?      ? 
1 1 1    3    6   45 o  372.156   44.767   4.3282   0.7420   5.4084   0.9273   2.4060   1.2370  454.356   39.697  289.956   80.252 164.4008 89.53322 
1 1 1    3    6   47 o  527.491   30.519   7.3747   0.8201   6.1890   1.1486   8.6076   1.1712  483.039   46.250  571.943   39.830 -88.90485 61.03710 
1 1 1    3    6   49 o  222.535   33.317   1.3862   0.3839   2.0403   0.5431   0.7331   0.5427  278.240   37.966  166.830   54.759 111.4097 66.63339 
1 1 1    3    6   51 o  323.509   34.812   2.9183   0.5425   2.0237   0.7657   3.8197   0.7687  267.411   57.413  379.608   39.387 -112.1969 69.62451 
1 1 1    3    6   53 o  666.858   64.062   12.552   2.1964   12.552   2.1964   0.0000   0.0000  666.858   64.062  ?   ?       ?      ? 
1 1 1    3    6   55 o  312.039   44.699   3.2389   0.6724   1.6726   1.1288   4.1004   0.8371  234.458   79.029  389.620   41.791 -155.1617 89.39787 
1 1 1    3    6   57 o  203.421   35.034   1.1991   0.3704   0.8590   0.5187   1.5531   0.5291  172.853   53.178  233.988   45.624 -61.13455 70.06735 
1 1 1    3    6   59 o  126.751   30.130   0.3622   0.2625   0.0000   0.3715   0.7235   0.3710   95.052   41.186  158.449   43.988 -63.39742 60.25950 
1 1 1    3    7    0 o  1472.05   41.260   56.347   2.9071   55.449   5.0942   56.781   3.5401  1461.32   68.143  1482.78   46.541 0.000000 0.000000 
1 1 1    3    7    2 o  2342.58   30.472  141.547   3.6676  139.242   5.2560  143.734   5.1201  2323.85   43.992  2361.32   42.175 -37.47412 60.94317 
1 1 1    3    7    4 o  1275.04   28.146   41.881   1.8442   40.126   2.5833   43.704   2.6336  1247.78   40.268  1302.29   39.335 -54.51392 56.29165 
1 1 1    3    7    6 o  910.407   33.101   21.497   1.4728   21.005   2.4926   21.761   1.8255  901.849   53.759  918.965   38.637 -17.11554 66.20296 
1 1 1    3    7    8 o  1945.73   33.044   98.275   3.1001   99.443   3.7896   95.911   5.3898  1964.56   37.520  1926.91   54.406 37.65625 66.08884 
1 1 1    3    7   10 o  574.088   37.799   8.5188   1.1148   8.1572   1.5798   8.8774   1.5733  561.881   54.689  586.294   52.193 -24.41260 75.59756 
1 1 1    3    7   12 o  686.622   27.093   12.154   0.9561   11.791   1.3501   12.519   1.3543  676.313   38.829  696.930   37.796 -20.61749 54.18645 
1 1 1    3    7   14 o  1921.72   27.198   95.242   2.6869   93.735   3.8007   96.748   3.7990  1906.47   38.776  1936.96   38.149 -30.49060 54.39557 
1 1 1    3    7   16 o  1848.17   27.359   88.178   2.5990   85.873   3.6706   90.495   3.6806  1823.86   39.145  1872.48   38.232 -48.61633 54.71754 
1 1 1    3    7   18 o  418.495   27.796   4.5280   0.5978   4.6997   0.8475   4.3580   0.8432  426.430   38.658  410.560   39.949 15.86942 55.59129 
1 1 1    3    7   20 f  1065.93   33.879   29.303   1.7519   29.868   3.0411   29.021   2.1432  1072.20   55.168  1059.65   39.339 12.55164 67.75723 
1 1 1    3    7   22 o  1978.83   39.577  101.486   4.0252   98.061   5.6667  104.973   5.7185  1944.93   56.671  2012.72   55.262 -67.79077 79.15484 
1 1 1    3    7   24 o  2149.61   27.942  119.159   3.0879  117.614   4.3611  120.711   4.3728  2135.61   39.719  2163.61   39.310 -28.00684 55.88317 
1 1 1    3    7   26 o  863.507   33.617   18.833   1.4229   17.940   1.7454   20.604   2.4567  834.107   40.701  892.906   53.516 -58.79840 67.23470 
1 1 1    3    7   28 o  856.136   34.433   18.938   1.4332   18.959   1.7616   18.898   2.4650  857.459   39.960  854.813   56.088 2.646301 68.86687 
1 1 1    3    7   30 o  615.103   35.207   9.8574   1.0496   10.021   1.2912   9.5389   1.8019  623.256   40.296  606.950   57.744 16.30646 70.41444 
1 1 1    3    7   32 o  728.508   57.421   13.757   2.1507   13.757   2.1507   0.0000   0.0000  728.508   57.421  ?   ?       ?      ? 
1 1 1    3    7   34 o  567.827   33.661   7.8687   0.9452   6.7227   1.1588   10.146   1.6336  509.869   44.206  625.786   50.774 -115.9171 67.32148 
1 1 1    3    7   36 o  1213.45   34.960   38.157   2.0631   38.029   2.5344   38.410   3.5520  1212.32   40.663  1214.58   56.881 -2.267456 69.92088 
1 1 1    3    7   38 o  1204.61   35.145   37.518   2.0613   36.935   2.5282   38.672   3.5598  1193.24   41.211  1215.99   56.942 -22.75110 70.29017 
1 1 1    3    7   40 o  1018.74   35.448   27.069   1.7566   26.918   2.1580   27.367   3.0239  1017.33   41.259  1020.15   57.654 -2.814697 70.89647 
1 1 1    3    7   42 o  573.748   37.836   9.0835   1.0296   9.9245   1.2734   7.4961   1.7495  616.994   40.144  530.503   64.146 86.49146 75.67175 
1 1 1    3    7   44 o  521.059   42.149   7.2476   1.1285   6.9221   1.5720   7.5937   1.6210  508.839   60.088  533.279   59.122 -24.43997 84.29727 
1 1 1    3    7   46 o  457.389   36.928   5.3173   0.8364   4.6709   1.0293   6.5739   1.4352  419.766   47.693  495.012   56.393 -75.24609 73.85636 
1 1 1    3    7   48 o  292.958   37.903   2.0853   0.5339   1.4594   0.6461   3.4327   0.9480  228.218   55.581  357.698   51.548 -129.4805 75.80531 
1 1 1    3    7   50 o  639.641   39.934   11.665   1.1946   9.7055   2.0719   12.641   1.4622  588.991   68.422  690.291   41.200 -101.2994 79.86871 
1 1 1    3    7   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    7   54 o  334.127   45.642   3.6657   0.7194   1.9694   1.1884   4.6468   0.9038  252.907   80.879  415.347   42.324 -162.4401 91.28388 
1 1 1    3    7   56 o  234.020   37.154   1.5899   0.4379   1.8532   0.6198   1.3275   0.6187  255.247   49.013  212.792   55.851 42.45467 74.30746 
1 1 1    3    7   58 o  267.632   34.387   2.0440   0.4625   2.1588   0.6490   1.9255   0.6592  278.527   45.319  256.737   51.731 21.79050 68.77448 
1 1 1    3    8    1 o  1145.02   30.013   33.976   1.7347   34.782   2.2635   32.829   2.7002  1161.89   37.892  1128.15   46.554 33.73938 60.02595 
1 1 1    3    8    3 o  1103.73   29.654   31.411   1.6821   31.090   2.4039   31.719   2.3547  1098.16   42.578  1109.31   41.287 -11.15320 59.30822 
1 1 1    3    8    5 o  2339.63   32.895  140.116   3.8153  145.276   6.3466  137.196   4.7743  2372.08   52.041  2307.19   40.249 64.89038 65.78959 
1 1 1    3    8    7 o  540.546   32.097   7.3513   0.8500   6.9575   1.0409   8.1395   1.4727  519.594   38.967  561.498   51.016 -41.90430 64.19495 
1 1 1    3    8    9 o  945.445   32.573   22.823   1.4964   22.347   1.8285   23.788   2.6040  931.210   38.192  959.681   52.778 -28.47144 65.14693 
1 1 1    3    8   11 f  570.646   26.939   8.3937   0.7903   8.2584   1.1177   8.5291   1.1176  566.033   38.406  575.258   37.787 -9.225464 53.87870 
1 1 1    3    8   13 o  2485.51   27.098  159.299   3.4625  157.192   4.8962  161.408   4.8972  2469.01   38.572  2502.00   38.071 -32.98755 54.19570 
1 1 1    3    8   15 o  949.338   27.388   23.293   1.3329   21.210   1.8800   25.398   1.8902  906.442   40.342  992.234   37.052 -85.79199 54.77526 
1 1 1    3    8   17 o  920.179   27.552   21.924   1.2990   24.049   1.8399   19.812   1.8343  964.948   37.086  875.410   40.756 89.53821 55.10344 
1 1 1    3    8   19 o  1121.44   27.592   32.520   1.5897   31.012   2.2436   34.040   2.2528  1095.20   39.846  1147.68   38.179 -52.48022 55.18427 
1 1 1    3    8   21 o  518.315   55.912   6.9690   1.4899   6.9690   1.4899   0.0000   0.0000  518.315   55.912  ?   ?       ?      ? 
1 1 1    3    8   23 o  1077.72   27.903   29.959   1.5459   29.385   2.1845   30.534   2.1879  1067.36   39.808  1088.09   39.111 -20.72351 55.80620 
1 1 1    3    8   25 o  1256.63   28.038   40.724   1.8105   42.318   2.5638   39.138   2.5570  1281.24   38.921  1232.02   40.369 49.22217 56.07581 
1 1 1    3    8   27 o  884.691   28.235   20.188   1.2835   19.357   1.8139   21.021   1.8163  866.395   40.722  902.987   39.123 -36.59241 56.47082 
1 1 1    3    8   29 o  1375.64   34.241   48.625   2.2928   48.084   2.8134   49.694   3.9566  1365.37   40.078  1385.90   55.529 -20.52722 68.48164 
1 1 1    3    8   31 o  1410.64   40.060   51.552   2.9007   55.489   4.1393   47.754   4.0660  1463.87   54.999  1357.41   58.262 106.4609 80.12077 
1 1 1    3    8   33 o  1453.25   57.241   54.798   4.2768   54.798   4.2768   0.0000   0.0000  1453.25   57.241  ?   ?       ?      ? 
1 1 1    3    8   35 o  1025.33   35.184   27.298   1.7507   27.377   2.1492   27.142   3.0180  1029.01   40.625  1021.66   57.457 7.351135 70.36777 
1 1 1    3    8   37 o  1110.38   35.403   32.187   1.9069   32.416   2.3432   31.739   3.2816  1118.47   40.748  1102.28   57.906 16.19116 70.80636 
1 1 1    3    8   39 f  661.425   35.790   11.495   1.1488   11.641   1.4146   11.214   1.9688  669.392   41.103  653.457   58.602 15.93500 71.57951 
1 1 1    3    8   41 o  527.333   35.397   7.1309   0.9197   6.7537   1.1348   7.8528   1.5701  508.752   43.387  545.914   55.940 -37.16190 70.79339 
1 1 1    3    8   43 o  391.629   60.613   4.0892   1.2204   4.0892   1.2204   0.0000   0.0000  391.629   60.613  ?   ?       ?      ? 
1 1 1    3    8   45 o  303.702   45.811   2.5499   0.7098   1.9094   0.9886   3.2314   1.0198  259.929   71.666  347.474   57.084 -87.54520 91.62248 
1 1 1    3    8   47 o  146.140   36.352   0.4234   0.3710   0.8549   0.5272   0.0000   0.5222  177.318   53.425  114.961   49.313 62.35645 72.70475 
1 1 1    3    8   49 o  626.570   43.475   10.789   1.3970   11.592   1.9740   9.9827   1.9774  651.588   58.925  601.551   63.938 50.03650 86.95010 
1 1 1    3    8   51 o  479.958   37.378   6.2125   0.8767   6.1019   1.0813   6.4247   1.4977  477.770   44.022  482.145   60.418 -4.375183 74.75513 
1 1 1    3    8   53 o  166.529   36.347   0.8029   0.3860   0.0000   0.7069   1.1441   0.4608  130.827   56.750  202.231   45.429 -71.40393 72.69368 
1 1 1    3    8   55 o  344.501   32.599   3.2445   0.5773   3.1608   0.8120   3.3301   0.8208  339.838   46.477  349.165   45.724 -9.327209 65.19816 
1 1 1    3    8   57 o  156.492   34.806   0.6898   0.3123   0.6891   0.4346   0.6906   0.4490  156.313   48.772  156.670   49.670 -0.3569031 69.61192 
1 1 1    3    8   59 o  364.699   34.157   3.8031   0.6295   4.5847   0.8971   3.0447   0.8836  405.479   43.031  323.919   53.057 81.56027 68.31313 
1 1 1    3    9    0 o  1023.09   40.606   26.571   2.0089   25.262   2.4477   29.271   3.5165  986.847   48.511  1059.34   65.130 -0.000000 0.000000 
1 1 1    3    9    2 o  1144.83   39.113   34.059   2.1532   33.283   3.7635   34.437   2.6254  1134.05   64.549  1155.61   44.189 -21.55713 78.22546 
1 1 1    3    9    4 o  1872.75   38.718   90.486   3.7227   92.600   5.4339   88.617   5.1103  1893.15   55.829  1852.34   53.660 40.80798 77.43597 
1 1 1    3    9    6 o  1099.07   32.591   30.933   1.7601   30.400   2.1793   31.933   2.9847  1086.09   39.029  1112.05   52.205 -25.95752 65.18102 
1 1 1    3    9    8 o  602.514   33.597   9.2668   0.9686   9.0962   1.1672   9.6443   1.7360  594.110   38.214  610.919   55.271 -16.80884 67.19466 
1 1 1    3    9   10 o  1440.06   33.179   54.077   2.3111   51.862   3.9745   55.209   2.8407  1416.53   54.574  1463.59   37.751 -47.05652 66.35852 
1 1 1    3    9   12 o  444.528   27.333   5.1205   0.6198   4.3850   0.8759   5.8585   0.8773  412.291   41.320  476.765   35.792 -64.47379 54.66647 
1 1 1    3    9   14 o  405.112   27.445   4.2388   0.5705   4.5545   0.8090   3.9263   0.8048  420.189   37.449  390.035   40.132 30.15482 54.89094 
1 1 1    3    9   16 o  1423.52   27.372   52.367   2.0021   50.304   2.8314   54.430   2.8314  1395.32   39.469  1451.70   37.936 -56.38013 54.74422 
1 1 1    3    9   18 o  1720.71   27.448   76.543   2.4280   77.653   3.4320   75.431   3.4353  1733.27   38.514  1708.15   39.118 25.12866 54.89532 
1 1 1    3    9   20 o  510.457   55.848   6.7634   1.4657   6.7634   1.4657   0.0000   0.0000  510.457   55.848  ?   ?       ?      ? 
1 1 1    3    9   22 o  1669.00   35.106   74.320   2.7936   65.549   4.8196   78.757   3.4284  1590.55   58.937  1747.45   38.160 -156.9036 70.21272 
1 1 1    3    9   24 o  3033.88   27.865  237.315   4.3464  237.958   6.1472  236.672   6.1462  3038.00   39.357  3029.76   39.458 8.238281 55.73020 
1 1 1    3    9   26 o  2160.82   28.018  120.398   3.1114  116.396   4.3940  124.423   4.4064  2124.70   40.225  2196.93   39.012 -72.23120 56.03544 
1 1 1    3    9   28 o  1442.71   28.228   53.703   2.0919   56.357   2.9616   51.061   2.9554  1478.40   38.964  1407.01   40.855 71.39478 56.45604 
1 1 1    3    9   30 o  1209.97   28.421   37.794   1.7647   34.921   2.4808   40.736   2.5108  1163.26   41.481  1256.68   38.862 -93.42334 56.84129 
1 1 1    3    9   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    9   34 o  409.313   42.181   4.8806   0.7613   5.6970   0.9380   3.3042   1.3034  469.639   38.846  348.987   74.887 120.6518 84.36267 
1 1 1    3    9   36 o  680.149   36.445   12.343   1.1889   12.979   1.4636   11.109   2.0387  708.096   40.202  652.202   60.801 55.89392 72.88985 
1 1 1    3    9   38 o  1226.11   34.994   38.755   2.0950   37.830   2.5726   40.576   3.6098  1207.17   41.451  1245.05   56.393 -37.87927 69.98888 
1 1 1    3    9   40 o  544.652   36.870   7.9514   0.9684   8.3261   1.1972   7.2423   1.6472  565.626   41.169  523.677   61.179 41.94879 73.74087 
1 1 1    3    9   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    9   44 o  444.020   43.639   5.3017   0.9883   6.1375   1.4147   4.5051   1.3812  479.540   57.383  408.499   65.763 71.04102 87.27840 
1 1 1    3    9   46 o  702.993   43.288   13.466   1.5456   11.158   2.1825   15.789   2.1890  638.985   66.436  767.000   55.512 -128.0148 86.57551 
1 1 1    3    9   48 o  592.812   37.642   9.5359   1.0745   9.6785   1.3165   9.2514   1.8595  604.480   42.360  581.145   62.237 23.33527 75.28459 
1 1 1    3    9   50 o  952.368   37.812   25.150   1.7271   26.319   2.1296   22.902   2.9524  995.302   41.617  909.434   63.144 85.86743 75.62453 
1 1 1    3    9   52 o  186.389   63.762   0.9341   0.7349   0.9341   0.7349   0.0000   0.0000  186.389   63.762  ?   ?       ?      ? 
1 1 1    3    9   54 o  182.286   39.650   0.9687   0.4123   0.6557   0.7065   1.1303   0.5077  165.300   61.779  199.271   49.719 -33.97078 79.30090 
1 1 1    3    9   56 o  313.466   36.957   2.8509   0.5627   3.6336   0.7894   2.0421   0.8024  365.257   42.034  261.675   60.799 103.5822 73.91487 
1 1 1    3    9   58 o  423.774   34.267   5.1021   0.7231   3.6972   1.0052   6.6088   1.0410  357.636   54.669  489.912   41.329 -132.2759 68.53309 
1 1 1    3   10    1 o  1492.63   40.104   57.947   2.9394   58.868   3.6672   56.292   4.9157  1510.52   47.222  1474.73   64.834 35.79321 80.20821 
1 1 1    3   10    3 o  974.343   36.607   24.903   1.7667   26.105   2.2496   22.967   2.8541  1006.16   43.487  942.522   58.899 63.64368 73.21315 
1 1 1    3   10    5 o  955.946   33.255   23.400   1.5863   22.859   2.0034   24.310   2.5973  941.639   41.383  970.252   52.069 -28.61298 66.51061 
1 1 1    3   10    7 o  907.542   35.992   21.648   1.5204   22.194   1.8140   20.359   2.7877  928.023   38.020  887.061   61.125 40.96179 71.98476 
1 1 1    3   10    9 o  2064.69   32.855  109.331   3.3195  112.258   5.6722  107.807   4.0937  2084.35   52.931  2045.02   38.935 39.32568 65.70905 
1 1 1    3   10   11 o  361.886   27.111   3.3766   0.5044   3.3605   0.7110   3.3929   0.7157  361.017   38.308  362.755   38.372 -1.737549 54.22146 
1 1 1    3   10   13 o  839.709   27.056   18.197   1.1673   18.950   1.6526   17.446   1.6491  857.122   37.503  822.295   39.009 34.82709 54.11209 
1 1 1    3   10   15 f  1820.54   27.232   85.607   2.5487   87.084   3.6083   84.135   3.6004  1836.29   38.220  1804.80   38.802 31.48938 54.46447 
1 1 1    3   10   17 o  973.895   27.417   24.525   1.3722   23.684   1.9407   25.365   1.9404  957.107   39.439  990.682   38.096 -33.57440 54.83378 
1 1 1    3   10   19 f  831.444   34.274   18.157   1.3729   17.180   2.3695   18.651   1.6844  813.191   56.676  849.696   38.558 -36.50464 68.54872 
1 1 1    3   10   21 o  1437.49   33.818   53.347   2.3575   53.628   4.0824   53.206   2.8876  1438.99   55.180  1435.98   39.113 3.017944 67.63602 
1 1 1    3   10   23 o  2005.84   33.886  103.820   3.2997  103.666   4.0470  104.124   5.6990  2005.12   39.258  2006.57   55.243 -1.447998 67.77146 
1 1 1    3   10   25 o  137.050   29.262   0.4850   0.2255   0.5735   0.3183   0.3957   0.3196  146.973   40.720  127.127   42.034 19.84541 58.52308 
1 1 1    3   10   27 o  2162.68   28.046  120.604   3.1183  122.104   4.4134  119.109   4.4065  2176.15   39.447  2149.22   39.879 26.93311 56.09274 
1 1 1    3   10   29 o  844.505   28.302   18.398   1.2286   18.828   1.7413   17.972   1.7337  854.357   39.643  834.653   40.403 19.70355 56.60316 
1 1 1    3   10   31 o  1526.02   56.584   60.345   4.4394   60.345   4.4394   0.0000   0.0000  1526.02   56.584  ?   ?       ?      ? 
1 1 1    3   10   33 o  881.845   28.748   20.100   1.3018   21.367   1.8489   18.854   1.8331  909.542   39.538  854.148   41.744 55.39496 57.49639 
1 1 1    3   10   35 o  1804.27   35.045   84.537   3.0670   84.656   3.7621   84.302   5.2959  1808.99   40.450  1799.54   57.241 9.452637 70.09074 
1 1 1    3   10   37 o  586.680   35.521   8.8685   1.0134   8.6737   1.2395   9.2614   1.7599  578.252   41.691  595.108   57.522 -16.85529 71.04186 
1 1 1    3   10   39 o  396.118   39.124   4.3020   0.7145   4.5544   0.8753   3.7978   1.2370  418.601   40.671  373.636   66.849 44.96518 78.24860 
1 1 1    3   10   41 f  511.727   42.392   6.9462   1.1079   7.9673   1.5868   5.9748   1.5477  549.402   56.178  474.052   63.500 75.34927 84.78368 
1 1 1    3   10   43 o  426.929   43.323   4.8759   0.9503   4.7954   1.3608   4.9525   1.3277  423.139   62.552  430.719   59.955 -7.579773 86.64515 
1 1 1    3   10   45 o  597.510   37.141   9.6761   1.0732   10.039   1.3281   8.9922   1.8220  617.820   41.812  577.201   61.396 40.61865 74.28168 
1 1 1    3   10   47 o  1019.67   36.874   27.977   1.8177   28.171   2.2299   27.592   3.1378  1032.40   42.011  1006.94   60.612 25.46729 73.74778 
1 1 1    3   10   49 o  352.255   41.709   3.6023   0.6768   3.9370   0.8359   2.9655   1.1531  385.087   42.221  319.424   71.943 65.66351 83.41758 
1 1 1    3   10   51 f  179.154   39.015   0.8036   0.3873   0.5701   0.4807   1.2352   0.6536  149.869   51.560  208.439   58.567 -58.56963 78.02931 
1 1 1    3   10   53 o  161.677   41.610   0.6430   0.4479   0.6437   0.6467   0.6423   0.6208  162.325   59.389  161.029   58.298 1.295517 83.22063 
1 1 1    3   10   55 o  505.235   39.608   7.0413   0.9628   6.7477   1.1646   7.6750   1.7111  496.531   45.621  513.938   64.760 -17.40714 79.21535 
1 1 1    3   10   57 o  145.686   33.819   0.5755   0.2939   0.4728   0.4010   0.6947   0.4320  134.812   47.049  156.560   48.593 -21.74826 67.63771 
1 1 1    3   11    0 o  161.866   47.761   0.9123   0.3826   1.0894   0.6535   0.8199   0.4720  172.812   72.891  150.919   61.735 -0.000000 0.000000 
1 1 1    3   11    2 o  3238.42   35.759  266.864   5.3640  261.937   6.3082  279.728   10.192  3188.14   38.486  3288.70   60.280 -100.5562 71.51839 
1 1 1    3   11    4 o  3054.81   30.305  240.618   4.7577  241.464   6.8303  239.821   6.6310  3059.90   43.417  3049.73   42.291 10.17651 60.60995 
1 1 1    3   11    6 o  946.648   37.470   23.322   1.6521   23.562   1.9641   22.742   3.0549  956.039   39.960  937.258   63.397 18.78131 74.94026 
1 1 1    3   11    8 o  1772.48   34.509   82.567   2.9474   76.860   5.0640   85.491   3.6246  1723.87   57.137  1821.09   38.713 -97.21545 69.01724 
1 1 1    3   11   10 o  1176.01   27.108   35.669   1.6384   36.056   2.2931   35.266   2.3417  1182.58   37.715  1169.43   38.948 13.14783 54.21603 
1 1 1    3   11   12 o  1244.50   27.024   39.967   1.7285   40.884   2.4360   39.036   2.4530  1258.96   37.636  1230.04   38.790 28.91675 54.04724 
1 1 1    3   11   14 o  837.827   27.133   18.128   1.1688   18.167   1.6522   18.088   1.6536  838.749   38.314  836.904   38.431 1.844666 54.26697 
1 1 1    3   11   16 o  1322.56   27.350   45.235   1.8576   47.883   2.6352   42.619   2.6190  1361.26   37.653  1283.87   39.678 77.38464 54.70002 
1 1 1    3   11   18 o  823.570   33.595   17.447   1.3430   17.950   2.3340   17.198   1.6421  831.366   54.605  815.774   39.152 15.59198 67.19070 
1 1 1    3   11   20 f  473.217   55.566   5.8032   1.3519   5.8032   1.3519   0.0000   0.0000  473.217   55.566  ?   ?       ?      ? 
1 1 1    3   11   22 o  1001.72   27.642   25.877   1.4234   25.448   2.0148   26.305   2.0113  993.403   39.448  1010.04   38.731 -16.63782 55.28362 
1 1 1    3   11   24 o  1346.51   27.921   46.787   1.9287   42.987   2.7155   50.655   2.7397  1291.14   40.908  1401.87   38.013 -110.7385 55.84278 
1 1 1    3   11   26 o  627.654   28.187   10.174   0.9074   9.3602   1.2836   10.987   1.2828  602.440   41.444  652.869   38.217 -50.42944 56.37452 
1 1 1    3   11   28 o  1025.47   34.002   26.863   1.7010   26.231   2.0861   28.116   2.9384  1008.43   40.236  1042.51   54.823 -34.07990 68.00396 
1 1 1    3   11   30 o  1299.72   34.494   43.533   2.1782   44.113   3.7651   43.241   2.6704  1305.00   56.117  1294.44   40.126 10.56384 68.98723 
1 1 1    3   11   32 o  473.788   41.511   5.8534   1.0038   6.6661   1.4211   5.0440   1.4181  507.080   54.510  440.497   62.619 66.58359 83.02102 
1 1 1    3   11   34 o  1274.17   28.652   41.977   1.8763   40.549   2.6452   43.423   2.6617  1252.26   41.087  1296.09   39.944 -43.82690 57.30324 
1 1 1    3   11   36 o  431.497   41.477   4.8710   0.9188   4.6210   1.3084   5.1143   1.2906  420.332   60.544  442.663   56.708 -22.33093 82.95358 
1 1 1    3   11   38 o  460.841   36.696   5.6040   0.8225   5.7240   1.0177   5.3780   1.3969  469.305   42.177  452.377   60.062 16.92792 73.39214 
1 1 1    3   11   40 f  1033.50   35.279   27.537   1.7792   26.584   2.1787   29.445   3.0827  1009.99   41.958  1057.01   56.726 -47.01782 70.55702 
1 1 1    3   11   42 o  350.658   67.704   3.4018   1.1764   3.4018   1.1764   0.0000   0.0000  350.658   67.704  ?   ?       ?      ? 
1 1 1    3   11   44 o  220.444   38.447   1.4184   0.4489   1.7577   0.5597   0.8063   0.7517  258.689   42.086  182.199   64.354 76.48991 76.89394 
1 1 1    3   11   46 o  272.361   45.230   2.1258   0.6274   2.5166   0.8613   1.6839   0.9159  301.044   57.746  243.678   69.631 57.36670 90.46084 
1 1 1    3   11   48 o  1054.54   37.043   30.080   1.8929   30.349   2.3294   29.558   3.2478  1069.88   42.349  1039.19   60.789 30.68921 74.08633 
1 1 1    3   11   50 o  826.029   37.559   18.507   1.5018   18.465   1.8415   18.592   2.5950  832.213   43.040  819.844   61.566 12.36859 75.11853 
1 1 1    3   11   52 o  701.385   62.109   13.806   2.2397   13.806   2.2397   0.0000   0.0000  701.385   62.109  ?   ?       ?      ? 
1 1 1    3   11   54 o  486.484   47.828   7.6498   0.9936   9.0580   1.2250   4.9417   1.6988  579.662   41.105  393.306   86.375 186.3559 95.65671 
1 1 1    3   11   56 o  189.956   40.056   0.8400   0.4007   0.5112   0.4703   1.7100   0.7650  141.922   50.822  237.990   61.928 -96.06735 80.11195 
1 1 1    3   11   58 o  130.707   32.043   0.4136   0.2740   0.6654   0.4026   0.1962   0.3741  152.506   46.839  108.909   43.739 43.59689 64.08559 
1 1 1    3   12    1 o  607.312   27.560   9.5159   0.8596   9.1242   1.2248   9.8961   1.2068  594.938   40.042  619.685   37.879 -24.74658 55.12004 
1 1 1    3   12    3 o  2102.02   31.966  114.151   3.4497  109.563   4.9427  118.509   4.8168  2060.53   46.657  2143.51   43.708 -82.98218 63.93197 
1 1 1    3   12    5 o  1621.63   38.883   67.857   2.9744   67.681   3.5569   68.264   5.4240  1619.92   42.708  1623.34   64.989 -3.423950 77.76574 
1 1 1    3   12    7 o  2904.73   34.939  217.667   4.9116  218.652   8.5392  217.180   6.0042  2907.34   57.128  2902.11   40.241 5.225830 69.87825 
1 1 1    3   12    9 o  751.802   27.464   14.572   1.0613   14.436   1.4815   14.716   1.5210  748.212   38.513  755.391   39.164 -7.179199 54.92803 
1 1 1    3   12   11 o  1860.40   27.139   89.284   2.5953   88.732   3.6283   89.862   3.7137  1854.57   38.053  1866.23   38.705 -11.65698 54.27861 
1 1 1    3   12   13 o  857.398   27.146   18.988   1.1964   19.324   1.6862   18.648   1.6977  865.072   37.913  849.725   38.860 15.34692 54.29116 
1 1 1    3   12   15 f  958.332   27.224   23.740   1.3409   22.935   1.8921   24.553   1.9005  941.917   39.071  974.747   37.923 -32.83032 54.44877 
1 1 1    3   12   17 o  248.822   35.483   1.6444   0.4232   1.6127   0.7273   1.6607   0.5204  244.183   58.665  253.462   39.932 -9.279556 70.96549 
1 1 1    3   12   19 o  1147.47   38.911   33.989   2.2955   33.989   2.2955   0.0000   0.0000  1147.47   38.911  ?   ?       ?      ? 
1 1 1    3   12   21 o  1704.30   34.163   75.746   2.8094   72.936   4.8594   77.156   3.4432  1678.84   56.299  1729.75   38.717 -50.91101 68.32690 
1 1 1    3   12   23 o  917.424   27.858   21.723   1.3116   20.201   1.8533   23.250   1.8565  885.102   40.726  949.745   38.022 -64.64355 55.71570 
1 1 1    3   12   25 o  1903.39   27.897   93.420   2.7292   90.756   3.8580   96.088   3.8612  1876.14   39.997  1930.64   38.901 -54.49219 55.79473 
1 1 1    3   12   27 o  1369.01   28.079   48.340   1.9760   47.448   2.7973   49.229   2.7917  1356.35   40.114  1381.66   39.301 -25.30872 56.15738 
1 1 1    3   12   29 o  434.551   29.090   4.8861   0.6479   5.2699   0.9103   4.4921   0.9225  451.970   39.176  417.133   43.013 34.83716 58.18004 
1 1 1    3   12   31 o  858.943   57.140   19.132   2.5233   19.132   2.5233   0.0000   0.0000  858.943   57.140  ?   ?       ?      ? 
1 1 1    3   12   33 o  942.846   28.667   22.984   1.3884   24.138   1.9649   21.834   1.9620  966.612   39.538  919.080   41.521 47.53204 57.33484 
1 1 1    3   12   35 o  1288.43   28.718   42.986   1.9014   44.658   2.6964   41.332   2.6817  1313.50   39.928  1263.35   41.288 50.15723 57.43634 
1 1 1    3   12   37 o  841.047   29.024   18.359   1.2549   18.065   1.7713   18.656   1.7782  834.236   41.298  847.858   40.793 -13.62189 58.04811 
1 1 1    3   12   39 o  455.220   37.078   5.5502   0.8141   5.8011   1.0061   5.0742   1.3857  472.116   41.450  438.324   61.491 33.79144 74.15660 
1 1 1    3   12   41 o  301.761   63.681   2.5113   0.9569   2.5113   0.9569   0.0000   0.0000  301.761   63.681  ?   ?       ?      ? 
1 1 1    3   12   43 o  988.342   36.241   25.829   1.7357   25.760   2.1272   25.966   3.0023  991.219   41.742  985.465   59.257 5.754211 72.48264 
1 1 1    3   12   45 o  359.867   40.844   3.6139   0.6699   3.7479   0.8089   3.3213   1.1953  377.260   41.703  342.474   70.241 34.78680 81.68822 
1 1 1    3   12   47 o  485.450   40.670   6.8220   0.9152   7.6682   1.1285   5.1965   1.5641  538.773   40.741  432.127   70.401 106.6461 81.33957 
1 1 1    3   12   49 o  482.751   44.900   6.4468   1.1141   6.2869   1.5531   6.6162   1.5990  476.655   63.376  488.847   63.621 -12.19128 89.80007 
1 1 1    3   12   51 o  525.517   62.734   7.7202   1.6950   7.7202   1.6950   0.0000   0.0000  525.517   62.734  ?   ?       ?      ? 
1 1 1    3   12   53 o  374.075   50.534   4.2201   0.9382   5.5098   1.3259   2.9268   1.3278  443.297   58.178  304.854   82.643 138.4427 101.0673 
1 1 1    3   12   55 o  363.238   47.185   4.4953   0.7843   5.6966   0.9806   2.3634   1.3063  457.995   41.646  268.481   84.684 189.5146 94.37065 
1 1 1    3   12   57 o  169.421   40.418   0.7545   0.3906   0.6283   0.4665   1.0506   0.7144  150.824   50.804  188.017   62.876 -37.19339 80.83543 
1 1 1    3   13    0 o  1887.26   33.854   91.975   3.2784   89.457   4.6633   94.434   4.6098  1861.52   48.801  1913.00   46.934 0.000000 0.000000 
1 1 1    3   13    2 o  2140.88   39.264  117.722   3.7008  117.002   4.2451  120.003   7.5540  2130.45   38.757  2151.31   68.298 -20.85620 78.52836 
1 1 1    3   13    4 o  1176.70   46.547   36.051   2.8026   38.407   3.8701   33.452   4.0641  1217.88   61.808  1135.51   69.615 82.36902 93.09368 
1 1 1    3   13    6 o  567.907   35.194   7.9944   0.9752   9.3957   1.7229   7.3338   1.1829  602.688   55.604  533.126   43.158 69.56189 70.38721 
1 1 1    3   13    8 o  1311.33   28.277   44.386   1.9053   45.734   2.6794   43.008   2.7097  1331.58   39.139  1291.08   40.823 40.49487 56.55384 
1 1 1    3   13   10 o  1658.89   27.519   71.095   2.3442   73.242   3.2691   68.821   3.3632  1684.90   37.739  1632.89   40.061 52.01770 55.03706 
1 1 1    3   13   12 o  890.107   27.236   20.460   1.2461   20.308   1.7409   20.619   1.7844  886.753   38.185  893.461   38.847 -6.707520 54.47195 
1 1 1    3   13   14 o  1207.17   27.272   37.691   1.6912   39.328   2.3862   36.038   2.3972  1233.69   37.621  1180.65   39.492 53.04688 54.54335 
1 1 1    3   13   16 f  2076.37   33.353  111.388   3.3617  112.655   5.8170  110.752   4.1193  2082.56   54.329  2070.18   38.703 12.38086 66.70502 
1 1 1    3   13   18 o  931.173   38.791   22.385   1.8571   22.385   1.8571   0.0000   0.0000  931.173   38.791  ?   ?       ?      ? 
1 1 1    3   13   20 o  884.237   34.496   20.531   1.4649   19.261   2.5385   21.164   1.7937  862.558   57.243  905.917   38.511 -43.35907 68.99227 
1 1 1    3   13   22 o  529.943   28.386   7.2928   0.7638   8.6617   1.0849   5.9475   1.0755  579.745   36.397  480.141   43.568 99.60406 56.77112 
1 1 1    3   13   24 o  2059.12   27.825  109.309   2.9456  108.183   4.1634  110.438   4.1680  2048.47   39.532  2069.77   39.168 -21.29834 55.65030 
1 1 1    3   13   26 o  683.207   28.144   12.037   0.9885   12.208   1.4004   11.867   1.3956  688.059   39.586  678.354   40.016 9.705200 56.28801 
1 1 1    3   13   28 o  875.547   28.254   19.775   1.2715   20.421   1.8073   19.142   1.7891  889.737   39.510  861.356   40.400 28.38098 56.50813 
1 1 1    3   13   30 o  598.766   57.326   9.2940   1.7647   9.2940   1.7647   0.0000   0.0000  598.766   57.326  ?   ?       ?      ? 
1 1 1    3   13   32 o  1927.18   28.435   95.952   2.8172   97.248   3.9874   94.661   3.9810  1940.23   39.973  1914.13   40.453 26.09387 56.87027 
1 1 1    3   13   34 o  3370.79   28.534  293.973   4.9450  292.974   6.9959  294.969   6.9907  3365.02   40.437  3376.55   40.270 -11.52539 57.06851 
1 1 1    3   13   36 o  1809.07   28.749   84.867   2.6739   84.129   3.7761   85.609   3.7869  1801.14   40.778  1817.00   40.537 -15.86108 57.49884 
1 1 1    3   13   38 o  563.979   29.480   8.2718   0.8547   8.3169   1.2166   8.2279   1.2012  565.471   41.846  562.488   41.536 2.982910 58.96051 
1 1 1    3   13   40 o  349.552   41.230   3.4944   0.6574   2.7192   1.1281   3.8931   0.8090  312.654   71.706  386.451   40.718 -73.79605 82.46021 
1 1 1    3   13   42 o  920.202   42.608   22.635   1.9987   26.444   2.8715   19.056   2.7836  997.740   55.979  842.664   64.251 155.0754 85.21627 
1 1 1    3   13   44 o  441.978   45.712   6.0429   0.8592   7.1092   1.0451   3.8192   1.5092  520.700   39.038  363.255   82.670 157.4457 91.42324 
1 1 1    3   13   46 o  250.593   41.247   1.8250   0.5056   2.0072   0.6096   1.4233   0.9049  275.434   43.050  225.751   70.370 49.68294 82.49371 
1 1 1    3   13   48 o  896.937   38.145   22.214   1.6310   23.083   1.9958   20.468   2.8302  933.019   41.606  860.856   63.946 72.16327 76.29005 
1 1 1    3   13   50 o  948.893   44.058   25.113   2.1360   27.960   3.0106   22.228   3.0310  1007.90   58.099  889.886   66.249 118.0144 88.11584 
1 1 1    3   13   52 o  234.819   42.814   1.5919   0.5008   1.5856   0.6131   1.6046   0.8682  236.482   51.854  233.156   68.142 3.325943 85.62829 
1 1 1    3   13   54 o  141.778   35.946   0.2663   0.3227   0.0000   0.3768   0.9998   0.6253   96.862   41.724  186.694   58.546 -89.83225 71.89275 
1 1 1    3   13   56 o  393.436   41.581   3.8395   0.7553   2.4109   0.8992   7.2599   1.3915  281.586   63.615  505.286   53.563 -223.7007 83.16199 
1 1 1    3   13   58 o  490.938   43.195   7.4746   0.9962   8.0096   1.2290   6.4496   1.7011  534.111   44.754  447.765   73.894 86.34622 86.39001 
1 1 1    3   14    1 o  1072.60   41.708   29.770   2.1753   29.811   3.7423   29.749   2.6734  1071.96   67.903  1073.24   48.450 -1.279541 83.41581 
1 1 1    3   14    3 o  1339.57   39.862   46.339   2.5771   46.694   4.5072   46.166   3.1413  1341.89   65.332  1337.26   45.690 4.637085 79.72343 
1 1 1    3   14    5 o  219.786   39.038   1.3079   0.4210   1.2159   0.7470   1.3506   0.5096  214.886   63.324  224.686   45.671 -9.800354 78.07599 
1 1 1    3   14    7 o  1158.87   29.185   34.674   1.7382   33.640   2.4632   35.699   2.4530  1141.58   41.969  1176.16   40.567 -34.58252 58.36979 
1 1 1    3   14    9 o  1030.56   28.175   27.416   1.4926   27.276   2.0900   27.563   2.1324  1027.89   39.547  1033.22   40.142 -5.329834 56.35064 
1 1 1    3   14   11 o  843.934   27.593   18.411   1.1962   18.718   1.6663   18.085   1.7184  851.292   38.071  836.576   39.952 14.71643 55.18682 
1 1 1    3   14   13 o  1477.62   27.378   56.467   2.0786   57.599   2.9090   55.287   2.9712  1492.93   37.899  1462.32   39.521 30.61365 54.75636 
1 1 1    3   14   15 o  1531.69   33.540   60.950   2.4941   60.288   4.2905   61.288   3.0652  1523.37   54.781  1540.00   38.714 -16.62561 67.08019 
1 1 1    3   14   17 o  1028.00   33.760   27.434   1.6762   27.607   2.0499   27.083   2.9121  1034.10   38.557  1021.90   55.428 12.19568 67.51961 
1 1 1    3   14   19 o  1327.26   38.907   45.609   2.6517   48.407   3.7641   42.853   3.7362  1367.92   53.521  1286.59   56.484 81.32361 77.81351 
1 1 1    3   14   21 o  1334.72   27.668   45.944   1.8973   48.064   2.6894   43.843   2.6770  1365.47   38.309  1303.98   39.931 61.48889 55.33590 
1 1 1    3   14   23 o  1601.43   27.747   66.123   2.2841   67.500   3.2279   64.741   3.2326  1618.19   38.799  1584.67   39.677 33.52100 55.49418 
1 1 1    3   14   25 o  1391.27   27.962   49.942   1.9976   46.983   2.8192   52.927   2.8310  1349.74   40.626  1432.81   38.431 -83.07422 55.92318 
1 1 1    3   14   27 o  1135.55   28.083   33.267   1.6391   32.380   2.3171   34.156   2.3190  1120.34   40.228  1150.76   39.197 -30.41724 56.16644 
1 1 1    3   14   29 o  1433.81   34.231   52.617   2.3888   54.826   4.1418   51.515   2.9241  1454.85   55.373  1412.77   40.259 42.08521 68.46141 
1 1 1    3   14   31 o  407.046   34.898   4.2296   0.6966   4.4905   1.1936   4.0948   0.8578  416.020   55.807  398.072   41.916 17.94815 69.79517 
1 1 1    3   14   33 f  302.974   30.635   2.3748   0.4766   2.2212   0.6664   2.5358   0.6820  292.897   44.252  313.051   42.376 -20.15387 61.26978 
1 1 1    3   14   35 o  540.798   29.113   7.5800   0.8094   7.4787   1.1375   7.6838   1.1519  537.138   41.192  544.458   41.153 -7.319702 58.22645 
1 1 1    3   14   37 o  876.678   29.052   19.967   1.3087   19.084   1.8400   20.870   1.8618  856.915   41.766  896.442   40.395 -39.52679 58.10483 
1 1 1    3   14   39 o  328.128   30.572   2.8123   0.5144   2.5729   0.7252   3.0547   0.7298  313.864   44.940  342.393   41.460 -28.52905 61.14412 
1 1 1    3   14   41 o  609.377   59.733   9.8842   1.8714   9.8842   1.8714   0.0000   0.0000  609.377   59.733  ?   ?       ?      ? 
1 1 1    3   14   43 o  794.877   39.193   17.816   1.4563   19.648   1.7901   14.228   2.5046  865.690   40.219  724.064   67.281 141.6260 78.38577 
1 1 1    3   14   45 o  355.153   43.321   3.7318   0.6968   4.1974   0.8537   2.8032   1.2057  398.954   41.623  311.353   75.989 87.60095 86.64140 
1 1 1    3   14   47 o  531.224   36.719   7.4133   0.9519   7.0338   1.1630   8.1839   1.6571  514.494   43.966  547.953   58.822 -33.45935 73.43707 
1 1 1    3   14   49 o  475.885   39.117   6.2973   0.8944   6.5642   1.1035   5.7862   1.5268  496.183   43.259  455.586   65.186 40.59692 78.23371 
1 1 1    3   14   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   14   53 o  338.603   49.675   3.4445   0.8520   4.2547   1.2038   2.6312   1.2061  387.282   60.460  289.925   78.836 97.35715 99.34995 
1 1 1    3   14   55 o  252.982   42.182   2.0132   0.5471   2.3704   0.6814   1.3651   0.9179  293.544   45.148  212.421   71.266 81.12257 84.36343 
1 1 1    3   14   57 o  428.728   44.166   5.5883   0.8654   5.7231   1.0523   5.3067   1.5213  452.610   45.220  404.846   75.880 47.76382 88.33193 
1 1 1    3   15    0 o  318.314   61.243   3.1370   0.8664   3.0703   1.2382   3.2011   1.2126  312.884   88.851  323.744   84.310 0.000000 0.000000 
1 1 1    3   15    2 o  279.267   32.629   2.0635   0.4446   1.9723   0.7062   2.1234   0.5723  271.614   52.471  286.919   38.798 -15.30475 65.25751 
1 1 1    3   15    4 o  569.618   32.211   8.3990   0.9413   7.9048   1.3456   8.8726   1.3174  553.065   47.322  586.171   43.714 -33.10571 64.42222 
1 1 1    3   15    6 o  1158.76   30.388   34.662   1.8098   35.834   2.5904   33.546   2.5297  1177.90   42.775  1139.62   43.175 38.27673 60.77632 
1 1 1    3   15    8 o  1269.46   29.021   41.633   1.8941   41.923   2.6786   41.342   2.6787  1273.91   40.897  1265.01   41.187 8.900879 58.04251 
1 1 1    3   15   10 o  1142.58   28.146   33.732   1.6531   33.063   2.3150   34.428   2.3615  1131.02   39.811  1154.14   39.798 -23.12024 56.29181 
1 1 1    3   15   12 o  1115.60   27.615   32.177   1.5832   32.245   2.2084   32.104   2.2709  1116.92   38.458  1114.29   39.639 2.638550 55.22932 
1 1 1    3   15   14 o  662.001   34.414   11.630   1.0995   10.537   1.8675   12.210   1.3603  636.603   57.059  687.399   38.490 -50.79626 68.82782 
1 1 1    3   15   16 o  499.699   39.834   6.5444   1.0045   5.0896   1.4134   8.0293   1.4279  442.509   62.126  556.890   49.872 -114.3816 79.66748 
1 1 1    3   15   18 o  2152.32   38.829  119.887   4.2967  119.641   6.0711  120.134   6.0817  2150.11   54.921  2154.54   54.904 -4.427002 77.65797 
1 1 1    3   15   20 o  804.594   27.593   16.691   1.1414   16.732   1.6090   16.649   1.6194  805.595   38.848  803.592   39.197 2.003479 55.18667 
1 1 1    3   15   22 o  1084.40   27.747   30.334   1.5451   28.576   2.1817   32.104   2.1886  1052.76   40.308  1116.03   38.143 -63.27100 55.49426 
1 1 1    3   15   24 o  1213.80   27.914   37.994   1.7415   38.940   2.4617   37.047   2.4641  1228.96   38.961  1198.63   39.985 30.33228 55.82773 
1 1 1    3   15   26 o  1438.80   28.024   53.397   2.0723   51.550   2.9199   55.272   2.9415  1413.66   40.175  1463.93   39.082 -50.27185 56.04813 
1 1 1    3   15   28 o  1097.73   35.925   32.387   1.8761   27.775   3.2215   34.754   2.3079  1034.83   60.552  1160.63   38.677 -125.7968 71.84986 
1 1 1    3   15   30 o  1430.72   56.807   53.104   4.1785   53.104   4.1785   0.0000   0.0000  1430.72   56.807  ?   ?       ?      ? 
1 1 1    3   15   32 o  1051.71   28.538   28.590   1.5423   29.855   2.1937   27.355   2.1687  1074.79   39.699  1028.63   41.009 46.16516 57.07662 
1 1 1    3   15   34 o  790.589   28.690   16.190   1.1660   16.407   1.6476   15.972   1.6504  795.944   40.263  785.233   40.882 10.71136 57.37976 
1 1 1    3   15   36 o  1097.49   28.907   31.286   1.6294   32.958   2.3084   29.625   2.3004  1127.00   39.840  1067.97   41.895 59.02979 57.81398 
1 1 1    3   15   38 o  188.494   33.152   0.9654   0.3249   1.2110   0.4601   0.7209   0.4589  211.776   43.705  165.213   49.860 46.56294 66.30345 
1 1 1    3   15   40 o  194.975   61.198   1.0065   0.6831   1.0065   0.6831   0.0000   0.0000  194.975   61.198  ?   ?       ?      ? 
1 1 1    3   15   42 o  584.701   29.861   8.9675   0.8975   8.7641   1.2594   9.1774   1.2794  577.922   42.385  591.480   42.073 -13.55743 59.72124 
1 1 1    3   15   44 o  355.222   43.875   3.8902   0.6902   4.5737   0.8415   2.4847   1.2066  417.302   39.223  293.141   78.497 124.1605 87.75063 
1 1 1    3   15   46 o  276.234   43.226   2.3537   0.5822   2.7863   0.7066   1.4397   1.0272  324.404   42.367  228.064   75.360 96.33911 86.45299 
1 1 1    3   15   48 o  671.789   42.547   13.585   1.2866   15.787   1.5829   9.2971   2.2087  772.089   39.876  571.489   75.174 200.6000 85.09489 
1 1 1    3   15   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   15   52 o  170.610   36.723   0.8617   0.3685   1.0886   0.4395   0.3242   0.6763  197.115   44.431  144.104   58.482 53.01111 73.44501 
1 1 1    3   15   54 o  433.946   49.865   5.6656   1.0628   4.3668   1.4755   7.0659   1.5321  371.581   79.630  496.310   60.044 -124.7294 99.73093 
1 1 1    3   15   56 o  177.457   40.457   0.7578   0.3868   0.5284   0.4511   1.3956   0.7521  141.755   49.877  213.160   63.715 -71.40558 80.91489 
1 1 1    3   16    1 o  1590.10   27.815   65.247   2.2735   66.964   3.2341   63.570   3.1968  1610.82   39.052  1569.38   39.620 41.44482 55.63064 
1 1 1    3   16    3 o  843.459   30.102   18.239   1.2874   17.583   1.6739   19.189   2.0146  825.311   39.448  861.606   45.479 -36.29547 60.20368 
1 1 1    3   16    5 o  612.927   31.714   9.7053   0.9989   10.063   1.4371   9.3712   1.3895  623.836   44.806  602.017   44.894 21.81927 63.42735 
1 1 1    3   16    7 o  1559.38   30.135   62.949   2.4131   60.230   3.4402   65.584   3.3858  1525.91   43.852  1592.84   41.345 -66.92847 60.26916 
1 1 1    3   16    9 o  1775.89   28.933   81.569   2.6414   82.748   3.7300   80.382   3.7410  1788.86   40.557  1762.92   41.275 25.94556 57.86638 
1 1 1    3   16   11 o  296.603   28.616   2.2776   0.4359   2.3501   0.6089   2.2015   0.6242  301.497   39.285  291.709   41.621 9.788177 57.23277 
1 1 1    3   16   13 o  254.709   35.752   1.6799   0.4377   1.9824   0.7354   1.5140   0.5447  271.593   54.563  237.824   46.212 33.76869 71.50324 
1 1 1    3   16   15 o  1802.79   33.276   83.698   2.9113   82.952   3.5631   85.196   5.0493  1792.58   38.662  1812.99   54.171 -20.40857 66.55286 
1 1 1    3   16   17 o  1531.33   34.296   61.219   2.5141   62.351   3.0593   58.864   4.4127  1554.87   38.269  1507.79   56.923 47.07813 68.59165 
1 1 1    3   16   19 o  977.970   27.612   24.675   1.3871   25.814   1.9594   23.530   1.9639  1000.69   38.085  955.246   39.989 45.44794 55.22339 
1 1 1    3   16   21 o  1448.64   27.637   54.099   2.0584   54.234   2.9128   53.964   2.9091  1450.46   39.060  1446.83   39.109 3.625732 55.27394 
1 1 1    3   16   23 o  1755.73   27.779   79.482   2.5072   78.010   3.5441   80.956   3.5472  1739.41   39.631  1772.04   38.935 -32.63672 55.55719 
1 1 1    3   16   25 o  1217.49   27.983   38.230   1.7512   37.220   2.4685   39.253   2.4848  1201.26   39.970  1233.71   39.175 -32.45435 55.96664 
1 1 1    3   16   27 o  2654.91   28.049  181.872   3.8282  178.723   5.4027  185.046   5.4252  2631.76   39.930  2678.05   39.403 -46.28491 56.09793 
1 1 1    3   16   29 o  947.621   40.031   23.185   1.9503   23.185   1.9503   0.0000   0.0000  947.621   40.031  ?   ?       ?      ? 
1 1 1    3   16   31 o  598.599   28.954   9.2832   0.8860   10.520   1.2619   8.0807   1.2442  638.213   38.458  558.986   43.292 79.22711 57.90743 
1 1 1    3   16   33 o  324.638   29.938   2.7304   0.4991   2.5595   0.7012   2.9060   0.7106  314.273   43.395  335.003   41.255 -20.72958 59.87574 
1 1 1    3   16   35 o  1034.57   28.757   27.774   1.5291   27.007   2.1618   28.542   2.1633  1020.14   41.218  1048.99   40.112 -28.85388 57.51380 
1 1 1    3   16   37 o  794.197   29.440   16.459   1.1940   18.804   1.7004   14.179   1.6770  850.760   38.875  737.634   44.221 113.1263 58.87989 
1 1 1    3   16   39 o  468.547   35.521   5.5597   0.8146   6.4509   1.4251   5.1272   0.9928  494.171   56.092  442.923   43.598 51.24860 71.04233 
1 1 1    3   16   41 o  515.312   36.376   6.9878   0.9112   7.1327   1.5726   6.9145   1.1179  516.981   59.168  513.642   42.334 3.338135 72.75251 
1 1 1    3   16   43 o  776.667   29.695   15.881   1.1847   15.182   1.6786   16.575   1.6723  759.184   43.007  794.150   40.959 -34.96515 59.39057 
1 1 1    3   16   45 o  312.140   35.318   2.7233   0.5226   1.5802   0.7268   3.9464   0.7518  236.840   59.708  387.440   37.743 -150.6001 70.63676 
1 1 1    3   16   47 o  325.138   38.051   2.6502   0.5960   2.0830   0.7238   3.8451   1.0505  273.515   53.387  376.762   54.233 -103.2470 76.10138 
1 1 1    3   16   49 o  150.572   41.143   0.4241   0.4420   0.3075   0.5607   0.6155   0.7183  135.737   53.869  165.407   62.202 -29.66927 82.28577 
1 1 1    3   16   51 o  380.752   39.137   3.7451   0.7378   3.0462   0.9064   5.1173   1.2701  332.766   52.979  428.738   57.619 -95.97168 78.27334 
1 1 1    3   16   53 o  318.912   43.765   3.0490   0.6616   3.2589   0.8195   2.6563   1.1211  345.124   46.186  292.701   74.353 52.42252 87.52987 
1 1 1    3   16   55 o  139.418   38.219   0.3629   0.4129   0.0000   0.6003   0.6887   0.5688  119.260   52.009  159.576   56.018 -40.31594 76.43886 
1 1 1    3   16   57 o  240.409   42.964   1.9345   0.6106   2.7020   0.7792   0.7137   0.9828  307.685   49.257  173.133   70.409 134.5518 85.92833 
1 1 1    3   17    0 o  123.031   46.534   0.5592   0.4044   0.4914   0.5885   0.6199   0.5566  118.018   65.602  128.045   66.016 0.000000 0.000000 
1 1 1    3   17    2 o  1003.49   30.719   25.741   1.5573   27.616   2.4768   24.516   2.0027  1032.89   46.641  974.093   39.989 58.80048 61.43710 
1 1 1    3   17    4 o  339.990   33.228   2.9952   0.5774   3.4338   0.8293   2.5827   0.8043  364.299   44.276  315.680   49.559 48.61923 66.45676 
1 1 1    3   17    6 o  1290.88   31.215   43.108   2.0711   44.344   2.9702   41.938   2.8894  1308.89   44.138  1272.87   44.153 36.01672 62.43097 
1 1 1    3   17    8 o  1089.62   29.853   30.713   1.6718   31.846   2.3844   29.618   2.3448  1109.44   41.803  1069.80   42.631 39.64063 59.70640 
1 1 1    3   17   10 o  1304.46   28.819   44.024   1.9319   45.281   2.7225   42.749   2.7419  1323.37   40.015  1285.55   41.485 37.81592 57.63839 
1 1 1    3   17   12 o  1541.91   34.274   60.795   2.5862   64.151   4.4452   59.078   3.1798  1571.97   55.002  1511.85   40.909 60.11804 68.54736 
1 1 1    3   17   14 o  1215.59   32.974   37.689   1.9580   36.594   2.4019   39.859   3.3807  1190.65   39.238  1240.53   53.006 -49.87292 65.94873 
1 1 1    3   17   16 o  666.366   33.588   11.124   1.0829   10.498   1.3080   12.488   1.9310  637.953   39.878  694.778   54.058 -56.82416 67.17558 
1 1 1    3   17   18 o  1240.84   33.385   39.248   2.0279   41.379   3.4834   38.156   2.4942  1265.22   53.551  1216.46   39.881 48.76941 66.76953 
1 1 1    3   17   20 f  502.307   27.921   6.5053   0.7206   6.2179   1.0145   6.7979   1.0239  491.084   40.180  513.529   38.780 -22.44498 55.84254 
1 1 1    3   17   22 o  1549.22   27.710   61.883   2.2067   60.422   3.1174   63.351   3.1240  1530.84   39.609  1567.59   38.763 -36.75366 55.42001 
1 1 1    3   17   24 o  1837.47   27.843   87.077   2.6301   85.914   3.7183   88.242   3.7207  1825.15   39.626  1849.79   39.123 -24.64294 55.68515 
1 1 1    3   17   26 o  564.978   28.406   8.2357   0.8249   7.9992   1.1607   8.4770   1.1726  556.764   40.548  573.192   39.792 -16.42804 56.81131 
1 1 1    3   17   28 o  882.594   56.318   20.193   2.5555   20.193   2.5555   0.0000   0.0000  882.594   56.318  ?   ?       ?      ? 
1 1 1    3   17   30 o  659.622   33.956   10.911   1.1026   12.481   1.9009   10.115   1.3535  693.710   53.299  625.534   42.085 68.17584 67.91107 
1 1 1    3   17   32 o  1048.41   28.640   28.458   1.5419   30.145   2.1866   26.790   2.1746  1079.51   39.398  1017.30   41.578 62.20862 57.27973 
1 1 1    3   17   34 o  1284.24   28.708   42.774   1.8948   41.366   2.6751   44.193   2.6841  1262.85   41.202  1305.64   39.986 -42.78259 57.41500 
1 1 1    3   17   36 f  209.634   33.682   1.1989   0.3559   1.3738   0.4957   1.0128   0.5113  225.925   44.261  193.343   50.783 32.58224 67.36427 
1 1 1    3   17   38 o  1232.04   29.101   39.570   1.8433   39.237   2.6055   39.903   2.6082  1226.79   41.310  1237.29   41.001 -10.50146 58.20300 
1 1 1    3   17   40 o  1351.75   59.052   48.661   4.1040   48.661   4.1040   0.0000   0.0000  1351.75   59.052  ?   ?       ?      ? 
1 1 1    3   17   42 o  824.080   29.692   17.862   1.2550   16.375   1.7657   19.380   1.7841  788.717   43.544  859.443   40.377 -70.72577 59.38354 
1 1 1    3   17   44 o  325.564   31.126   2.8049   0.5210   2.8178   0.7392   2.7922   0.7344  326.297   44.065  324.830   43.972 1.466705 62.25191 
1 1 1    3   17   46 o  250.806   35.334   1.7419   0.4396   1.6491   0.6217   1.8346   0.6216  243.560   51.268  258.053   48.636 -14.49277 70.66717 
1 1 1    3   17   48 f  168.612   35.464   0.7858   0.3856   1.2446   0.4853   0.0000   0.6351  211.851   45.883  125.373   54.088 86.47858 70.92760 
1 1 1    3   17   50 o  583.479   63.628   9.5882   1.9087   9.5882   1.9087   0.0000   0.0000  583.479   63.628  ?   ?       ?      ? 
1 1 1    3   17   52 o  242.979   40.745   1.4858   0.4879   0.9734   0.5876   2.6237   0.8756  184.826   56.556  301.132   58.668 -116.3061 81.48927 
1 1 1    3   17   54 o  210.732   42.960   1.2247   0.4677   1.0014   0.5669   1.7010   0.8278  185.504   55.284  235.960   65.771 -50.45676 85.91953 
1 1 1    3   17   56 o  213.898   46.259   1.3651   0.5960   0.7058   0.8170   2.1154   0.8715  167.990   65.524  259.805   65.317 -91.81523 92.51836 
1 1 1    3   18    1 o  232.063   42.804   1.4302   0.4985   1.5192   0.8465   1.3829   0.6168  237.839   66.589  226.288   53.802 11.55139 85.60815 
1 1 1    3   18    3 o  1205.21   37.661   36.832   2.0527   39.623   4.0735   35.883   2.3764  1232.26   64.297  1178.17   39.233 54.09619 75.32135 
1 1 1    3   18    5 o  780.940   38.397   15.389   1.4648   17.312   2.5607   14.454   1.7858  815.025   61.110  746.854   46.507 68.17108 76.79470 
1 1 1    3   18    7 o  1077.11   38.062   30.550   1.9702   28.963   3.4171   31.340   2.4114  1053.76   63.074  1100.47   42.621 -46.70679 76.12398 
1 1 1    3   18    9 o  815.538   36.079   17.361   1.4281   16.919   2.4482   17.589   1.7583  806.376   59.052  824.700   41.469 -18.32324 72.15813 
1 1 1    3   18   11 o  991.235   35.545   25.285   1.7078   25.957   2.9748   24.955   2.0857  999.754   57.875  982.717   41.282 17.03735 71.08949 
1 1 1    3   18   13 o  1926.01   33.526   95.765   3.1566   95.456   3.8988   96.355   5.3780  1923.19   39.432  1928.84   54.232 -5.645752 67.05226 
1 1 1    3   18   15 o  930.174   34.477   21.803   1.5315   20.921   1.8336   23.838   2.7854  900.620   39.600  959.728   56.450 -59.10797 68.95490 
1 1 1    3   18   17 o  811.672   33.520   16.758   1.3369   17.850   2.2829   16.189   1.6493  831.019   53.432  792.324   40.488 38.69458 67.03938 
1 1 1    3   18   19 o  1329.15   27.714   45.537   1.8937   45.128   2.6579   45.960   2.6987  1323.09   39.074  1335.21   39.313 -12.11816 55.42757 
1 1 1    3   18   21 o  2539.18   33.733  165.315   4.1694  170.003   7.2061  162.956   5.1120  2564.34   54.658  2514.01   39.550 50.32080 67.46687 
1 1 1    3   18   23 o  2734.80   27.836  192.908   3.9127  198.316   5.5387  187.520   5.5282  2773.18   38.847  2696.42   39.877 76.76318 55.67133 
1 1 1    3   18   25 o  1748.41   28.017   78.890   2.5164   75.000   3.5475   82.829   3.5701  1704.88   40.472  1791.93   38.752 -87.05811 56.03321 
1 1 1    3   18   27 o  919.254   40.035   21.898   1.8908   20.798   2.6509   23.037   2.6977  895.638   57.570  942.870   55.651 -47.23242 80.07077 
1 1 1    3   18   29 o  706.234   40.447   12.951   1.4610   14.750   2.1008   11.267   2.0331  754.075   54.188  658.394   60.062 95.68073 80.89421 
1 1 1    3   18   31 o  345.975   32.342   3.2107   0.5420   4.0837   0.7625   2.3191   0.7705  397.508   37.308  294.443   52.840 103.0650 64.68325 
1 1 1    3   18   33 o  612.657   28.997   9.7308   0.9133   9.7223   1.2935   9.7393   1.2899  612.380   41.084  612.934   40.931 -0.5548096 57.99391 
1 1 1    3   18   35 o  500.383   29.453   6.5108   0.7572   6.7488   1.0684   6.2705   1.0735  509.690   40.770  491.075   42.518 18.61542 58.90624 
1 1 1    3   18   37 o  734.903   29.290   14.076   1.1062   14.535   1.5629   13.616   1.5658  747.076   40.691  722.730   42.141 24.34564 58.57951 
1 1 1    3   18   39 f  1152.03   58.866   35.275   3.4866   35.275   3.4866   0.0000   0.0000  1152.03   58.866  ?   ?       ?      ? 
1 1 1    3   18   41 o  1090.32   29.489   31.206   1.6509   29.211   2.3202   33.252   2.3496  1054.43   42.799  1126.22   40.579 -71.78870 58.97755 
1 1 1    3   18   43 o  637.517   30.143   10.758   0.9814   9.3164   1.3820   12.225   1.3938  593.217   45.314  681.816   39.761 -88.59900 60.28526 
1 1 1    3   18   45 o  198.946   34.607   1.1000   0.3518   1.1602   0.4933   1.0377   0.5019  204.629   47.758  193.262   50.097 11.36717 69.21387 
1 1 1    3   18   47 o  900.697   30.390   21.602   1.4044   23.358   2.0019   19.901   1.9708  937.778   41.521  863.616   44.387 74.16223 60.78018 
1 1 1    3   18   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   18   51 o  360.396   45.726   4.1625   0.7523   5.0503   0.9414   2.5944   1.2512  432.962   42.293  287.829   81.085 145.1329 91.45222 
1 1 1    3   18   53 o  400.963   48.440   5.3303   0.8594   6.3646   1.0616   3.3643   1.4637  483.501   42.708  318.426   86.958 165.0756 96.87932 
1 1 1    3   18   55 o  223.939   43.011   1.4762   0.4906   1.3333   0.6077   1.7435   0.8312  211.432   55.279  236.445   65.910 -25.01367 86.02222 
1 1 1    3   19    0 o  2889.07   48.685  215.686   7.2268  215.686   7.2268   0.0000   0.0000  2889.07   48.685  2889.07   48.685 0.000000 0.000000 
1 1 1    3   19    2 o  581.978   31.899   8.7452   0.9348   8.6404   1.2029   8.9050   1.4855  578.012   40.479  585.945   49.311 -7.933044 63.79720 
1 1 1    3   19    4 o  680.097   41.996   12.488   1.2240   12.884   1.4023   11.222   2.5082  706.054   38.631  654.140   74.581 51.91486 83.99237 
1 1 1    3   19    6 o  1312.89   47.150   45.147   3.1667   46.758   4.3181   43.273   4.6579  1339.48   62.702  1286.30   70.433 53.17419 94.29916 
1 1 1    3   19    8 o  404.316   72.388   4.3960   1.4495   0.0000   0.0000   4.3960   1.4495  ?   ?   404.316   72.388      ?      ? 
1 1 1    3   19   10 o  1873.46   54.468   90.987   5.2464   0.0000   0.0000   90.987   5.2464  ?   ?   1873.46   54.468      ?      ? 
1 1 1    3   19   12 o  1105.43   39.037   31.633   2.2178   31.878   3.1857   31.403   3.0893  1109.48   55.850  1101.38   54.557 8.098145 78.07480 
1 1 1    3   19   14 o  2501.81   40.895  162.458   5.2293  166.667   7.0790  157.403   7.7584  2538.61   54.238  2465.02   61.218 73.59033 81.78911 
1 1 1    3   19   16 o  2267.64   34.422  134.791   3.7970  126.383   6.4151  139.324   4.7108  2210.64   56.444  2324.64   39.416 -114.0005 68.84441 
1 1 1    3   19   18 o  1401.60   27.862   50.640   2.0074   50.382   2.8107   50.909   2.8681  1397.99   39.106  1405.22   39.699 -7.235718 55.72493 
1 1 1    3   19   20 o  1068.26   27.878   29.427   1.5308   29.710   2.1520   29.136   2.1781  1073.50   38.992  1063.02   39.853 10.48254 55.75512 
1 1 1    3   19   22 o  1761.28   27.838   80.002   2.5207   80.224   3.5515   79.776   3.5782  1763.77   39.165  1758.78   39.572 4.987549 55.67605 
1 1 1    3   19   24 f  615.131   28.174   9.7618   0.8910   9.6998   1.2550   9.8248   1.2652  613.164   39.809  617.097   39.879 -3.932678 56.34829 
1 1 1    3   19   26 o  805.610   39.943   16.822   1.6541   17.128   2.3366   16.515   2.3420  813.016   55.900  798.204   57.069 14.81195 79.88596 
1 1 1    3   19   28 o  608.103   40.692   9.6015   1.2722   9.6146   1.8005   9.5885   1.7978  608.515   57.551  607.691   57.543 0.8242188 81.38385 
1 1 1    3   19   30 o  2119.47   28.364  116.166   3.0899  112.686   4.3544  119.696   4.3854  2087.35   40.575  2151.59   39.645 -64.24609 56.72770 
1 1 1    3   19   32 o  858.869   28.816   19.147   1.2688   20.856   1.7973   17.449   1.7913  897.435   38.955  820.302   42.474 77.13318 57.63217 
1 1 1    3   19   34 o  1163.52   28.849   35.155   1.7257   34.971   2.4354   35.341   2.4458  1160.46   40.820  1166.59   40.778 -6.134399 57.69835 
1 1 1    3   19   36 o  804.710   29.023   16.864   1.2001   16.278   1.6983   17.449   1.6962  790.547   41.785  818.874   40.290 -28.32709 58.04510 
1 1 1    3   19   38 o  241.342   43.407   1.5371   0.5753   2.4830   0.8544   0.7525   0.7782  301.622   57.192  181.062   65.312 120.5602 86.81415 
1 1 1    3   19   40 o  731.017   38.377   14.866   1.3243   12.324   2.2692   16.178   1.6309  676.041   65.287  785.994   40.358 -109.9531 76.75407 
1 1 1    3   19   42 o  345.489   31.314   3.1526   0.5549   3.4353   0.7925   2.8807   0.7772  361.007   42.698  329.970   45.815 31.03683 62.62717 
1 1 1    3   19   44 o  264.997   34.919   1.9422   0.4590   2.4059   0.6435   1.4617   0.6550  301.700   41.484  228.295   56.183 73.40536 69.83883 
1 1 1    3   19   46 o  363.726   31.603   3.5482   0.5784   4.4686   0.8329   2.6909   0.8038  411.029   39.414  316.423   49.411 94.60596 63.20523 
1 1 1    3   19   48 o  116.465   33.614   0.1335   0.3192   0.3075   0.4845   0.0000   0.4244  129.563   50.480  103.366   44.400 26.19707 67.22777 
1 1 1    3   19   50 o  617.586   31.359   10.332   0.9842   12.241   1.4072   8.5057   1.3769  676.070   40.486  559.102   47.901 116.9672 62.71835 
1 1 1    3   19   52 o  390.465   40.031   3.9245   0.7628   3.1420   0.9185   5.6631   1.3691  335.326   53.277  445.605   59.763 -110.2785 80.06260 
1 1 1    3   19   54 o  157.730   33.444   0.4439   0.3230   0.0000   0.3921   1.3811   0.5697   98.086   42.406  217.375   51.727 -119.2898 66.88741 
1 1 1    3   19   56 o  351.094   42.250   3.5576   0.7118   3.1906   0.8718   4.2913   1.2327  333.051   50.916  369.136   67.438 -36.08588 84.50014 
1 1 1    3   20    1 o  993.360   28.260   25.529   1.4396   27.805   2.0469   23.301   2.0251  1037.42   38.377  949.300   41.494 88.12091 56.52029 
1 1 1    3   20    3 o  1081.81   27.901   30.235   1.5517   30.697   2.2098   29.786   2.1794  1089.96   39.433  1073.66   39.482 16.30579 55.80181 
1 1 1    3   20    5 o  634.026   49.258   10.494   1.6048   10.587   2.2399   10.397   2.3005  637.064   68.388  630.987   70.913 6.076904 98.51686 
1 1 1    3   20    7 o  304.764   50.953   2.5265   0.7860   2.6828   1.0850   2.3538   1.1401  314.921   68.927  294.607   75.060 20.31375 101.9060 
1 1 1    3   20    9 o  2023.07   63.930  106.302   6.6495  106.302   6.6495   0.0000   0.0000  2023.07   63.930  ?   ?       ?      ? 
1 1 1    3   20   11 o  1196.65   37.902   36.341   2.1369   35.327   2.5380   38.809   3.9609  1169.98   42.193  1223.32   62.976 -53.34766 75.80408 
1 1 1    3   20   13 o  1295.00   41.724   43.189   2.7627   41.433   3.6882   45.434   4.1700  1265.51   56.686  1324.49   61.238 -58.98462 83.44711 
1 1 1    3   20   15 o  799.984   34.002   16.371   1.3420   17.057   2.2599   15.998   1.6679  812.345   54.111  787.623   41.190 24.72150 68.00471 
1 1 1    3   20   17 o  1892.62   33.908   91.921   3.1506   94.319   5.3452   90.645   3.9001  1910.26   54.426  1874.98   40.459 35.28650 67.81654 
1 1 1    3   20   19 o  1992.78   33.913  101.965   3.3073  104.391   5.6466  100.698   4.0806  2009.41   54.657  1976.15   40.163 33.26331 67.82695 
1 1 1    3   20   21 o  313.721   37.825   2.6551   0.5624   2.3789   0.9384   2.8099   0.7025  297.413   63.313  330.030   41.404 -32.61639 75.64986 
1 1 1    3   20   23 o  1425.12   34.354   52.693   2.3763   51.868   4.0860   53.115   2.9210  1415.38   56.151  1434.87   39.596 -19.48547 68.70804 
1 1 1    3   20   25 o  1207.81   34.739   38.043   2.0280   36.803   3.4999   38.669   2.4883  1191.57   57.130  1224.05   39.540 -32.47974 69.47832 
1 1 1    3   20   27 o  751.746   35.189   14.663   1.2763   14.716   1.5581   14.555   2.2249  754.777   40.153  748.716   57.800 6.060303 70.37789 
1 1 1    3   20   29 o  1038.57   28.477   27.887   1.5191   26.327   2.1326   29.495   2.1646  1008.95   41.111  1068.18   39.415 -59.23541 56.95305 
1 1 1    3   20   31 o  278.901   30.651   2.0169   0.4393   1.9422   0.6175   2.0935   0.6252  273.640   43.891  284.161   42.798 -10.52097 61.30277 
1 1 1    3   20   33 o  642.391   29.078   10.710   0.9600   10.277   1.3444   11.161   1.3712  629.078   41.567  655.704   40.674 -26.62640 58.15668 
1 1 1    3   20   35 o  873.692   29.134   19.868   1.3085   20.182   1.8450   19.551   1.8559  880.740   40.746  866.644   41.652 14.09631 58.26810 
1 1 1    3   20   37 o  1048.95   36.012   29.188   1.8259   28.196   3.1428   29.693   2.2433  1031.15   59.283  1066.76   40.902 -35.61877 72.02407 
1 1 1    3   20   39 o  419.625   46.275   4.8039   0.9565   3.7125   1.3187   6.0160   1.3896  363.878   73.027  475.372   56.857 -111.4938 92.55048 
1 1 1    3   20   41 o  552.433   30.858   8.0959   0.8601   6.2505   1.1988   10.053   1.2346  485.686   48.007  619.181   38.784 -133.4951 61.71634 
1 1 1    3   20   43 o  204.122   33.801   1.1334   0.3571   1.6140   0.5270   0.7253   0.4856  243.529   43.695  164.716   51.583 78.81265 67.60194 
1 1 1    3   20   45 o  464.672   30.484   5.7308   0.7277   6.0431   1.0471   5.4390   1.0121  477.051   42.692  452.293   43.526 24.75723 60.96814 
1 1 1    3   20   47 o  668.055   38.737   12.189   1.2354   12.144   2.1841   12.210   1.4980  659.728   64.394  676.381   43.079 -16.65283 77.47491 
1 1 1    3   20   49 o  613.380   45.183   10.691   1.4075   8.9677   1.9948   12.400   1.9863  558.839   69.428  667.922   57.842 -109.0825 90.36581 
1 1 1    3   20   51 o  361.781   33.070   3.6068   0.6061   4.2659   0.8560   2.9443   0.8582  397.337   41.904  326.226   51.171 71.11075 66.13942 
1 1 1    3   20   53 o  232.786   39.020   1.8537   0.5260   2.5652   0.6379   0.3417   0.9299  307.221   40.386  158.351   66.778 148.8699 78.04059 
1 1 1    3   20   55 o  208.388   37.837   1.4312   0.4716   1.9698   0.5776   0.3539   0.8169  266.823   42.107  149.952   62.879 116.8713 75.67497 
1 1 1    3   21    0 o  1297.65   69.074   43.951   4.5784   43.951   4.5784   0.0000   0.0000  1297.65   69.074  1297.65   69.074 -0.000000 0.000000 
1 1 1    3   21    2 o  221.731   37.788   1.3308   0.4268   1.1740   0.6163   1.4753   0.5917  209.201   56.131  234.260   50.606 -25.05826 75.57590 
1 1 1    3   21    4 o  425.739   34.339   4.6875   0.7512   4.7486   1.0825   4.6307   1.0434  428.381   49.152  423.097   47.966 5.283417 68.67772 
1 1 1    3   21    6 o  563.820   68.666   8.2684   1.9904   8.2684   1.9904   0.0000   0.0000  563.820   68.666  ?   ?       ?      ? 
1 1 1    3   21    8 o  880.040   35.885   19.804   1.5866   19.029   2.0207   21.049   2.5621  858.326   45.791  901.754   55.264 -43.42798 71.77007 
1 1 1    3   21   10 o  344.764   31.549   3.0693   0.5571   2.7302   0.7783   3.4256   0.7978  325.167   46.557  364.362   42.589 -39.19525 63.09848 
1 1 1    3   21   12 o  1171.95   44.521   35.513   2.6792   34.332   3.6783   36.847   3.9101  1151.36   62.140  1192.54   63.775 -41.18665 89.04288 
1 1 1    3   21   14 f  899.788   42.172   21.023   1.9342   21.554   2.5909   20.355   2.9069  913.088   55.192  886.488   63.779 26.60034 84.34418 
1 1 1    3   21   16 o  1502.49   35.901   57.608   2.5570   56.528   3.0572   60.122   4.6646  1480.68   40.160  1524.31   59.521 -43.62646 71.80237 
1 1 1    3   21   18 o  2051.56   35.679  108.592   3.4704  108.375   4.1669  109.083   6.2702  2050.16   39.532  2052.95   59.406 -2.793213 71.35745 
1 1 1    3   21   20 o  769.689   40.802   15.257   1.5999   12.589   2.1836   18.350   2.3508  697.082   60.929  842.297   54.286 -145.2147 81.60406 
1 1 1    3   21   22 o  1116.81   40.256   32.258   2.3099   30.838   3.2031   33.796   3.3340  1091.21   57.095  1142.40   56.765 -51.18616 80.51157 
1 1 1    3   21   24 o  1912.44   39.965   94.402   3.9295   0.0000   0.0000   94.402   3.9295  ?   ?   1912.44   39.965      ?      ? 
1 1 1    3   21   26 o  1007.97   56.633   26.369   2.9349   26.369   2.9349   0.0000   0.0000  1007.97   56.633  ?   ?       ?      ? 
1 1 1    3   21   28 o  780.730   34.626   15.607   1.3217   16.424   2.2749   15.191   1.6239  795.011   55.656  766.449   41.211 28.56195 69.25289 
1 1 1    3   21   30 f  132.902   32.353   0.3883   0.2925   0.0000   0.4634   0.6455   0.3771  109.839   46.767  155.965   44.719 -46.12569 64.70670 
1 1 1    3   21   32 o  390.767   29.791   3.9778   0.5949   3.4642   0.8380   4.4998   0.8447  365.008   44.654  416.526   39.446 -51.51886 59.58141 
1 1 1    3   21   34 o  437.790   31.233   5.0629   0.6785   3.4991   0.9420   6.7483   0.9780  365.716   50.102  509.865   37.308 -144.1494 62.46669 
1 1 1    3   21   36 o  335.330   41.668   3.2666   0.6339   2.4229   1.1012   3.6848   0.7753  294.668   73.050  375.992   40.107 -81.32471 83.33572 
1 1 1    3   21   38 o  551.785   60.386   8.1297   1.7131   8.1297   1.7131   0.0000   0.0000  551.785   60.386  ?   ?       ?      ? 
1 1 1    3   21   40 o  574.902   29.952   8.6923   0.8849   8.3569   1.2455   9.0341   1.2575  563.511   42.989  586.294   41.717 -22.78259 59.90325 
1 1 1    3   21   42 o  651.517   29.983   11.225   1.0026   11.930   1.4156   10.514   1.4202  672.682   40.933  630.352   43.822 42.32922 59.96585 
1 1 1    3   21   44 o  251.484   34.830   1.7733   0.4367   2.3366   0.6111   1.1854   0.6243  297.339   39.978  205.629   57.047 91.70982 69.66091 
1 1 1    3   21   46 o  284.684   34.344   2.2394   0.4822   1.7431   0.6829   2.7330   0.6810  248.707   54.879  320.661   41.308 -71.95409 68.68826 
1 1 1    3   21   48 o  255.672   62.922   1.9000   0.8215   1.9000   0.8215   0.0000   0.0000  255.672   62.922  ?   ?       ?      ? 
1 1 1    3   21   50 o  221.976   34.377   1.3688   0.3961   0.8624   0.5425   1.9470   0.5797  175.230   54.464  268.721   41.961 -93.49112 68.75349 
1 1 1    3   21   52 o  287.507   36.062   2.3950   0.5056   1.5788   0.7126   3.2219   0.7173  230.277   59.697  344.737   40.472 -114.4595 72.12299 
1 1 1    3   21   54 f  274.336   44.546   2.1633   0.5828   1.8683   0.7031   2.8116   1.0422  250.184   56.051  298.489   69.250 -48.30598 89.09158 
1 1 1    3   22    1 o  1340.45   41.086   45.673   2.7182   43.540   3.3637   49.686   4.6145  1297.53   50.424  1383.37   64.881 -85.83569 82.17125 
1 1 1    3   22    3 o  307.464   45.038   2.7134   0.6795   3.3501   0.8680   1.7058   1.0920  360.088   46.886  254.840   76.911 105.2478 90.07600 
1 1 1    3   22    5 o  1014.89   37.103   27.060   1.7424   27.635   2.0687   25.657   3.2325  1035.11   38.872  994.676   63.209 40.43616 74.20551 
1 1 1    3   22    7 o  2642.75   32.160  180.660   4.3609  170.753   6.2404  190.116   6.0968  2571.36   47.204  2714.14   43.691 -142.7786 64.32066 
1 1 1    3   22    9 o  763.648   31.227   15.042   1.2224   16.655   1.7551   13.523   1.7034  803.483   42.488  723.814   45.774 79.66895 62.45384 
1 1 1    3   22   11 o  2552.71   43.990  168.135   5.7332  163.884   7.6275  173.655   8.6923  2516.69   58.950  2588.72   65.310 -72.02637 87.97991 
1 1 1    3   22   13 f  1429.69   35.163   52.634   2.4734   53.305   4.1633   52.268   3.0749  1435.78   56.400  1423.61   42.011 12.17651 70.32681 
1 1 1    3   22   15 o  1007.44   29.040   26.155   1.5024   24.428   2.0969   27.977   2.1536  973.227   41.907  1041.66   40.214 -68.43127 58.08071 
1 1 1    3   22   17 o  363.724   29.721   3.4221   0.5498   2.8031   0.7655   4.0817   0.7902  329.559   45.180  397.890   38.630 -68.33148 59.44296 
1 1 1    3   22   19 o  914.802   35.887   21.449   1.5600   21.162   1.8713   22.105   2.8246  905.758   40.185  923.846   59.469 -18.08777 71.77310 
1 1 1    3   22   21 o  1689.18   35.595   74.269   2.8617   75.100   3.4585   72.466   5.0960  1706.16   39.428  1672.20   59.275 33.96582 71.19019 
1 1 1    3   22   23 o  1307.32   40.501   44.234   2.7190   41.393   3.7705   47.311   3.9248  1263.51   58.042  1351.13   56.501 -87.61511 81.00143 
1 1 1    3   22   25 o  369.663   42.420   3.5317   0.8062   3.5317   0.8062   0.0000   0.0000  369.663   42.420  ?   ?       ?      ? 
1 1 1    3   22   27 o  823.089   40.742   17.610   1.7194   15.924   2.3989   19.391   2.4658  782.256   59.647  863.922   55.515 -81.66663 81.48433 
1 1 1    3   22   29 o  667.515   41.646   11.636   1.4287   11.901   2.0111   11.366   2.0301  675.352   57.920  659.678   59.858 15.67407 83.29298 
1 1 1    3   22   31 o  1359.75   35.438   48.703   2.3332   46.663   3.9979   49.756   2.8732  1334.59   58.266  1384.91   40.354 -50.31287 70.87518 
1 1 1    3   22   33 o  840.747   36.278   18.863   1.4627   17.443   2.5264   19.579   1.7940  813.581   60.399  867.912   40.205 -54.33118 72.55695 
1 1 1    3   22   35 o  1026.73   35.901   27.790   1.7803   27.371   3.0856   28.000   2.1797  1017.07   59.009  1036.38   40.908 -19.31024 71.80200 
1 1 1    3   22   37 o  153.320   55.965   0.5175   0.5738   0.5175   0.5738   0.0000   0.0000  153.320   55.965  ?   ?       ?      ? 
1 1 1    3   22   39 f  490.288   40.745   6.9169   0.9220   5.1465   1.5793   7.8321   1.1355  434.126   70.760  546.450   40.418 -112.3235 81.49035 
1 1 1    3   22   41 o  862.876   35.750   19.300   1.5108   21.742   2.6229   18.087   1.8481  898.443   56.784  827.309   43.450 71.13416 71.50079 
1 1 1    3   22   43 o  730.970   30.131   14.190   1.1291   15.332   1.5929   13.037   1.6008  761.564   40.683  700.377   44.457 61.18707 60.26270 
1 1 1    3   22   45 o  732.265   30.304   14.270   1.1407   14.121   1.5962   14.426   1.6307  728.495   42.618  736.034   43.094 -7.539001 60.60892 
1 1 1    3   22   47 o  445.452   63.612   5.5618   1.4568   5.5618   1.4568   0.0000   0.0000  445.452   63.612  ?   ?       ?      ? 
1 1 1    3   22   49 o  169.301   34.415   0.8019   0.3164   0.8906   0.4532   0.7176   0.4419  177.663   48.332  160.939   49.006 16.72334 68.82986 
1 1 1    3   22   51 o  650.851   31.451   11.579   1.0518   11.214   1.4928   11.940   1.4823  639.865   45.377  661.838   43.561 -21.97247 62.90187 
1 1 1    3   22   53 o  301.837   36.381   2.6359   0.5441   2.9477   0.7481   2.2856   0.7929  326.382   44.581  277.292   57.506 49.08963 72.76237 
1 1 1    3   23    0 o  735.330   51.077   14.391   1.8838   15.251   2.6525   13.515   2.6760  759.131   69.288  711.530   75.064 -0.000000 0.000000 
1 1 1    3   23    2 o  374.414   33.218   3.6939   0.6222   4.0139   0.8146   3.2458   0.9641  394.504   40.162  354.325   52.922 40.17859 66.43587 
1 1 1    3   23    4 o  959.578   28.170   23.736   1.3890   24.829   1.9849   22.686   1.9445  981.257   39.344  937.899   40.326 43.35767 56.33965 
1 1 1    3   23    6 o  2933.49   32.998  222.063   4.9756  226.296   7.1305  218.045   6.9461  2960.68   46.845  2906.30   46.487 54.38208 65.99599 
1 1 1    3   23    8 o  1596.41   41.256   65.171   3.1204   63.998   3.7304   67.903   5.6942  1574.69   46.078  1618.12   68.447 -43.43738 82.51169 
1 1 1    3   23   10 o  790.899   45.075   15.891   1.8152   13.734   2.3831   18.873   2.8016  728.197   63.653  853.602   63.839 -125.4044 90.15019 
1 1 1    3   23   12 o  1204.92   36.643   38.395   2.1414   34.703   3.6009   40.414   2.6635  1157.97   60.484  1251.87   41.383 -93.89978 73.28619 
1 1 1    3   23   14 o  974.534   29.568   24.521   1.4798   25.384   2.0707   23.621   2.1155  992.158   40.595  956.909   43.001 35.24927 59.13550 
1 1 1    3   23   16 o  1246.34   29.060   40.061   1.8618   39.812   2.6060   40.322   2.6608  1242.40   40.798  1250.27   41.395 -7.871460 58.12045 
1 1 1    3   23   18 o  341.782   36.073   2.8286   0.6037   3.6602   1.0710   2.4414   0.7308  376.098   55.386  307.467   46.232 68.63031 72.14607 
1 1 1    3   23   20 o  406.662   29.341   4.2648   0.6130   4.0432   0.8547   4.4996   0.8797  395.771   42.003  417.553   40.979 -21.78262 58.68119 
1 1 1    3   23   22 o  2378.27   34.428  144.071   4.0079  153.479   6.9006  139.282   4.9235  2433.93   55.146  2322.62   41.231 111.3091 68.85504 
1 1 1    3   23   24 o  425.803   33.517   4.2352   0.6971   3.1495   0.8454   6.5416   1.2321  348.865   47.132  502.741   47.668 -153.8757 67.03482 
1 1 1    3   23   26 o  1033.98   40.920   27.811   2.1740   28.113   3.0315   27.492   3.1192  1039.99   56.698  1027.97   59.019 12.01575 81.84060 
1 1 1    3   23   28 o  739.788   34.870   13.598   1.2550   12.426   1.5168   16.140   2.2343  692.486   42.605  787.090   55.214 -94.60431 69.74062 
1 1 1    3   23   30 o  1046.37   35.913   28.850   1.8068   29.434   2.2095   27.671   3.1392  1065.25   40.343  1027.49   59.425 37.75562 71.82571 
1 1 1    3   23   32 o  625.961   36.944   10.275   1.1102   10.305   1.3499   10.210   1.9518  629.462   41.713  622.460   60.989 7.001709 73.88889 
1 1 1    3   23   34 o  600.811   35.337   9.0595   1.0413   8.1955   1.2687   10.842   1.8225  560.185   44.053  641.437   55.264 -81.25146 70.67306 
1 1 1    3   23   36 o  494.001   59.638   6.4963   1.5147   6.4963   1.5147   0.0000   0.0000  494.001   59.638  ?   ?       ?      ? 
1 1 1    3   23   38 o  1056.78   42.589   30.004   2.3104   31.555   3.2476   28.415   3.2874  1085.97   58.167  1027.60   62.225 58.37354 85.17875 
1 1 1    3   23   40 o  291.962   37.330   2.0766   0.5188   3.0753   0.9544   1.6579   0.6180  338.624   54.821  245.300   50.682 93.32384 74.65942 
1 1 1    3   23   42 o  888.986   37.171   21.347   1.5938   20.958   2.7590   21.541   1.9526  875.835   61.272  902.137   42.099 -26.30145 74.34133 
1 1 1    3   23   44 f  217.051   40.140   1.2780   0.4336   1.5121   0.7534   1.1620   0.5301  230.247   62.186  203.856   50.771 26.39014 80.27927 
1 1 1    3   23   46 o  155.613   53.870   0.6156   0.5252   0.0000   0.0000   0.6156   0.5252  ?   ?   155.613   53.870      ?      ? 
1 1 1    3   23   48 o  254.979   40.523   1.8503   0.5019   1.9393   0.8400   1.8009   0.6260  256.932   63.869  253.027   49.891 3.904709 81.04540 
1 1 1    3   23   50 o  125.515   32.532   0.3601   0.2879   0.0000   0.5054   0.5332   0.3504  111.148   48.100  139.881   43.816 -28.73235 65.06458 
1 1 1    3   23   52 o  656.747   41.979   12.954   1.2958   11.057   2.2189   13.937   1.5963  601.576   71.742  711.919   43.614 -110.3428 83.95867 
1 1 1    3   23   54 o  301.919   32.921   2.5719   0.5107   2.6539   0.7204   2.4891   0.7242  307.304   45.594  296.533   47.501 10.77097 65.84171 
1 1 1    3   24    1 o  582.444   32.116   8.8179   0.9415   9.0852   1.2239   8.4304   1.4737  593.585   40.104  571.303   50.173 22.28210 64.23142 
1 1 1    3   24    3 o  3534.04   28.348  321.984   5.1502  326.685   7.3352  317.413   7.2329  3559.48   40.082  3508.60   40.097 50.87793 56.69525 
1 1 1    3   24    5 o  969.095   32.491   24.479   1.5706   25.300   2.0113   23.196   2.5140  990.626   39.492  947.564   51.605 43.06128 64.98225 
1 1 1    3   24    7 o  1222.69   43.558   39.481   2.4964   40.682   2.9979   36.763   4.5089  1255.49   46.444  1189.89   73.704 65.60498 87.11678 
1 1 1    3   24    9 o  2436.85   37.867  153.623   4.4989  152.944   7.6880  153.977   5.5480  2430.70   61.519  2443.01   44.172 -12.31104 75.73485 
1 1 1    3   24   11 o  734.486   31.294   13.928   1.1809   13.599   1.6888   14.242   1.6518  725.934   45.249  743.038   43.240 -17.10327 62.58777 
1 1 1    3   24   13 o  1187.12   30.110   36.357   1.8375   35.851   2.6009   36.861   2.5965  1178.85   42.913  1195.39   42.248 -16.54663 60.21961 
1 1 1    3   24   15 o  829.616   29.593   17.763   1.2584   15.998   1.7606   19.606   1.7993  787.346   43.493  871.886   40.140 -84.54059 59.18530 
1 1 1    3   24   17 o  1653.07   29.119   70.467   2.4738   67.791   3.4561   73.277   3.5423  1620.87   41.474  1685.27   40.884 -64.39856 58.23714 
1 1 1    3   24   19 o  409.077   30.329   4.3267   0.6355   4.8022   0.9053   3.8647   0.8922  431.351   40.822  386.803   44.866 44.54877 60.65815 
1 1 1    3   24   21 o  819.730   36.063   17.411   1.4280   17.333   2.4855   17.449   1.7448  817.400   59.143  822.060   41.282 -4.660400 72.12550 
1 1 1    3   24   23 o  685.528   34.750   12.135   1.1587   12.065   1.4226   12.274   1.9970  683.380   40.491  687.675   56.485 -4.294250 69.49924 
1 1 1    3   24   25 o  852.499   41.061   18.824   1.7953   17.156   2.4573   20.733   2.6292  812.025   58.859  892.974   57.268 -80.94830 82.12206 
1 1 1    3   24   27 o  1879.71   28.634   91.495   2.7669   91.990   3.8901   90.988   3.9364  1884.97   40.140  1874.45   40.846 10.52283 57.26842 
1 1 1    3   24   29 o  677.697   29.351   11.936   1.0193   10.779   1.4354   13.114   1.4477  644.215   43.339  711.179   39.593 -66.96423 58.70208 
1 1 1    3   24   31 o  821.859   29.082   17.565   1.2281   18.289   1.7392   16.845   1.7344  838.932   40.323  804.785   41.918 34.14728 58.16430 
1 1 1    3   24   33 o  890.127   29.277   20.648   1.3397   20.310   1.8850   20.993   1.9045  882.729   41.535  897.524   41.273 -14.79486 58.55483 
1 1 1    3   24   35 o  1159.46   59.105   35.740   3.5233   35.740   3.5233   0.0000   0.0000  1159.46   59.105  ?   ?       ?      ? 
1 1 1    3   24   37 o  220.493   45.752   1.3471   0.5600   1.5837   0.7606   1.0672   0.8274  238.506   61.600  202.480   67.663 36.02530 91.50369 
1 1 1    3   24   39 o  815.879   38.931   18.670   1.4895   20.223   1.8235   15.557   2.5820  876.937   40.446  754.820   66.534 122.1174 77.86272 
1 1 1    3   24   41 o  430.176   47.304   5.8675   0.8754   7.1133   1.0789   3.4671   1.4977  519.148   40.424  341.204   85.537 177.9436 94.60818 
1 1 1    3   24   43 o  988.710   36.172   25.228   1.7465   22.977   2.1206   29.974   3.0790  928.673   44.414  1048.75   57.105 -120.0741 72.34369 
1 1 1    3   24   45 o  949.253   43.859   25.042   2.1378   26.454   3.0298   23.642   3.0168  977.898   60.263  920.609   63.739 57.28876 87.71712 
1 1 1    3   24   47 o  622.081   45.177   10.954   1.4436   11.252   2.0224   10.644   2.0613  632.190   62.224  611.973   65.515 20.21661 90.35471 
1 1 1    3   24   49 o  441.862   51.903   5.9013   1.1099   7.9659   1.6051   4.0097   1.5364  530.429   58.860  353.294   85.507 177.1351 103.8067 
1 1 1    3   24   51 o  216.298   40.827   1.4527   0.4695   1.0272   0.7760   1.6984   0.5897  189.016   65.478  243.581   48.786 -54.56465 81.65487 
1 1 1    3   24   53 o  204.102   41.550   1.2945   0.4620   1.0623   0.7462   1.4388   0.5884  188.134   64.253  220.070   52.699 -31.93565 83.10027 
1 1 1    3   25    0 o  2035.39   49.481  107.314   5.1628  110.564   7.3748  104.190   7.2300  2065.79   69.617  2004.99   70.335 0.000000 0.000000 
1 1 1    3   25    2 o  585.770   32.923   8.8846   0.9699   8.9981   1.2523   8.7147   1.5330  590.708   41.236  580.833   51.335 9.875549 65.84652 
1 1 1    3   25    4 o  1182.60   33.613   37.210   1.9605   40.891   2.5234   31.605   3.1141  1259.45   38.970  1105.75   54.778 153.7070 67.22590 
1 1 1    3   25    6 o  1795.96   49.196   84.299   4.5022   90.037   6.1156   77.509   6.6524  1864.48   63.799  1727.45   74.904 137.0266 98.39130 
1 1 1    3   25    8 o  1268.16   45.437   41.502   2.9625   0.0000   0.0000   41.502   2.9625  ?   ?   1268.16   45.437      ?      ? 
1 1 1    3   25   10 o  1937.90   31.563   96.923   3.1436   96.324   4.4982   97.495   4.3951  1931.93   45.287  1943.86   43.978 -11.92932 63.12684 
1 1 1    3   25   12 o  1385.82   30.700   49.557   2.1871   49.416   3.1102   49.695   3.0762  1383.83   43.716  1387.81   43.114 -3.976196 61.39934 
1 1 1    3   25   14 o  1075.13   30.208   29.841   1.6687   28.597   2.3595   31.086   2.3603  1052.61   43.599  1097.64   41.825 -45.02527 60.41700 
1 1 1    3   25   16 o  861.326   29.841   19.148   1.3187   17.561   1.8458   20.803   1.8848  824.757   43.530  897.895   40.829 -73.13757 59.68107 
1 1 1    3   25   18 o  764.015   29.563   15.066   1.1611   14.756   1.6268   15.386   1.6576  756.027   41.854  772.004   41.762 -15.97656 59.12534 
1 1 1    3   25   20 o  1375.29   36.466   49.209   2.4121   48.281   4.2176   49.659   2.9405  1363.85   60.149  1386.72   41.244 -22.86853 72.93111 
1 1 1    3   25   22 o  1147.73   35.173   34.589   1.9564   35.595   2.4154   32.671   3.3359  1173.84   40.024  1121.62   57.849 52.21973 70.34503 
1 1 1    3   25   24 o  721.540   41.872   13.596   1.5473   14.260   2.1323   12.858   2.2487  740.687   55.994  702.393   62.270 38.29370 83.74322 
1 1 1    3   25   26 o  1701.68   28.805   74.955   2.5186   71.355   3.5237   78.716   3.6011  1659.75   41.294  1743.61   40.172 -83.85950 57.61032 
1 1 1    3   25   28 o  1058.52   28.927   29.068   1.5741   29.030   2.2113   29.108   2.2413  1057.87   40.657  1059.17   41.160 -1.306030 57.85433 
1 1 1    3   25   30 o  584.074   29.906   8.8893   0.8956   9.6436   1.2665   8.1351   1.2665  609.191   40.439  558.958   44.071 50.23297 59.81252 
1 1 1    3   25   32 o  665.995   29.796   11.592   1.0157   10.310   1.4324   12.887   1.4404  628.385   44.338  703.606   39.817 -75.22180 59.59221 
1 1 1    3   25   34 o  711.432   41.989   13.463   1.5343   12.847   2.1769   14.071   2.1627  694.625   60.958  728.240   57.763 -33.61469 83.97881 
1 1 1    3   25   36 o  274.403   47.285   2.0794   0.6574   1.8318   0.8702   2.4085   1.0034  255.853   65.788  292.953   67.937 -37.09979 94.56998 
1 1 1    3   25   38 o  492.564   30.398   6.3943   0.7697   6.2503   1.0814   6.5421   1.0957  486.885   43.202  498.242   42.775 -11.35712 60.79618 
1 1 1    3   25   40 o  530.592   30.731   7.4736   0.8351   6.7540   1.1821   8.1907   1.1800  504.244   45.599  556.941   41.209 -52.69647 61.46113 
1 1 1    3   25   42 o  721.069   30.709   13.858   1.1304   11.919   1.5866   15.858   1.6109  668.130   46.188  774.008   40.482 -105.8787 61.41709 
1 1 1    3   25   44 o  367.668   32.193   3.6476   0.5949   2.7544   0.8285   4.5985   0.8548  319.123   50.497  416.214   39.946 -97.09155 64.38674 
1 1 1    3   25   46 o  697.174   43.483   13.057   1.5586   13.057   1.5586   0.0000   0.0000  697.174   43.483  ?   ?       ?      ? 
1 1 1    3   25   48 o  156.336   38.779   0.5178   0.3701   0.3016   0.4455   0.9992   0.6648  124.935   48.479  187.736   60.539 -62.80146 77.55762 
1 1 1    3   25   50 o  275.359   43.252   2.3802   0.5896   2.7373   0.7328   1.7243   0.9930  315.663   45.151  235.055   73.786 80.60719 86.50434 
1 1 1    3   25   52 o  169.274   36.943   0.8849   0.4046   1.2410   0.4791   0.0000   0.7553  207.441   46.119  131.107   57.725 76.33430 73.88644 
1 1 1    3   26    1 o  647.953   50.832   10.893   1.6908   10.100   2.3640   11.724   2.4193  623.653   73.728  672.253   69.998 -48.60089 101.6634 
1 1 1    3   26    3 o  1530.61   43.251   61.529   3.2293   57.763   5.4247   63.596   4.0190  1492.00   70.719  1569.22   49.815 -77.22156 86.50268 
1 1 1    3   26    5 o  664.453   41.422   11.909   1.2064   10.483   2.3836   12.400   1.3988  635.380   72.966  693.527   39.232 -58.14618 82.84438 
1 1 1    3   26    7 o  1046.81   33.431   28.375   1.7936   26.217   2.5635   30.444   2.5105  1007.50   49.490  1086.12   44.959 -78.62518 66.86239 
1 1 1    3   26    9 o  508.337   33.412   6.6655   0.8703   7.4401   1.2542   5.9460   1.2087  536.879   45.437  479.794   49.000 57.08481 66.82440 
1 1 1    3   26   11 o  1441.01   31.370   53.577   2.3236   54.860   3.3242   52.352   3.2493  1457.86   44.351  1424.15   44.377 33.71313 62.74034 
1 1 1    3   26   13 o  1796.80   30.667   83.348   2.8325   82.071   4.0203   84.607   3.9914  1783.04   43.855  1810.55   42.879 -27.51270 61.33433 
1 1 1    3   26   15 o  697.582   30.688   12.563   1.1004   12.906   1.5657   12.227   1.5468  707.036   43.074  688.128   43.723 18.90881 61.37602 
1 1 1    3   26   17 o  1410.93   29.710   51.406   2.1548   51.663   3.0258   51.141   3.0695  1414.57   41.605  1407.29   42.425 7.281738 59.42040 
1 1 1    3   26   19 o  1799.44   41.327   84.013   3.8091   84.243   5.6374   83.819   5.1671  1800.99   60.884  1797.90   55.900 3.088501 82.65346 
1 1 1    3   26   21 o  1182.35   34.210   35.655   1.9929   34.366   2.4660   38.081   3.3838  1153.13   41.596  1211.57   54.323 -58.44373 68.41946 
1 1 1    3   26   23 o  685.773   42.110   12.152   1.4790   11.041   1.9926   13.516   2.2069  651.129   59.523  720.418   59.583 -69.28955 84.22073 
1 1 1    3   26   25 o  1078.73   29.170   30.175   1.6161   31.371   2.2692   28.944   2.3022  1100.67   40.101  1056.80   42.373 43.87598 58.34000 
1 1 1    3   26   27 o  840.611   29.201   18.334   1.2619   18.105   1.7697   18.571   1.7998  835.281   41.210  845.941   41.383 -10.66016 58.40222 
1 1 1    3   26   29 o  500.950   30.173   6.5388   0.7752   7.0701   1.0972   6.0092   1.0954  521.540   40.918  480.359   44.354 41.18088 60.34515 
1 1 1    3   26   31 o  1218.02   29.374   38.756   1.8313   43.052   2.5957   34.500   2.5840  1286.27   39.251  1149.78   43.712 136.4900 58.74850 
1 1 1    3   26   33 o  1032.27   35.933   27.753   1.8072   29.061   3.1250   27.095   2.2152  1046.54   58.081  1018.00   42.324 28.53290 71.86562 
1 1 1    3   26   35 o  981.893   36.306   25.052   1.7225   24.162   2.0888   26.943   3.0453  959.741   42.333  1004.04   58.994 -44.30365 72.61124 
1 1 1    3   26   37 o  968.011   29.641   24.664   1.4749   25.167   2.0839   24.159   2.0877  978.164   41.438  957.858   42.393 20.30579 59.28118 
1 1 1    3   26   39 o  205.389   32.935   1.1491   0.3838   1.9749   0.5442   0.3315   0.5415  273.970   38.634  136.807   53.349 137.1629 65.86939 
1 1 1    3   26   41 o  1077.61   30.106   30.823   1.6675   31.535   2.3547   30.107   2.3618  1090.55   41.998  1064.67   43.148 25.87476 60.21263 
1 1 1    3   26   43 o  601.732   31.438   9.7149   0.9596   7.8466   1.3398   11.682   1.3749  540.038   48.256  663.426   40.309 -123.3876 62.87647 
1 1 1    3   26   45 o  492.191   47.947   6.9808   1.1520   8.7665   1.6511   5.2872   1.6081  563.162   57.027  421.220   77.095 141.9416 95.89470 
1 1 1    3   26   47 o  864.196   31.440   20.263   1.3886   17.647   1.9447   22.984   1.9833  804.599   47.012  923.792   41.759 -119.1938 62.87999 
1 1 1    3   26   49 o  438.815   32.049   5.2893   0.7216   5.5164   1.0059   5.0486   1.0357  449.609   43.516  428.021   47.064 21.58838 64.09862 
1 1 1    3   26   51 o   87.703   25.603   0.0838   0.1838   0.0000   0.3106   0.1290   0.2281   87.795   37.850   87.610   34.489 0.1851044 51.20642 
1 1 1    3   27    0 o  1315.02   50.272   45.078   3.3745   45.969   4.7353   44.158   4.8102  1328.68   69.759  1301.36   72.408 -0.000000 0.000000 
1 1 1    3   27    2 o  1278.01   31.809   41.725   2.0540   44.402   3.2609   39.964   2.6445  1311.25   48.371  1244.76   41.323 66.48315 63.61895 
1 1 1    3   27    4 o  856.276   28.906   18.943   1.2703   17.899   1.8127   19.951   1.7807  832.945   42.329  879.607   39.375 -46.66187 57.81157 
1 1 1    3   27    6 o  2535.01   28.147  165.866   3.6653  160.090   5.2251  171.462   5.1430  2491.31   40.794  2578.70   38.792 -87.38843 56.29385 
1 1 1    3   27    8 o  1094.47   33.023   30.908   1.8574   31.956   2.6722   29.928   2.5837  1112.41   46.723  1076.53   46.682 35.87927 66.04700 
1 1 1    3   27   10 o  1757.31   32.082   79.751   2.8977   79.264   4.1414   80.218   4.0559  1751.95   45.979  1762.68   44.756 -10.72314 64.16485 
1 1 1    3   27   12 o  1921.73   31.363   95.467   3.0952   91.563   4.4170   99.234   4.3386  1882.83   45.630  1960.63   43.041 -77.79773 62.72630 
1 1 1    3   27   14 o  384.683   33.861   3.8548   0.6643   3.3832   0.9564   4.2943   0.9233  361.614   51.442  407.753   44.045 -46.13870 67.72169 
1 1 1    3   27   16 o  606.280   31.138   9.5112   0.9685   8.8148   1.3717   10.203   1.3677  584.000   45.686  628.560   42.322 -44.56018 62.27605 
1 1 1    3   27   18 o  650.343   42.503   10.863   1.4096   11.950   2.1671   10.066   1.8559  677.985   62.171  622.701   57.971 55.28387 85.00509 
1 1 1    3   27   20 o  1648.51   29.496   70.252   2.4994   70.636   3.5053   69.856   3.5649  1653.19   41.241  1643.82   42.181 9.364624 58.99234 
1 1 1    3   27   22 o  950.957   42.791   23.677   2.0746   24.493   2.7901   22.667   3.1026  970.328   55.929  931.585   64.779 38.74371 85.58295 
1 1 1    3   27   24 o  2099.24   29.227  114.166   3.1540  112.809   4.4185  115.576   4.5035  2086.58   41.188  2111.91   41.476 -25.32788 58.45309 
1 1 1    3   27   26 f  1077.78   29.322   30.142   1.6244   29.757   2.2689   30.548   2.3268  1070.77   41.213  1084.79   41.719 -14.01843 58.64333 
1 1 1    3   27   28 f  1758.46   29.154   80.369   2.6343   76.690   3.6920   84.185   3.7598  1717.19   41.819  1799.74   40.633 -82.54907 58.30898 
1 1 1    3   27   30 o  1017.51   29.493   27.005   1.5410   28.451   2.1772   25.553   2.1816  1045.23   40.515  989.801   42.870 55.42651 58.98545 
1 1 1    3   27   32 o  387.060   37.313   3.7493   0.7131   4.6992   1.2349   3.2742   0.8734  421.094   57.039  353.025   48.121 68.06882 74.62623 
1 1 1    3   27   34 o  480.261   44.127   6.8139   0.9240   7.7249   1.1239   4.9135   1.6233  543.234   40.241  417.287   78.546 125.9472 88.25379 
1 1 1    3   27   36 o  894.611   29.930   21.065   1.3766   21.016   1.9383   21.115   1.9553  893.628   42.189  895.594   42.466 -1.966064 59.86073 
1 1 1    3   27   38 o  410.877   31.737   4.4770   0.6679   3.9951   0.9337   4.9820   0.9558  387.668   46.848  434.086   42.829 -46.41760 63.47481 
1 1 1    3   27   40 o  598.135   30.965   9.5102   0.9519   9.7117   1.3402   9.3050   1.3524  604.839   43.097  591.432   44.476 13.40717 61.93089 
1 1 1    3   27   42 o  489.212   34.008   6.6351   0.8076   9.0404   1.1424   4.2329   1.1417  584.775   37.998  393.649   56.412 191.1260 68.01604 
1 1 1    3   27   44 o  510.922   48.070   7.4772   1.1845   9.9724   1.7269   5.2605   1.6277  602.026   55.795  419.819   78.294 182.2060 96.14053 
1 1 1    3   27   46 o  481.066   46.931   7.3319   0.9766   4.9001   1.6616   8.6151   1.2070  396.022   84.203  566.110   41.470 -170.0886 93.86106 
1 1 1    3   27   48 o  407.548   31.855   4.5431   0.6674   4.5174   0.9497   4.5680   0.9381  406.180   45.477  408.917   44.619 -2.736755 63.71093 
1 1 1    3   27   50 o  622.446   32.232   10.737   1.0274   9.5809   1.4343   11.955   1.4724  585.994   47.607  658.899   43.465 -72.90588 64.46483 
1 1 1    3   27   52 o  226.915   38.614   1.5696   0.4426   1.6656   0.5804   1.4362   0.6841  238.436   48.987  215.394   59.703 23.04190 77.22784 
1 1 1    3   28    1 o  1722.32   35.102   76.659   3.1078   75.470   4.4037   77.839   4.3866  1708.92   50.122  1735.72   49.156 -26.79419 70.20356 
1 1 1    3   28    3 o  1873.81   28.822   90.565   2.7762   92.787   3.9489   88.392   3.9039  1896.58   40.498  1851.03   41.022 45.54871 57.64455 
1 1 1    3   28    5 f  837.376   28.928   18.083   1.2451   18.660   1.7791   17.529   1.7431  850.478   40.687  824.275   41.133 26.20306 57.85647 
1 1 1    3   28    7 o  1206.23   31.298   37.876   1.9084   39.463   2.5120   35.710   2.9349  1236.89   39.501  1175.57   48.559 61.32202 62.59686 
1 1 1    3   28    9 o  2611.30   32.871  176.230   4.4105  173.520   6.3175  178.808   6.1602  2591.44   47.417  2631.15   45.539 -39.71460 65.74293 
1 1 1    3   28   11 o  2274.25   31.910  133.580   3.7305  135.655   5.3291  131.586   5.2241  2291.53   45.233  2256.96   45.021 34.57666 63.81946 
1 1 1    3   28   13 o  351.582   34.159   3.1990   0.6168   3.1221   0.8858   3.2715   0.8594  347.420   49.591  355.744   46.990 -8.324554 68.31760 
1 1 1    3   28   15 o  1031.35   40.560   27.627   1.9604   27.499   3.6043   27.680   2.3361  1027.75   68.212  1034.95   43.904 -7.201904 81.11983 
1 1 1    3   28   17 o  822.345   43.506   17.695   1.8135   16.863   2.7708   18.318   2.3986  804.469   66.992  840.222   55.526 -35.75311 87.01242 
1 1 1    3   28   19 o  1016.02   30.023   26.682   1.5677   25.725   2.1916   27.685   2.2435  997.333   42.742  1034.71   42.174 -37.37805 60.04572 
1 1 1    3   28   21 o  252.431   47.604   1.7937   0.6505   2.2758   0.8407   1.0745   1.0269  290.549   58.307  214.313   75.265 76.23636 95.20763 
1 1 1    3   28   23 o  752.666   29.862   14.683   1.1544   13.782   1.6151   15.624   1.6505  728.942   43.095  776.389   41.350 -47.44641 59.72442 
1 1 1    3   28   25 o  1301.62   29.601   44.046   1.9780   46.494   2.7863   41.559   2.8084  1338.54   40.488  1264.70   43.192 73.84241 59.20187 
1 1 1    3   28   27 f  977.579   29.546   24.836   1.4839   23.536   2.0684   26.215   2.1299  951.105   42.300  1004.05   41.261 -52.94775 59.09152 
1 1 1    3   28   29 o  300.008   36.044   2.4850   0.5178   3.6852   0.7456   1.3671   0.7196  376.391   38.529  223.626   60.928 152.7659 72.08817 
1 1 1    3   28   31 o  338.448   43.640   3.3467   0.6709   2.4981   1.1796   3.7524   0.8157  297.984   76.580  378.913   41.870 -80.92914 87.27914 
1 1 1    3   28   33 o  532.307   42.473   7.4319   1.1624   7.4319   1.1624   0.0000   0.0000  532.307   42.473  ?   ?       ?      ? 
1 1 1    3   28   35 o  582.522   37.097   8.9391   1.0589   9.3833   1.8087   8.7075   1.3061  590.435   59.582  574.609   44.211 15.82605 74.19322 
1 1 1    3   28   37 o  504.228   31.304   6.7468   0.8095   7.1924   1.1362   6.2875   1.1536  521.797   42.354  486.659   46.107 35.13821 62.60775 
1 1 1    3   28   39 o  207.852   34.402   1.1806   0.3953   1.8603   0.5626   0.5179   0.5555  265.108   41.275  150.596   55.048 114.5117 68.80342 
1 1 1    3   28   41 o  293.775   36.048   2.3811   0.5257   1.9398   0.7420   2.8261   0.7450  262.186   56.696  325.363   44.536 -63.17703 72.09641 
1 1 1    3   28   43 o  175.277   42.123   0.7282   0.4767   1.2436   0.7114   0.3082   0.6422  208.765   61.870  141.788   57.181 66.97704 84.24673 
1 1 1    3   28   45 f  484.271   47.083   6.7326   1.1694   7.1370   1.6414   6.3160   1.6663  501.176   63.704  467.366   69.348 33.80957 94.16639 
1 1 1    3   28   47 o  338.381   33.046   3.1326   0.5712   2.6907   0.7883   3.6214   0.8290  312.197   49.111  364.564   44.229 -52.36728 66.09122 
1 1 1    3   28   49 o  428.935   33.981   5.1412   0.7304   6.5902   1.0585   3.8245   1.0091  490.819   41.947  367.051   53.471 123.7682 67.96154 
1 1 1    3   28   51 o  103.433   29.495   0.1367   0.2458   0.0000   0.3330   0.3005   0.3645   90.368   39.075  116.499   44.193 -26.13101 58.99021 
1 1 1    3   29    0 o  2223.55   50.154  128.397   5.7102  120.941   8.1276  135.666   8.0243  2158.82   73.420  2288.27   68.345 0.000000 0.000000 
1 1 1    3   29    2 o  1719.87   28.933   76.325   2.5583   76.441   3.6227   76.209   3.6133  1721.17   40.939  1718.56   40.895 2.606079 57.86582 
1 1 1    3   29    4 o  2310.17   28.910  137.783   3.4320  134.277   4.8851  141.200   4.8227  2280.97   41.656  2339.37   40.098 -58.40161 57.81981 
1 1 1    3   29    6 f  463.896   32.947   5.4415   0.7744   4.3223   1.0216   6.9533   1.1873  408.915   48.592  518.877   44.508 -109.9622 65.89499 
1 1 1    3   29    8 o  1098.84   33.817   31.267   1.9071   29.692   2.7289   32.770   2.6663  1071.53   49.535  1126.14   46.051 -54.60803 67.63479 
1 1 1    3   29   10 o  1534.76   32.515   60.860   2.5651   61.584   3.6705   60.170   3.5862  1543.62   46.250  1525.89   45.713 17.72754 65.02920 
1 1 1    3   29   12 f  1324.86   31.939   45.347   2.1750   46.367   3.1158   44.378   3.0376  1339.37   45.248  1310.35   45.090 29.02393 63.87834 
1 1 1    3   29   14 o  1438.24   40.661   53.541   2.7329   54.055   5.0661   53.330   3.2457  1440.22   68.419  1436.26   43.955 3.951660 81.32137 
1 1 1    3   29   16 f  624.133   38.043   10.654   1.1425   12.118   1.4512   8.2679   1.8528  684.749   41.222  563.516   63.952 121.2326 76.08605 
1 1 1    3   29   18 o  371.000   31.937   3.5661   0.6088   3.6423   0.8520   3.4865   0.8701  375.113   44.180  366.888   46.131 8.225952 63.87452 
1 1 1    3   29   20 o  691.875   45.754   12.760   1.5834   13.773   2.0692   11.329   2.4598  727.255   55.340  656.495   72.879 70.76007 91.50853 
1 1 1    3   29   22 o  1211.00   30.085   38.054   1.8726   38.753   2.6341   37.340   2.6626  1222.41   41.912  1199.59   43.172 22.82251 60.17014 
1 1 1    3   29   24 f  953.012   29.893   23.593   1.4646   23.395   2.0588   23.797   2.0839  948.974   42.198  957.050   42.353 -8.075684 59.78664 
1 1 1    3   29   26 o  492.186   30.887   6.3197   0.7798   6.7900   1.1011   5.8464   1.1045  510.841   41.926  473.532   45.369 37.30920 61.77439 
1 1 1    3   29   28 o  381.207   31.160   3.7965   0.6077   3.3227   0.8479   4.2970   0.8714  356.433   46.268  405.982   41.750 -49.54922 62.31952 
1 1 1    3   29   30 o  916.280   38.376   22.701   1.6748   20.748   2.9150   23.663   2.0462  881.071   64.352  951.488   41.829 -70.41736 76.75201 
1 1 1    3   29   32 f  381.607   41.997   4.2010   0.7290   4.7141   0.9025   3.2378   1.2366  424.153   41.388  339.061   73.089 85.09225 83.99406 
1 1 1    3   29   34 o  857.876   38.131   20.257   1.5753   17.684   2.6436   21.674   1.9615  808.062   63.633  907.689   42.033 -99.62695 76.26175 
1 1 1    3   29   36 o  337.985   33.273   3.0582   0.5710   3.5920   0.8073   2.5238   0.8077  368.724   42.587  307.246   51.134 61.47797 66.54536 
1 1 1    3   29   38 o  551.458   31.949   8.1418   0.8905   9.9754   1.2753   6.3970   1.2440  614.332   40.378  488.585   49.525 125.7478 63.89893 
1 1 1    3   29   40 o  154.184   35.166   0.6273   0.3215   0.7541   0.4441   0.4877   0.4659  165.816   48.817  142.551   50.631 23.26593 70.33192 
1 1 1    3   29   42 o  663.502   38.893   11.732   1.2445   13.051   2.2184   11.127   1.5034  683.434   63.135  643.569   45.438 39.86487 77.78535 
1 1 1    3   29   44 o  528.133   47.852   8.0433   1.2904   8.6828   1.7849   7.3433   1.8676  554.176   62.647  502.090   72.350 52.08545 95.70340 
1 1 1    3   29   46 o  137.420   33.398   0.4005   0.3006   0.1197   0.3925   0.7985   0.4674  106.603   44.050  168.237   50.212 -61.63354 66.79567 
1 1 1    3   29   48 o  630.569   33.066   11.045   1.0621   12.787   1.5136   9.3544   1.4907  683.144   43.094  577.995   50.164 105.1492 66.13259 
1 1 1    3   29   50 o  326.112   38.636   3.1757   0.6134   3.9188   0.8522   2.3771   0.8835  375.128   44.187  277.096   63.390 98.03183 77.27103 
1 1 1    3   30    1 o  617.584   44.036   9.9424   1.3219   10.037   1.6284   9.7594   2.2636  622.889   50.850  612.279   71.908 10.60968 88.07146 
1 1 1    3   30    3 o  1702.20   38.324   72.053   3.0314   68.368   3.5481   82.012   5.8336  1627.21   42.412  1777.20   63.846 -149.9935 76.64899 
1 1 1    3   30    5 o  2501.59   39.473  166.688   4.5334  172.764   5.3792  151.793   8.4219  2587.11   40.442  2416.06   67.801 171.0454 78.94606 
1 1 1    3   30    7 o  2041.15   37.011  106.579   3.5610  104.703   4.2410  111.063   6.5567  2013.83   40.962  2068.47   61.655 -54.63440 74.02178 
1 1 1    3   30    9 o  623.186   34.556   10.024   1.1058   10.701   1.6073   9.4149   1.5236  643.150   48.610  603.222   49.127 39.92828 69.11143 
1 1 1    3   30   11 o  2316.44   42.593  140.758   4.5814  136.160   8.4891  142.647   5.4419  2284.15   72.288  2348.72   45.066 -64.57178 85.18542 
1 1 1    3   30   13 o  817.635   44.807   16.894   1.8495   20.122   2.9816   14.875   2.3580  878.846   65.988  756.423   60.633 122.4238 89.61449 
1 1 1    3   30   15 o  1882.99   35.761   91.534   3.3714   90.240   4.2907   93.622   5.4506  1867.42   44.691  1898.57   55.840 -31.15222 71.52230 
1 1 1    3   30   17 o  1068.07   41.768   29.991   2.0459   30.333   2.4103   29.111   3.8699  1082.34   43.314  1053.81   71.428 28.52820 83.53511 
1 1 1    3   30   19 o  1018.52   45.019   27.151   2.3151   27.123   3.0042   27.191   3.6325  1019.62   57.310  1017.42   69.445 2.204346 90.03848 
1 1 1    3   30   21 o  626.608   37.677   9.7043   1.1473   11.914   2.0576   8.7074   1.3820  674.515   59.334  578.701   46.451 95.81378 75.35406 
1 1 1    3   30   23 o  1591.80   30.217   65.949   2.4697   68.869   3.4639   62.930   3.5222  1628.24   41.379  1555.37   44.047 72.87256 60.43455 
1 1 1    3   30   25 o  223.565   34.844   1.3393   0.4074   0.7679   0.5659   1.9545   0.5871  173.083   55.857  274.047   41.671 -100.9641 69.68861 
1 1 1    3   30   27 o  957.433   30.033   23.894   1.4773   22.693   2.0570   25.174   2.1230  932.461   42.908  982.406   42.034 -49.94556 60.06622 
1 1 1    3   30   29 o  687.674   39.294   12.760   1.2859   11.851   2.2516   13.199   1.5664  665.112   65.847  710.236   42.898 -45.12347 78.58765 
1 1 1    3   30   31 o  1047.17   37.803   30.206   1.8883   32.533   2.3360   25.820   3.2076  1114.48   40.769  979.864   63.672 134.6201 75.60557 
1 1 1    3   30   33 o  290.230   47.762   2.3830   0.7339   3.2106   1.0228   1.5045   1.0538  345.909   57.510  234.551   76.272 111.3580 95.52356 
1 1 1    3   30   35 o  199.524   37.157   1.1131   0.3951   1.3954   0.5465   0.8038   0.5720  224.917   48.672  174.130   56.158 50.78728 74.31462 
1 1 1    3   30   37 o  256.282   35.505   1.8267   0.4546   1.4048   0.6564   2.2156   0.6302  223.426   56.966  289.139   42.395 -65.71301 71.01054 
1 1 1    3   30   39 o  377.345   32.214   3.8046   0.6247   3.6619   0.8775   3.9513   0.8896  369.988   46.128  384.701   44.980 -14.71304 64.42860 
1 1 1    3   30   41 o  453.392   31.726   5.5121   0.7388   5.2023   1.0354   5.8336   1.0547  440.034   45.766  466.750   43.950 -26.71677 63.45177 
1 1 1    3   30   43 o  812.882   44.454   17.826   1.8578   17.826   1.8578   0.0000   0.0000  812.882   44.454  ?   ?       ?      ? 
1 1 1    3   30   45 f  529.533   32.806   7.6636   0.8931   7.7242   1.2634   7.6030   1.2627  531.750   46.213  527.317   46.576 4.433105 65.61209 
1 1 1    3   30   47 o  481.811   32.943   6.4085   0.8142   6.9915   1.1712   5.8631   1.1327  503.985   45.202  459.638   47.934 44.34692 65.88525 
1 1 1    3   30   49 o  230.096   37.162   1.5201   0.4547   0.8932   0.6153   2.2743   0.6750  175.014   58.351  285.177   46.036 -110.1627 74.32428 
1 1 1    3   31    0 o  307.461   91.852   3.0193   1.2644   3.0193   1.2644   0.0000   0.0000  307.461   91.852  307.461   91.852 -0.000000 0.000000 
1 1 1    3   31    2 o  472.407   44.042   5.4005   1.0318   4.2646   1.2743   7.5635   1.7584  405.281   61.158  539.533   63.392 -134.2515 88.08402 
1 1 1    3   31    4 o  1355.91   33.269   47.684   2.2536   46.959   3.6307   48.138   2.8743  1346.52   52.445  1365.31   40.949 -18.78308 66.53799 
1 1 1    3   31    6 o  288.457   41.212   2.4192   0.6233   0.7280   0.9171   3.8706   0.8496  189.878   70.503  387.036   42.696 -197.1584 82.42319 
1 1 1    3   31    8 o  895.251   36.033   21.073   1.6324   18.329   2.4262   23.343   2.2066  840.458   56.149  950.044   45.176 -109.5859 72.06655 
1 1 1    3   31   10 o  1262.02   46.514   41.066   2.9756   43.957   4.6756   39.099   3.8576  1297.84   70.072  1226.20   61.191 71.63867 93.02891 
1 1 1    3   31   12 o  2030.20   36.929  106.123   3.7644  103.402   4.8026  110.458   6.0622  1998.49   46.741  2061.92   57.186 -63.42883 73.85783 
1 1 1    3   31   14 o  656.748   36.804   11.027   1.2190   10.371   1.5588   12.058   1.9557  632.503   47.935  680.994   55.859 -48.49133 73.60735 
1 1 1    3   31   16 o  1372.34   41.504   48.739   2.6461   48.238   3.1260   50.005   4.9703  1364.16   44.571  1380.53   70.027 -16.37183 83.00816 
1 1 1    3   31   18 o  331.047   51.550   3.1186   0.8533   3.6806   1.0866   2.2144   1.3782  375.508   56.281  286.586   86.382 88.92239 103.0994 
1 1 1    3   31   20 o  233.987   37.261   1.4872   0.4375   1.5718   0.6102   1.3977   0.6277  241.128   50.823  226.847   54.501 14.28134 74.52123 
1 1 1    3   31   22 o  923.926   30.894   22.241   1.4652   23.521   2.0638   20.940   2.0806  951.130   42.204  896.722   45.130 54.40869 61.78847 
1 1 1    3   31   24 f  1453.30   30.381   55.003   2.2674   51.485   3.1686   58.695   3.2460  1405.29   43.857  1501.31   42.054 -96.02405 60.76116 
1 1 1    3   31   26 o  311.837   35.002   2.6198   0.5353   1.9801   0.7517   3.2778   0.7624  269.226   56.127  354.448   41.836 -85.22202 70.00353 
1 1 1    3   31   28 o  764.791   40.120   16.140   1.4423   13.830   2.5179   17.268   1.7596  717.106   68.294  812.476   42.123 -95.37024 80.24028 
1 1 1    3   31   30 o  347.163   40.307   3.3545   0.6537   3.5534   0.8089   2.9800   1.1100  367.937   42.761  326.388   68.339 41.54868 80.61449 
1 1 1    3   31   32 o  677.743   47.329   12.904   1.5833   16.005   2.1727   9.3916   2.3122  773.808   54.614  581.678   77.315 192.1293 94.65884 
1 1 1    3   31   34 o  124.041   32.828   0.3047   0.2888   0.1406   0.4289   0.4409   0.3907  113.557   46.383  134.524   46.470 -20.96748 65.65672 
1 1 1    3   31   36 o  161.363   33.934   0.6296   0.3362   1.1554   0.4928   0.1718   0.4599  204.151   47.793  118.575   48.185 85.57694 67.86783 
1 1 1    3   31   38 o  221.829   36.479   1.3512   0.4364   0.7258   0.6064   2.0229   0.6284  168.246   57.907  275.412   44.381 -107.1656 72.95787 
1 1 1    3   31   40 o  250.247   36.675   1.7380   0.4650   1.3886   0.6506   2.1029   0.6649  220.800   56.941  279.694   46.238 -58.89442 73.35052 
1 1 1    3   31   42 o  617.937   38.068   10.384   1.1538   10.070   1.4256   10.981   1.9646  610.515   45.418  625.359   61.106 -14.84369 76.13641 
1 1 1    3   31   44 o  159.265   39.195   0.6626   0.3852   0.6558   0.6343   0.6666   0.4848  161.691   58.866  156.839   51.767 4.851776 78.39062 
1 1 1    3   31   46 o  613.849   32.433   10.381   1.0220   11.074   1.4530   9.7025   1.4378  635.352   44.481  592.346   47.213 43.00604 64.86618 
1 1 1    3   31   48 o  370.814   35.780   3.9074   0.6785   3.4742   0.9564   4.3463   0.9628  348.067   53.447  393.561   47.584 -45.49380 71.55943 
1 1 1    3   32    1 o  2814.92   35.587  205.270   5.1469  214.746   7.3115  195.961   7.2467  2879.73   49.384  2750.12   51.253 129.6104 71.17330 
1 1 1    3   32    3 o  692.311   33.623   12.403   1.1684   12.419   1.8664   12.392   1.4983  692.184   52.447  692.438   42.086 -0.2548218 67.24503 
1 1 1    3   32    5 o  1830.31   33.690   87.894   3.0542   82.112   4.9523   91.444   3.8800  1779.21   54.138  1881.40   40.113 -102.1843 67.37966 
1 1 1    3   32    7 o  1746.99   40.857   78.407   3.6169   74.407   4.6830   84.321   5.6942  1693.60   53.783  1800.38   61.518 -106.7800 81.71311 
1 1 1    3   32    9 o  727.751   41.282   13.918   1.5158   14.663   1.9951   12.902   2.3312  751.921   51.609  703.582   64.447 48.33887 82.56446 
1 1 1    3   32   11 o  814.115   46.840   17.048   1.9231   18.640   3.0849   16.037   2.4595  843.733   71.117  784.497   60.979 59.23669 93.68047 
1 1 1    3   32   13 o  524.337   57.076   8.1028   1.3550   5.0689   2.1677   10.048   1.7358  427.215  100.394  621.460   54.329 -194.2456 114.1512 
1 1 1    3   32   15 o  1015.72   45.535   26.775   2.3779   26.775   2.3779   0.0000   0.0000  1015.72   45.535  ?   ?       ?      ? 
1 1 1    3   32   17 o  738.104   41.364   14.244   1.5672   15.374   2.2494   13.179   2.1847  766.838   57.055  709.370   59.904 57.46820 82.72707 
1 1 1    3   32   19 o  643.544   35.631   10.550   1.1500   9.7189   1.4509   11.955   1.8863  611.023   46.186  676.065   54.270 -65.04169 71.26244 
1 1 1    3   32   21 o  1260.65   36.450   42.053   2.2646   43.346   2.8519   39.846   3.7257  1290.55   42.982  1230.75   58.881 59.80298 72.89969 
1 1 1    3   32   23 o  1103.10   30.963   31.792   1.7522   34.037   2.4708   29.520   2.4851  1142.96   42.048  1063.23   45.462 79.72705 61.92565 
1 1 1    3   32   25 o  846.053   30.931   18.721   1.3446   19.253   1.8899   18.176   1.9135  858.519   42.818  833.586   44.649 24.93256 61.86185 
1 1 1    3   32   27 o  1282.79   39.902   44.816   2.4122   40.591   4.2640   46.804   2.9253  1228.47   67.512  1337.10   42.554 -108.6278 79.80430 
1 1 1    3   32   29 o  295.294   38.401   2.1406   0.5484   1.6187   0.6674   3.2265   0.9626  242.160   54.872  348.427   53.737 -106.2669 76.80230 
1 1 1    3   32   31 o  445.898   48.878   5.5394   1.0816   5.8562   1.4569   5.1506   1.6143  465.793   60.837  426.002   76.518 39.79068 97.75558 
1 1 1    3   32   33 f  587.952   31.873   9.1648   0.9584   7.9871   1.3346   10.419   1.3771  548.018   47.369  627.886   42.658 -79.86871 63.74637 
1 1 1    3   32   35 o  701.905   31.368   13.095   1.1314   12.586   1.5936   13.613   1.6067  687.769   45.068  716.042   43.643 -28.27332 62.73653 
1 1 1    3   32   37 f  171.260   36.211   0.7846   0.3569   0.4883   0.4994   1.0939   0.5102  144.629   52.297  197.891   50.101 -53.26236 72.42274 
1 1 1    3   32   39 o  473.612   33.203   6.0606   0.7998   5.0367   1.1218   7.1189   1.1406  431.037   50.623  516.187   42.978 -85.14972 66.40625 
1 1 1    3   32   41 o  715.014   48.776   15.053   1.7130   10.755   2.4764   18.997   2.3720  601.273   80.109  828.755   55.669 -227.4822 97.55275 
1 1 1    3   32   43 o  640.566   40.702   11.680   1.2604   11.054   2.1366   12.014   1.5610  617.019   67.353  664.113   45.718 -47.09460 81.40340 
1 1 1    3   32   45 o  502.826   33.562   6.9854   0.8672   7.0975   1.2502   6.8815   1.2038  506.287   48.032  499.366   46.890 6.921234 67.12485 
1 1 1    3   32   47 o  204.583   37.894   1.2372   0.4330   0.6464   0.6110   1.8330   0.6136  157.258   57.698  251.907   49.141 -94.64885 75.78851 
1 1 1    3   33    0 o  168.775   82.092   1.0880   0.8363   0.0000   0.0000   1.0880   0.8363  168.775   82.092  168.775   82.092 0.000000 0.000000 
1 1 1    3   33    2 o  536.252   52.123   7.5217   1.4338   8.2213   2.0571   6.8608   1.9996  560.788   71.348  511.716   76.004 49.07205 104.2459 
1 1 1    3   33    4 o  806.239   42.449   16.393   1.7168   14.701   2.1608   19.289   2.8271  752.223   55.873  860.256   63.921 -108.0331 84.89777 
1 1 1    3   33    6 o  2060.70   40.418  115.409   3.8025  122.158   4.5276   99.251   7.0051  2173.52   40.516  1947.88   69.949 225.6409 80.83620 
1 1 1    3   33    8 o  1206.23   38.036   38.570   2.1500   39.734   2.5819   35.939   3.8830  1239.36   40.521  1173.10   64.382 66.25757 76.07198 
1 1 1    3   33   10 o  465.259   45.453   5.4025   0.9893   6.2895   1.8891   5.0673   1.1613  488.930   75.150  441.588   51.150 47.34164 90.90561 
1 1 1    3   33   12 o  1268.99   44.349   42.949   2.5904   40.266   4.8221   44.037   3.0712  1235.38   75.922  1302.60   45.859 -67.22437 88.69759 
1 1 1    3   33   14 o  935.166   74.532   23.114   3.5835   0.0000   0.0000   23.114   3.5835  ?   ?   935.166   74.532      ?      ? 
1 1 1    3   33   16 o  1205.45   45.275   37.788   2.8060   0.0000   0.0000   37.788   2.8060  ?   ?   1205.45   45.275      ?      ? 
1 1 1    3   33   18 o  640.122   45.761   11.389   1.3216   9.5323   2.4520   12.149   1.5690  597.052   79.881  683.193   44.669 -86.14105 91.52200 
1 1 1    3   33   20 o  322.458   50.528   2.8990   0.7949   2.7122   1.3043   3.0094   1.0027  311.925   80.713  332.991   60.809 -21.06583 101.0559 
1 1 1    3   33   22 o  947.790   36.385   23.598   1.7081   23.641   2.1486   23.523   2.8160  951.658   43.913  943.922   58.027 7.735779 72.77005 
1 1 1    3   33   24 o  556.080   36.467   8.1741   1.0034   8.2641   1.2636   8.0204   1.6508  562.098   43.726  550.062   58.374 12.03552 72.93477 
1 1 1    3   33   26 o  421.972   44.230   4.7358   0.9532   5.0121   1.4482   4.5246   1.2661  432.047   65.196  411.897   59.789 20.14972 88.46075 
1 1 1    3   33   28 o  303.502   43.333   2.8969   0.6496   3.9385   0.8288   1.2383   1.0459  387.414   41.612  219.591   76.022 167.8231 86.66589 
1 1 1    3   33   30 o  776.444   59.120   16.242   2.3600   16.242   2.3600   0.0000   0.0000  776.444   59.120  ?   ?       ?      ? 
1 1 1    3   33   32 o  481.143   32.133   6.1451   0.7939   6.5047   1.1259   5.7895   1.1196  495.557   44.191  466.729   46.660 28.82742 64.26530 
1 1 1    3   33   34 o  204.001   37.388   1.1583   0.4013   1.4439   0.5738   0.8849   0.5615  227.940   50.313  180.063   55.319 47.87746 74.77690 
1 1 1    3   33   36 o  321.916   34.702   2.7883   0.5735   2.6158   0.8105   2.9612   0.8115  311.489   50.612  332.343   47.491 -20.85419 69.40406 
1 1 1    3   33   38 o  538.691   32.299   7.7906   0.8918   7.0258   1.2464   8.5926   1.2764  510.687   47.473  566.695   43.808 -56.00702 64.59771 
1 1 1    3   33   40 o  213.318   46.471   1.2975   0.5990   0.6600   0.8782   1.8524   0.8192  174.879   68.010  251.758   63.346 -76.87897 92.94131 
1 1 1    3   33   42 o  197.468   68.500   1.0938   0.8494   0.0000   0.0000   1.0938   0.8494  ?   ?   197.468   68.500      ?      ? 
1 1 1    3   33   44 o  253.049   37.800   1.8677   0.4930   1.0904   0.6906   2.6757   0.7041  193.224   61.638  312.873   43.772 -119.6493 75.59921 
1 1 1    3   33   46 o  308.999   36.462   2.7438   0.5580   3.3135   0.8020   2.2094   0.7767  345.551   45.144  272.447   57.271 73.10397 72.92387 
1 1 1    3   34    1 o  540.978   37.106   7.6064   1.0319   7.7408   1.4570   7.4712   1.4617  545.833   51.918  536.122   53.029 9.711426 74.21279 
1 1 1    3   34    3 o  880.349   32.636   19.764   1.4594   18.093   1.8946   22.202   2.2887  835.667   44.097  925.032   48.124 -89.36420 65.27221 
1 1 1    3   34    5 o  298.766   34.703   2.3586   0.5148   2.8368   0.7421   1.9151   0.7146  330.882   43.625  266.649   53.981 64.23270 69.40508 
1 1 1    3   34    7 o  338.301   31.884   2.9735   0.5533   3.1955   0.7807   2.7496   0.7842  351.128   43.246  325.475   46.862 25.65277 63.76717 
1 1 1    3   34    9 o  407.172   30.365   4.2984   0.6356   4.3370   0.9066   4.2610   0.8914  408.956   43.117  405.388   42.767 3.568420 60.72987 
1 1 1    3   34   11 o  467.879   50.931   6.1808   1.0513   6.6258   1.2560   5.1391   1.9216  504.683   48.407  431.074   89.625 73.60889 101.8622 
1 1 1    3   34   13 o  523.800   50.926   7.2526   1.3337   7.2388   1.7001   7.2746   2.1508  524.883   62.999  522.718   80.031 2.164856 101.8516 
1 1 1    3   34   15 o  984.165   32.763   25.217   1.6574   25.915   2.3666   24.544   2.3220  997.592   46.142  970.738   46.525 26.85327 65.52644 
1 1 1    3   34   17 o  818.374   32.210   17.450   1.3546   18.195   1.9352   16.734   1.8968  835.621   45.046  801.126   46.053 34.49500 64.42030 
1 1 1    3   34   19 o  415.299   50.875   5.0653   0.9202   3.8619   1.7109   5.5551   1.0915  369.393   90.742  461.205   46.032 -91.81241 101.7504 
1 1 1    3   34   21 o  899.934   42.977   21.987   1.7910   20.202   3.2750   22.749   2.1392  866.954   73.477  932.914   44.600 -65.96051 85.95329 
1 1 1    3   34   23 o  1016.64   42.611   28.332   2.0082   25.405   3.6373   29.616   2.4086  969.752   72.954  1063.53   44.050 -93.78003 85.22139 
1 1 1    3   34   25 o  747.140   44.878   14.885   1.7076   15.646   2.6249   14.325   2.2484  761.814   67.017  732.465   59.705 29.34839 89.75534 
1 1 1    3   34   27 o  490.973   45.429   6.4433   1.1389   7.1133   1.7389   5.9398   1.5073  512.427   66.003  469.518   62.440 42.90945 90.85821 
1 1 1    3   34   29 o  553.049   60.186   8.2623   1.7113   8.2623   1.7113   0.0000   0.0000  553.049   60.186  ?   ?       ?      ? 
1 1 1    3   34   31 o  636.878   38.283   10.977   1.1905   11.142   1.4789   10.672   2.0064  648.365   44.365  625.391   62.402 22.97394 76.56603 
1 1 1    3   34   33 o  523.054   37.767   7.3006   0.9841   7.0534   1.2389   7.7232   1.6201  514.045   46.877  532.064   59.227 -18.01898 75.53301 
1 1 1    3   34   35 o  742.576   36.891   14.627   1.3553   13.891   1.6836   15.981   2.2843  721.021   45.417  764.132   58.146 -43.11108 73.78102 
1 1 1    3   34   37 o  633.466   38.054   10.872   1.1801   10.687   1.4591   11.222   2.0069  631.303   44.954  635.629   61.412 -4.325806 76.10718 
1 1 1    3   34   39 o  468.082   46.973   6.2700   1.1223   5.7510   1.6316   6.7361   1.5462  446.278   71.112  489.886   61.391 -43.60864 93.94574 
1 1 1    3   34   41 o  171.107   43.795   0.6822   0.5111   0.3227   0.6907   1.1173   0.7598  144.625   58.943  197.589   64.789 -52.96365 87.58965 
1 1 1    3   34   43 o  237.231   39.499   1.6487   0.4738   1.6896   0.6684   1.6075   0.6718  240.525   55.217  233.937   56.496 6.587860 78.99786 
1 1 1    3   34   45 o  257.789   40.002   1.9957   0.5173   1.6449   0.7462   2.3202   0.7177  232.271   61.513  283.307   51.153 -51.03694 80.00310 
1 1 1    3   34   47 o  139.855   35.130   0.5068   0.3387   0.1447   0.5389   0.7432   0.4354  119.865   50.707  159.844   48.635 -39.97983 70.26055 
1 1 1    3   35    0 o  1776.97   51.390   82.675   4.6711   86.421   6.5628   78.827   6.6500  1818.95   70.417  1734.99   74.868 -0.000000 0.000000 
1 1 1    3   35    2 o  1681.66   36.013   73.594   3.1136   73.333   4.4036   73.855   4.4032  1678.63   51.024  1684.68   50.837 -6.045288 72.02686 
1 1 1    3   35    4 o  1094.58   29.819   31.065   1.6772   32.429   2.3856   29.732   2.3584  1118.50   41.485  1070.67   42.844 47.82922 59.63720 
1 1 1    3   35    6 o  1546.79   29.686   62.185   2.3547   57.521   3.3476   66.752   3.3128  1488.68   43.738  1604.90   40.150 -116.2139 59.37192 
1 1 1    3   35    8 o  461.568   35.459   5.4159   0.8133   5.0588   1.0125   6.0654   1.3654  441.276   44.627  481.859   55.116 -40.58389 70.91750 
1 1 1    3   35   10 o  411.983   37.812   4.4626   0.7954   4.8182   1.0949   4.0651   1.1576  429.944   49.532  394.021   57.144 35.92300 75.62300 
1 1 1    3   35   12 o  583.319   38.879   8.4219   1.1324   11.221   1.8938   6.8637   1.4128  654.396   56.288  512.243   53.647 142.1529 77.75806 
1 1 1    3   35   14 o  830.950   33.447   18.011   1.4288   18.278   2.0324   17.749   2.0090  837.060   47.227  824.839   47.375 12.22107 66.89317 
1 1 1    3   35   16 o  738.373   32.997   14.250   1.2511   13.552   1.7775   14.936   1.7614  720.088   48.011  756.658   45.278 -36.57007 65.99400 
1 1 1    3   35   18 o  374.727   34.839   3.6779   0.6644   4.4009   0.9632   3.0216   0.9177  410.352   45.654  339.102   52.637 71.24933 69.67770 
1 1 1    3   35   20 o  880.306   32.564   20.323   1.4655   17.662   2.0488   23.112   2.0971  820.292   48.580  940.320   43.379 -120.0285 65.12890 
1 1 1    3   35   22 o  558.734   33.050   8.2038   0.9473   7.5205   1.3290   8.9096   1.3506  534.654   48.348  582.814   45.075 -48.15991 66.10014 
1 1 1    3   35   24 o  531.273   48.129   7.7657   1.2810   6.9023   1.9741   8.3937   1.6836  501.833   76.516  560.713   58.402 -58.87961 96.25757 
1 1 1    3   35   26 o  423.098   41.924   4.5447   0.8535   5.5768   1.5599   4.1036   1.0197  452.986   66.978  393.209   50.442 59.77750 83.84725 
1 1 1    3   35   28 o  936.452   71.637   24.207   3.4490   0.0000   0.0000   24.207   3.4490  ?   ?   936.452   71.637      ?      ? 
1 1 1    3   35   30 o  162.022   42.152   0.5570   0.3820   0.6542   0.9005   0.5357   0.4218  179.111   69.088  144.933   48.312 34.17752 84.30441 
1 1 1    3   35   32 o  233.329   44.746   1.5857   0.5342   1.3272   0.9524   1.7044   0.6453  219.307   72.567  247.352   52.372 -28.04549 89.49175 
1 1 1    3   35   34 o  166.863   39.339   0.6568   0.3749   0.9986   0.6720   0.5024   0.4517  190.755   60.800  142.972   49.934 47.78247 78.67715 
1 1 1    3   35   36 o  233.491   48.409   1.5763   0.6174   1.6976   0.9123   1.4738   0.8386  241.051   69.677  225.930   67.223 15.12122 96.81898 
1 1 1    3   35   38 o  343.576   51.094   3.6455   0.9213   1.7319   1.3168   5.4804   1.2894  242.399   85.221  444.753   56.388 -202.3535 102.1872 
1 1 1    3   35   40 o  436.135   65.083   5.4735   1.4593   5.4735   1.4593   0.0000   0.0000  436.135   65.083  ?   ?       ?      ? 
1 1 1    3   35   42 o  264.422   41.740   2.4411   0.6027   3.3197   0.7363   0.6568   1.0493  349.913   40.929  178.932   72.759 170.9801 83.48029 
1 1 1    3   35   44 o  309.045   40.854   2.5837   0.6148   1.9945   0.7546   3.7475   1.0605  258.223   58.229  359.867   57.320 -101.6437 81.70855 
1 1 1    3   35   46 o  358.263   41.293   3.7361   0.7471   3.4219   0.9568   4.2270   1.1959  342.590   54.320  373.937   62.207 -31.34686 82.58546 
1 1 1    3   36    1 o  791.375   36.826   16.342   1.4972   15.508   2.1051   17.195   2.1297  770.713   53.128  812.038   51.011 -41.32562 73.65240 
1 1 1    3   36    3 o  1533.97   36.208   61.370   2.8554   62.213   4.0671   60.551   4.0097  1544.35   51.223  1523.60   51.188 20.74841 72.41615 
1 1 1    3   36    5 o  1451.04   33.850   54.244   2.4700   52.101   3.1516   57.656   3.9767  1416.02   43.290  1486.05   52.050 -70.02954 67.69958 
1 1 1    3   36    7 o  294.838   43.802   2.3366   0.6403   2.0449   0.8539   2.7111   0.9677  273.661   62.114  316.016   61.776 -42.35468 87.60436 
1 1 1    3   36    9 o  901.747   39.105   21.142   1.6213   21.676   3.0946   20.940   1.9035  905.754   66.454  897.740   41.241 8.013733 78.21049 
1 1 1    3   36   11 o  137.696   36.665   0.3340   0.3591   0.1500   0.4884   0.5505   0.5296  121.539   49.555  153.853   54.051 -32.31409 73.32996 
1 1 1    3   36   13 o  1340.72   33.509   46.932   2.3072   50.022   3.3015   43.983   3.2256  1384.27   46.389  1297.16   48.367 87.10803 67.01719 
1 1 1    3   36   15 o  999.917   33.314   26.234   1.7042   23.310   2.4127   29.145   2.4074  943.149   49.756  1056.69   44.314 -113.5363 66.62897 
1 1 1    3   36   17 o  663.905   33.227   11.565   1.1308   10.554   1.5977   12.579   1.6009  634.258   48.995  693.553   44.896 -59.29572 66.45379 
1 1 1    3   36   19 o  724.710   32.734   13.778   1.2194   13.674   1.7368   13.878   1.7125  721.869   46.799  727.551   45.782 -5.681519 65.46803 
1 1 1    3   36   21 o  905.823   32.261   21.563   1.5018   22.199   2.1214   20.924   2.1264  919.536   44.874  892.111   46.362 27.42462 64.52164 
1 1 1    3   36   23 o  508.519   49.751   7.1517   1.2458   6.5721   2.0247   7.5048   1.5804  487.159   80.840  529.879   58.012 -42.72034 99.50173 
1 1 1    3   36   25 f  644.468   32.327   10.982   1.0648   9.5096   1.4860   12.534   1.5264  599.058   48.250  689.878   43.035 -90.81995 64.65340 
1 1 1    3   36   27 o  243.844   47.437   1.7417   0.6654   2.4342   0.8703   0.7673   1.0323  295.477   59.349  192.211   74.018 103.2657 94.87325 
1 1 1    3   36   29 f  898.325   32.054   21.428   1.4759   19.271   2.0551   23.725   2.1208  850.570   46.996  946.079   43.602 -95.50897 64.10775 
1 1 1    3   36   31 f  391.454   33.150   4.0976   0.6663   4.3286   0.9414   3.8658   0.9431  402.968   45.439  379.941   48.280 23.02768 66.29958 
1 1 1    3   36   33 o  227.122   37.503   1.4670   0.4354   1.0945   0.6253   1.8177   0.6067  197.608   57.851  256.635   47.742 -59.02711 75.00648 
1 1 1    3   36   35 o  288.462   45.352   2.4660   0.6249   2.0884   1.1269   2.6336   0.7510  264.159   77.757  312.765   46.702 -48.60623 90.70376 
1 1 1    3   36   37 o  301.992   46.977   2.6785   0.7462   3.9061   1.0713   1.5213   1.0401  375.834   55.442  228.149   75.851 147.6852 93.95327 
1 1 1    3   36   39 o  162.920   44.759   0.5677   0.5420   0.7246   0.7486   0.3950   0.7856  171.246   63.676  154.594   62.920 16.65239 89.51868 
1 1 1    3   36   41 o  390.338   46.669   4.3979   0.8306   4.8084   1.5375   4.2287   0.9870  390.216   79.339  390.460   49.167 -0.2443237 93.33866 
1 1 1    3   36   43 o  292.438   46.952   2.8628   0.6797   1.8900   1.2054   3.3162   0.8230  239.566   81.664  345.310   46.356 -105.7442 93.90319 
1 1 1    3   36   45 o  171.398   43.098   0.7730   0.4594   1.1527   0.7890   0.5782   0.5651  193.480   66.068  149.317   55.361 44.16241 86.19635 
1 1 1    3   37    0 o  143.084   81.079   0.7116   0.9210   0.0000   0.0000   0.7116   0.9210  143.084   81.079  143.084   81.079 -0.000000 0.000000 
1 1 1    3   37    2 o  940.015   53.179   23.572   2.5652   24.432   3.5674   22.652   3.6914  959.017   72.352  921.014   77.957 38.00330 106.3587 
1 1 1    3   37    4 o  1129.24   45.782   34.378   2.5296   31.164   4.1670   36.253   3.1833  1081.47   74.945  1177.01   52.605 -95.53931 91.56451 
1 1 1    3   37    6 o  443.839   41.200   4.9153   0.8401   5.7806   1.6559   4.6153   0.9748  466.810   68.994  420.868   45.052 45.94208 82.40081 
1 1 1    3   37    8 o  431.705   35.225   4.9984   0.7527   4.3431   1.1926   5.4322   0.9704  406.432   57.073  456.977   41.304 -50.54419 70.45100 
1 1 1    3   37   10 o  531.373   37.501   7.9661   0.9469   5.2343   1.4632   9.9341   1.2419  444.571   64.018  618.175   39.077 -173.6044 75.00166 
1 1 1    3   37   12 o  985.038   34.451   25.450   1.7409   23.604   2.4677   27.279   2.4562  948.710   50.592  1021.37   46.776 -72.65564 68.90254 
1 1 1    3   37   14 o  388.222   35.166   3.9591   0.7009   4.2064   0.9918   3.7125   0.9905  400.589   48.157  375.855   51.261 24.73380 70.33278 
1 1 1    3   37   16 o  142.142   35.942   0.4583   0.3326   0.4763   0.4645   0.4393   0.4764  143.261   50.591  141.023   51.066 2.237823 71.88301 
1 1 1    3   37   18 o  954.419   33.203   23.969   1.6167   27.862   2.3220   20.305   2.2524  1031.11   43.801  877.730   49.913 153.3770 66.40640 
1 1 1    3   37   20 o  128.463   38.350   0.0564   0.3241   0.3685   0.8283   0.0000   0.3522  161.584   65.019   95.342   40.688 66.24199 76.70055 
1 1 1    3   37   22 o  599.880   47.370   9.4887   1.4254   11.043   2.3430   8.5754   1.7960  635.456   71.717  564.304   61.905 71.15118 94.73944 
1 1 1    3   37   24 o  180.751   38.619   0.8207   0.4031   0.4717   0.5340   1.2830   0.6147  146.587   53.916  214.916   55.307 -68.32904 77.23845 
1 1 1    3   37   26 o  310.079   66.917   2.7269   1.0355   2.7269   1.0355   0.0000   0.0000  310.079   66.917  ?   ?       ?      ? 
1 1 1    3   37   28 o  297.350   38.440   2.4432   0.5687   2.9532   0.8066   1.9393   0.8018  332.799   47.145  261.901   60.728 70.89764 76.87939 
1 1 1    3   37   30 o  366.338   35.207   3.6095   0.6603   4.0204   0.9412   3.2114   0.9265  387.686   47.219  344.990   52.235 42.69586 70.41396 
1 1 1    3   37   32 o  525.163   32.888   7.3915   0.8878   7.2659   1.2430   7.5223   1.2686  520.643   46.438  529.683   46.582 -9.040405 65.77538 
1 1 1    3   37   34 o  257.835   36.040   1.8601   0.4608   1.8695   0.6523   1.8506   0.6511  258.533   50.885  257.137   51.052 1.396088 72.08086 
1 1 1    3   37   36 o  226.070   49.326   1.5010   0.6287   1.4784   0.9436   1.5190   0.8432  224.721   72.088  227.419   67.347 -2.698502 98.65267 
1 1 1    3   37   38 o  189.840   47.852   0.9811   0.5921   1.1135   0.7900   0.8114   0.8945  197.615   66.118  182.064   69.192 15.55122 95.70367 
1 1 1    3   37   40 o  701.508   33.362   13.617   1.1984   14.385   1.6593   12.780   1.7326  724.859   44.526  678.157   49.694 46.70245 66.72336 
1 1 1    3   37   42 o  332.822   40.015   3.2460   0.6628   3.6336   0.9252   2.8374   0.9498  359.170   50.106  306.474   62.403 52.69666 80.02985 
1 1 1    3   37   44 o  670.799   34.357   12.768   1.1825   11.731   1.6371   13.899   1.7101  640.920   49.681  700.679   47.471 -59.75903 68.71446 
1 1 1    3   38    1 o  257.367   38.726   1.8060   0.5435   3.1135   0.7788   0.5648   0.7588  345.622   43.830  169.112   63.858 176.5097 77.45296 
1 1 1    3   38    3 o  1857.76   36.617   90.522   3.4944   86.482   4.9500   94.536   4.9338  1815.54   53.031  1899.98   50.508 -84.44360 73.23476 
1 1 1    3   38    5 o  145.180   33.247   0.4364   0.3198   0.9098   0.4618   0.0000   0.4433  183.243   48.322  107.118   45.678 76.12588 66.49451 
1 1 1    3   38    7 o  1044.64   30.082   28.532   1.6098   26.022   2.2915   30.979   2.2621  998.386   44.642  1090.89   40.333 -92.49982 60.16389 
1 1 1    3   38    9 o  554.961   30.317   8.0406   0.8645   7.8048   1.2306   8.2703   1.2147  546.749   43.779  563.174   41.952 -16.42432 60.63449 
1 1 1    3   38   11 o  579.851   29.915   8.7891   0.8879   9.8308   1.2662   7.7813   1.2454  614.152   40.101  545.551   44.402 68.60065 59.82971 
1 1 1    3   38   13 o  248.641   41.523   1.6983   0.5248   1.4170   0.7297   1.9997   0.7553  226.992   61.152  270.290   56.187 -43.29758 83.04591 
1 1 1    3   38   15 o  565.174   34.767   8.4223   1.0086   8.0255   1.4426   8.8017   1.4105  551.664   50.864  578.683   47.410 -27.01953 69.53336 
1 1 1    3   38   17 o  893.796   33.607   21.096   1.5391   19.278   2.1882   22.875   2.1652  854.533   49.806  933.058   45.135 -78.52478 67.21460 
1 1 1    3   38   19 o  331.308   54.928   3.1809   0.8891   2.7216   1.5923   3.3889   1.0717  306.717   92.940  355.898   58.571 -49.18054 109.8566 
1 1 1    3   38   21 o  1176.56   37.288   36.650   2.1956   35.884   2.7908   37.893   3.5568  1165.07   46.592  1188.06   58.232 -22.98206 74.57678 
1 1 1    3   38   23 o  715.471   33.284   13.586   1.2210   14.857   1.7411   12.355   1.7128  749.299   45.196  681.643   48.873 67.65594 66.56807 
1 1 1    3   38   25 o  210.706   50.470   1.1601   0.6292   1.1028   0.7791   1.2675   1.0669  201.890   65.577  219.522   76.736 -17.63231 100.9393 
1 1 1    3   38   27 o  512.197   34.649   7.0792   0.8965   8.6148   1.2755   5.5804   1.2602  569.688   43.549  454.705   53.905 114.9835 69.29858 
1 1 1    3   38   29 f  157.564   34.380   0.5948   0.3568   1.1216   0.4899   0.0000   0.5206  200.797   48.093  114.330   49.144 86.46696 68.76074 
1 1 1    3   38   31 o  824.597   32.702   18.290   1.3794   20.259   1.9470   16.306   1.9546  871.286   43.464  777.909   48.872 93.37592 65.40302 
1 1 1    3   38   33 o  368.213   34.359   3.6824   0.6431   4.3472   0.9189   3.0441   0.9004  402.437   44.412  333.988   52.438 68.44864 68.71786 
1 1 1    3   38   35 o  182.766   45.428   0.8629   0.5368   1.1408   0.7771   0.6092   0.7424  200.611   65.513  164.922   62.950 35.68867 90.85509 
1 1 1    3   38   37 o  437.202   44.411   5.1792   0.9197   4.7390   1.0886   6.2767   1.7189  414.037   51.139  460.368   72.623 -46.33078 88.82131 
1 1 1    3   38   39 o  681.756   34.140   12.980   1.1803   15.033   1.6528   10.843   1.6862  742.037   43.323  621.474   52.775 120.5631 68.27901 
1 1 1    3   38   41 o  520.891   34.842   7.6054   0.9314   7.3315   1.2722   7.9217   1.3673  511.617   48.367  530.166   50.164 -18.54877 69.68403 
1 1 1    3   38   43 o  423.737   35.809   5.1265   0.7776   4.8824   1.0504   5.4224   1.1567  413.697   49.387  433.777   51.865 -20.07959 71.61747 
1 1 1    3   39    0 o  869.907   54.294   20.341   2.3822   19.187   3.3164   21.572   3.4239  843.250   78.033  896.565   75.511 -0.000000 0.000000 
1 1 1    3   39    2 o  1101.44   37.022   31.903   2.0961   31.454   2.9756   32.345   2.9533  1093.48   52.929  1109.41   51.778 -15.92810 74.04346 
1 1 1    3   39    4 o  799.162   37.330   16.801   1.5247   19.277   2.1960   14.497   2.1186  856.990   49.842  741.333   55.587 115.6575 74.65992 
1 1 1    3   39    6 o  484.578   32.715   6.2071   0.7952   4.5997   1.1081   7.9139   1.1418  418.192   51.538  550.963   40.309 -132.7712 65.42902 
1 1 1    3   39    8 o  277.710   36.510   2.0745   0.5026   2.8173   0.7340   1.4186   0.6898  328.250   43.492  227.169   58.654 101.0811 73.01912 
1 1 1    3   39   10 o  272.963   36.371   2.0785   0.4887   2.8094   0.6808   1.3014   0.7020  328.050   40.366  217.876   60.514 110.1747 72.74138 
1 1 1    3   39   12 o  237.043   34.653   1.5139   0.4295   2.5124   0.6305   0.6494   0.5867  310.185   39.534  163.901   56.925 146.2844 69.30690 
1 1 1    3   39   14 o  1689.10   34.225   75.190   2.9718   75.995   4.2431   74.415   4.1636  1697.79   48.610  1680.41   48.193 17.37598 68.45068 
1 1 1    3   39   16 o  188.320   45.076   0.8982   0.4893   0.8119   0.9230   0.9320   0.5770  190.810   70.753  185.830   55.869 4.980453 90.15191 
1 1 1    3   39   18 o  368.450   52.912   3.6569   0.9475   4.8460   1.5615   2.9639   1.1920  413.957   76.179  322.942   73.453 91.01459 105.8232 
1 1 1    3   39   20 o  622.832   33.818   10.282   1.0813   11.063   1.5480   9.5384   1.5109  646.399   46.581  599.264   49.041 47.13544 67.63698 
1 1 1    3   39   22 o  1105.89   45.212   33.073   2.2958   32.707   2.6987   34.033   4.3672  1109.42   47.315  1102.35   77.056 7.067871 90.42314 
1 1 1    3   39   24 o  192.098   47.948   0.8505   0.5856   0.5585   0.7468   1.3165   0.9434  165.015   63.101  219.182   72.210 -54.16612 95.89569 
1 1 1    3   39   26 o  452.188   35.028   5.4907   0.8108   6.1153   1.1551   4.8841   1.1384  478.525   46.951  425.852   51.994 52.67252 70.05544 
1 1 1    3   39   28 o  308.308   37.553   2.6044   0.5834   2.5213   0.8137   2.6923   0.8369  300.845   54.621  315.771   51.551 -14.92526 75.10608 
1 1 1    3   39   30 o  186.041   39.007   0.9619   0.4115   0.6681   0.5940   1.2332   0.5706  162.962   57.240  209.121   53.006 -46.15901 78.01324 
1 1 1    3   39   32 o  462.984   34.585   5.8242   0.8212   6.1560   1.1477   5.4763   1.1754  477.562   46.744  448.407   50.985 29.15521 69.17016 
1 1 1    3   39   34 o  665.654   52.059   13.393   1.6970   10.230   2.5584   15.878   2.2677  577.998   86.094  753.310   58.553 -175.3123 104.1184 
1 1 1    3   39   36 o  220.604   46.623   1.5892   0.6025   1.9496   0.6905   0.4398   1.2332  260.879   53.286  180.329   76.520 80.54979 93.24567 
1 1 1    3   39   38 o  721.760   43.109   15.705   1.4775   12.644   2.4347   17.489   1.8590  645.646   73.346  797.875   45.318 -152.2294 86.21731 
1 1 1    3   39   40 o  412.110   40.276   5.0280   0.7891   6.6891   1.1230   3.4073   1.1092  491.716   44.421  332.503   67.197 159.2138 80.55183 
1 1 1    3   39   42 o  162.654   39.343   0.7119   0.3796   0.5884   0.4664   0.9543   0.6533  146.426   50.760  178.882   60.124 -32.45595 78.68613 
1 1 1    3   40    1 o  344.230   41.704   3.1812   0.7183   2.7475   0.9880   3.6674   1.0462  315.961   63.029  372.499   54.630 -56.53723 83.40871 
1 1 1    3   40    3 o  1192.91   37.762   37.725   2.3010   32.928   3.2550   42.516   3.2532  1114.74   56.795  1271.08   49.782 -156.3397 75.52380 
1 1 1    3   40    5 o  413.103   32.801   4.4858   0.6902   5.2907   0.9927   3.7328   0.9602  449.636   42.942  376.570   49.594 73.06613 65.60194 
1 1 1    3   40    7 f  932.525   30.801   22.890   1.4676   20.197   2.0891   25.515   2.0622  876.952   46.335  988.098   40.594 -111.1454 61.60181 
1 1 1    3   40    9 o  370.658   33.267   3.6244   0.6314   3.2688   0.8958   3.9754   0.8900  352.089   49.484  389.226   44.477 -37.13727 66.53497 
1 1 1    3   40   11 o  1154.84   29.744   34.952   1.7659   35.257   2.5119   34.654   2.4832  1159.79   42.127  1149.89   42.003 9.897827 59.48848 
1 1 1    3   40   13 o  957.176   32.278   24.182   1.5684   24.482   2.0697   23.776   2.4038  966.091   41.669  948.261   49.307 17.83020 64.55630 
1 1 1    3   40   15 o  239.323   53.594   1.6024   0.7315   1.2632   1.2584   1.7755   0.8990  227.382   82.894  251.265   67.954 -23.88350 107.1878 
1 1 1    3   40   17 o  895.355   38.816   21.009   1.7607   19.016   2.2674   24.036   2.7943  844.644   52.214  946.066   57.450 -101.4218 77.63215 
1 1 1    3   40   19 o  283.864   38.339   2.1956   0.5460   2.6251   0.7893   1.8014   0.7561  314.122   48.874  253.605   59.083 60.51717 76.67815 
1 1 1    3   40   21 o  366.716   54.010   4.6769   0.9535   5.8969   1.1395   1.8281   1.7413  470.792   47.079  262.639   97.221 208.1529 108.0204 
1 1 1    3   40   23 o  498.699   39.608   6.5543   0.9947   7.6319   1.6153   5.8961   1.2624  529.282   59.360  468.116   52.454 61.16595 79.21510 
1 1 1    3   40   25 o  137.923   36.556   0.4035   0.3500   0.3301   0.5325   0.4594   0.4645  135.547   52.892  140.299   50.477 -4.752563 73.11253 
1 1 1    3   40   27 o  629.555   33.813   10.643   1.0942   10.701   1.5338   10.582   1.5613  631.638   47.232  627.472   48.398 4.165955 67.62534 
1 1 1    3   40   29 o  383.783   36.158   3.9925   0.7072   3.3445   0.9788   4.7003   1.0229  349.888   54.410  417.678   47.636 -67.78989 72.31592 
1 1 1    3   40   31 o  343.840   38.130   3.3234   0.6469   3.8242   0.8958   2.7778   0.9351  376.340   46.299  311.339   60.597 65.00119 76.25943 
1 1 1    3   40   33 o  305.614   54.141   2.7739   0.8293   3.3214   1.3576   2.4480   1.0474  326.461   81.218  284.767   71.614 41.69418 108.2818 
1 1 1    3   40   35 o  163.509   39.266   0.7148   0.3979   0.8664   0.5662   0.5670   0.5592  175.371   55.798  151.648   55.262 23.72270 78.53210 
1 1 1    3   40   37 o  221.562   46.344   1.4210   0.5270   1.6645   0.9860   1.3237   0.6236  231.205   73.639  211.919   56.286 19.28606 92.68704 
1 1 1    3   40   39 o  470.837   35.786   6.2916   0.8610   6.9440   1.2095   5.6211   1.2260  498.478   47.195  443.195   53.807 55.28305 71.57216 
1 1 1    3   40   41 o  107.972   30.779   0.1892   0.2631   0.2067   0.3703   0.1715   0.3737  109.144   43.631  106.800   43.425 2.343567 61.55806 
1 1 1    3   41    0 o  999.279   56.281   27.340   2.7662   20.672   3.8921   34.146   3.9323  865.807   89.637  1132.75   68.085 0.000000 0.000000 
1 1 1    3   41    2 o  697.976   38.217   12.969   1.3616   14.728   1.9279   11.218   1.9233  746.846   50.209  649.106   57.631 97.73993 76.43479 
1 1 1    3   41    4 o  633.480   38.200   10.649   1.2434   11.060   1.7582   10.237   1.7586  646.117   52.930  620.843   55.095 25.27319 76.40000 
1 1 1    3   41    6 o  648.261   31.409   11.088   1.0393   9.5753   1.4681   12.608   1.4715  602.781   47.373  693.740   41.255 -90.95825 62.81872 
1 1 1    3   41    8 o  293.910   35.550   2.3489   0.5155   2.8850   0.7301   1.8157   0.7281  331.490   42.837  256.329   56.747 75.16080 71.10035 
1 1 1    3   41   10 o  479.017   31.533   6.0471   0.7733   6.7539   1.1039   5.3661   1.0835  507.086   42.345  450.949   46.736 56.13721 63.06599 
1 1 1    3   41   12 f  499.993   36.155   6.5528   0.8985   6.9886   1.4916   6.3046   1.1257  510.980   56.780  489.007   44.774 21.97336 72.30909 
1 1 1    3   41   14 o  599.369   50.855   9.5768   1.5320   11.373   2.5074   8.5068   1.9353  640.435   76.151  558.302   67.424 82.13318 101.7104 
1 1 1    3   41   16 o  249.707   42.080   1.7601   0.5382   2.1331   0.7538   1.3721   0.7688  277.772   54.730  221.642   63.933 56.12924 84.15958 
1 1 1    3   41   18 o  523.252   35.377   7.3146   0.9510   7.0490   1.3499   7.5763   1.3401  513.377   51.145  533.126   48.891 -19.74884 70.75430 
1 1 1    3   41   20 o  768.090   52.386   16.772   1.9758   17.490   2.4978   15.573   3.2293  800.870   60.663  735.309   85.423 65.56116 104.7714 
1 1 1    3   41   22 o  204.777   43.157   1.1684   0.4820   1.1526   0.7699   1.1786   0.6180  204.477   65.066  205.076   56.713 -0.5989990 86.31357 
1 1 1    3   41   24 o  630.826   34.150   10.678   1.1072   10.505   1.5760   10.848   1.5560  625.362   49.017  636.291   47.564 -10.92859 68.30088 
1 1 1    3   41   26 o  582.352   34.682   9.1324   1.0351   8.2072   1.4417   10.117   1.4870  550.894   50.902  613.810   47.120 -62.91608 69.36362 
1 1 1    3   41   28 f  786.243   34.510   16.718   1.3868   14.495   1.9308   19.087   1.9931  730.080   51.440  842.406   46.019 -112.3259 69.02055 
1 1 1    3   41   30 o  355.003   39.176   3.6050   0.6690   2.4964   0.9503   4.6940   0.9419  292.310   64.926  417.695   43.862 -125.3849 78.35293 
1 1 1    3   41   32 o  266.632   55.062   2.1166   0.7812   2.5971   1.2890   1.8377   0.9821  286.863   82.798  246.400   72.606 40.46300 110.1234 
1 1 1    3   41   34 o  754.859   33.893   15.679   1.3146   15.041   1.8550   16.322   1.8631  738.471   48.859  771.248   46.987 -32.77649 67.78624 
1 1 1    3   41   36 o  129.220   37.216   0.2510   0.3638   0.3331   0.6585   0.2150   0.4364  141.439   57.591  117.002   47.153 24.43623 74.43180 
1 1 1    3   41   38 o  252.525   40.314   1.9270   0.5093   1.7353   0.7680   2.0775   0.6804  237.798   62.131  267.252   51.386 -29.45476 80.62755 
1 1 1    3   41   40 o  297.223   39.216   2.6238   0.5846   2.2749   0.8166   2.9904   0.8372  271.857   60.028  322.589   50.479 -50.73157 78.43140 
1 1 1    3   42    1 o  379.172   41.298   3.9125   0.7794   4.4840   1.1038   3.3445   1.1005  410.911   52.250  347.432   63.969 63.47870 82.59656 
1 1 1    3   42    3 o  364.543   44.830   3.8112   0.7844   2.1677   1.1156   5.4184   1.1032  276.150   76.123  452.935   47.373 -176.7860 89.65977 
1 1 1    3   42    5 o  843.589   37.624   18.929   1.6300   20.159   2.3333   17.756   2.2782  870.932   52.109  816.245   54.287 54.68689 75.24890 
1 1 1    3   42    7 o  586.675   35.338   8.7724   1.0390   10.791   1.7207   7.6142   1.3034  636.729   52.564  536.621   47.245 100.1075 70.67563 
1 1 1    3   42    9 o  427.926   36.873   4.6851   0.7844   5.6405   1.3284   4.1737   0.9719  458.853   56.312  396.999   47.619 61.85388 73.74669 
1 1 1    3   42   11 o  748.333   44.144   15.209   1.6797   15.426   2.2298   14.924   2.5539  757.578   57.250  739.089   67.210 18.48889 88.28775 
1 1 1    3   42   13 o  418.530   40.424   4.6279   0.8169   4.4595   0.9905   4.9863   1.4446  409.941   46.997  427.120   65.784 -17.17947 80.84727 
1 1 1    3   42   15 o  366.703   52.823   3.9787   0.8638   4.1724   1.0085   3.4451   1.6737  395.439   49.607  337.967   93.275 57.47205 105.6458 
1 1 1    3   42   17 o  917.275   34.910   22.561   1.6398   20.621   2.3409   24.431   2.2979  876.545   51.944  958.006   46.654 -81.46112 69.81987 
1 1 1    3   42   19 o  481.131   61.274   7.3678   1.3676   8.8448   1.7320   4.9223   2.2287  569.624   59.142  392.637  107.333 176.9873 122.5484 
1 1 1    3   42   21 o  1103.53   34.283   32.680   1.9370   36.345   2.7615   29.131   2.7177  1166.73   46.037  1040.32   50.811 126.4125 68.56523 
1 1 1    3   42   23 o  322.475   39.157   2.8595   0.6277   3.4988   0.9185   2.2994   0.8597  360.463   49.563  284.488   60.635 75.97479 78.31345 
1 1 1    3   42   25 o  683.184   34.664   12.598   1.2171   13.040   1.7273   12.163   1.7151  695.552   48.302  670.815   49.731 24.73700 69.32739 
1 1 1    3   42   27 o  285.516   40.968   2.3183   0.5893   1.8737   0.8445   2.7402   0.8227  253.558   64.599  317.474   50.402 -63.91612 81.93504 
1 1 1    3   42   29 o  251.934   40.527   1.8362   0.5129   1.9735   0.7006   1.6776   0.7528  263.771   53.492  240.098   60.896 23.67285 81.05358 
1 1 1    3   42   31 o  432.456   56.188   5.6613   1.1787   5.8893   1.9359   5.5270   1.4858  427.137   90.942  437.774   66.016 -10.63773 112.3766 
1 1 1    3   42   33 o  261.732   48.378   2.2166   0.6546   2.4811   0.7635   1.4826   1.2719  299.322   49.616  224.143   83.066 75.17918 96.75548 
1 1 1    3   42   35 o  262.815   45.747   2.1200   0.6098   2.0035   0.9449   2.2031   0.7983  253.114   70.172  272.516   58.713 -19.40160 91.49443 
1 1 1    3   42   37 f  266.541   39.922   2.1321   0.5523   1.1957   0.7685   3.1324   0.7943  198.186   65.169  334.896   46.133 -136.7092 79.84497 
1 1 1    3   43    0 o  375.977  105.411   4.5965   1.7635   0.0000   0.0000   4.5965   1.7635  375.977  105.411  375.977  105.411 0.000000 0.000000 
1 1 1    3   43    2 o  439.194   58.319   5.4585   1.2818   6.7000   1.8860   4.3930   1.7473  492.230   74.527  386.157   89.723 106.0728 116.6384 
1 1 1    3   43    4 o  922.971   55.394   24.010   2.5922   20.874   3.7906   26.764   3.5528  858.432   85.889  987.511   69.978 -129.0789 110.7877 
1 1 1    3   43    6 o  269.366   51.220   2.0792   0.7165   2.1397   0.9216   1.9868   1.1395  275.036   66.011  263.695   78.335 11.34140 102.4394 
1 1 1    3   43    8 o  179.473   44.252   0.7981   0.5065   0.9629   0.7047   0.6221   0.7284  190.522   62.390  168.425   62.774 22.09744 88.50471 
1 1 1    3   43   10 o  254.199   45.143   1.8970   0.5770   2.0985   0.7085   1.5002   0.9942  276.166   51.804  232.231   73.944 43.93507 90.28519 
1 1 1    3   43   12 f  270.250   40.679   2.0675   0.5442   2.2502   0.7250   1.8314   0.8239  286.227   51.141  254.273   63.275 31.95480 81.35773 
1 1 1    3   43   14 o  611.812   30.830   9.9334   0.9635   11.387   1.3807   8.5536   1.3451  656.606   40.900  567.019   46.142 89.58710 61.65968 
1 1 1    3   43   16 o  395.455   52.290   4.4021   0.9297   4.3287   1.0921   4.5953   1.7719  400.789   53.000  390.121   90.154 10.66721 104.5791 
1 1 1    3   43   18 o  518.361   54.504   7.0461   1.3592   5.2153   1.6665   10.684   2.3491  421.935   79.745  614.788   74.320 -192.8537 109.0080 
1 1 1    3   43   20 o  372.002   42.690   4.0397   0.7402   6.5077   1.0738   1.8051   1.0218  494.866   42.206  249.138   74.218 245.7282 85.37967 
1 1 1    3   43   22 o  597.499   35.320   9.6442   1.0842   10.001   1.5272   9.2816   1.5393  609.328   48.752  585.670   51.121 23.65851 70.64046 
1 1 1    3   43   24 o  665.045   35.388   11.982   1.2097   12.327   1.7280   11.650   1.6941  674.593   49.823  655.498   50.269 19.09467 70.77670 
1 1 1    3   43   26 o  620.665   35.448   10.512   1.1261   9.4004   1.5889   11.633   1.5960  585.756   52.762  655.573   47.354 -69.81622 70.89581 
1 1 1    3   43   28 f  486.710   53.790   7.1806   1.1303   6.6976   2.1587   7.3630   1.3267  454.702   95.387  518.718   49.748 -64.01535 107.5801 
1 1 1    3   43   30 o  499.595   42.081   7.1264   1.0517   7.3552   1.3601   6.7861   1.6586  515.612   51.308  483.577   66.714 32.03564 84.16178 
1 1 1    3   43   32 o  448.974   53.453   6.3393   1.0431   6.5799   1.2309   5.7264   1.9647  487.244   49.139  410.703   94.945 76.54099 106.9068 
1 1 1    3   43   34 o  500.629   41.431   7.1437   1.0353   7.7124   1.6976   6.8069   1.3063  510.112   64.729  491.147   51.733 18.96570 82.86242 
1 1 1    3   43   36 o  360.606   37.716   3.7395   0.6987   3.5740   0.9853   3.9069   0.9909  351.746   54.486  369.465   52.164 -17.71869 75.43123 
1 1 1    3   44    1 o  187.539   48.433   0.8003   0.6266   0.4009   0.9152   1.1527   0.8598  167.586   68.024  207.493   68.963 -39.90692 96.86669 
1 1 1    3   44    3 o  533.894   56.071   8.0365   1.5335   7.9136   2.2515   8.1428   2.0945  527.879   82.962  539.910   75.454 -12.03094 112.1427 
1 1 1    3   44    5 o  699.264   45.259   13.115   1.5683   12.448   1.9532   14.324   2.6314  679.669   55.895  718.859   71.200 -39.18958 90.51884 
1 1 1    3   44    7 o  212.670   38.348   1.2624   0.4202   1.2791   0.5766   1.2434   0.6135  214.326   52.696  211.014   55.726 3.311844 76.69637 
1 1 1    3   44    9 o  941.744   31.227   23.512   1.5096   25.302   2.1590   21.800   2.1115  977.572   42.957  905.917   45.334 71.65503 62.45419 
1 1 1    3   44   11 o  627.997   31.320   10.471   1.0087   11.455   1.4428   9.5304   1.4107  657.567   42.678  598.427   45.852 59.13965 62.64037 
1 1 1    3   44   13 o  584.969   38.063   9.4062   1.0875   9.8493   1.3647   8.6356   1.7999  609.017   43.585  560.921   62.413 48.09583 76.12521 
1 1 1    3   44   15 o  736.118   38.687   14.578   1.4547   13.804   1.9317   15.591   2.2110  715.195   52.534  757.040   56.806 -41.84418 77.37402 
1 1 1    3   44   17 o  583.323   41.586   9.1976   1.2148   9.8510   1.9772   8.8013   1.5398  596.128   64.512  570.518   52.494 25.60986 83.17120 
1 1 1    3   44   19 o  838.111   35.178   18.967   1.5111   17.265   2.1308   20.690   2.1433  798.481   51.906  877.742   47.495 -79.26044 70.35600 
1 1 1    3   44   21 o  405.955   37.145   4.4906   0.7735   4.2030   1.1017   4.7702   1.0862  392.199   54.639  419.712   50.335 -27.51273 74.29079 
1 1 1    3   44   23 o  417.181   39.607   4.8626   0.7976   6.4730   1.1586   3.4120   1.0996  490.180   45.972  344.182   64.510 145.9981 79.21417 
1 1 1    3   44   25 o  186.637   37.926   0.8453   0.4356   1.6997   0.6576   0.1772   0.5815  244.368   53.800  128.907   53.469 115.4612 75.85136 
1 1 1    3   44   27 o  323.073   53.654   3.2168   0.8032   2.9857   1.6056   3.2939   0.9277  300.776   93.731  345.370   52.245 -44.59332 107.3077 
1 1 1    3   44   29 o  223.245   44.769   1.5423   0.5631   1.9320   0.7208   0.9318   0.9021  258.156   55.926  188.333   69.924 69.82227 89.53830 
1 1 1    3   44   31 o  223.481   51.520   1.4554   0.6064   1.4100   0.6859   1.6179   1.2975  217.698   59.560  229.264   84.082 -11.56555 103.0401 
1 1 1    3   44   33 o  570.787   42.925   9.7065   1.2001   8.7550   1.9408   10.295   1.5269  535.571   70.486  606.003   49.008 -70.43182 85.84943 
1 1 1    3   44   35 o  407.605   40.956   4.9269   0.8241   5.8840   1.1769   4.0063   1.1543  454.313   50.388  360.896   64.581 93.41757 81.91296 
1 1 1    3   45    0 o  460.614   72.461   6.7767   1.4541   9.8148   2.1193   4.0740   1.9989  593.585   72.309  327.642  125.593 0.000000 0.000000 
1 1 1    3   45    2 o  613.484   40.107   10.222   1.2459   8.1419   1.7331   12.447   1.7924  545.769   61.766  681.197   51.180 -135.4279 80.21458 
1 1 1    3   45    4 o  1306.81   38.240   46.054   2.5691   45.505   3.6359   46.602   3.6306  1298.60   54.458  1315.03   53.700 -16.43140 76.48091 
1 1 1    3   45    6 o  827.449   38.469   18.509   1.6338   17.455   2.3210   19.544   2.3003  802.713   56.240  852.185   52.502 -49.47192 76.93781 
1 1 1    3   45    8 o  347.817   33.756   3.2372   0.6025   3.0380   0.8554   3.4334   0.8489  336.710   49.415  358.925   46.001 -22.21445 67.51256 
1 1 1    3   45   10 f  384.569   33.346   3.9504   0.6591   4.0837   0.9433   3.8232   0.9214  390.978   46.925  378.159   47.391 12.81943 66.69260 
1 1 1    3   45   12 o  347.694   46.366   3.4137   0.7934   3.2347   1.0544   3.6475   1.2047  338.253   62.945  357.134   68.097 -18.88098 92.73231 
1 1 1    3   45   14 o  316.468   39.527   2.7163   0.6189   3.0261   0.9838   2.5135   0.7961  327.601   60.643  305.336   50.713 22.26538 79.05344 
1 1 1    3   45   16 o  436.993   38.424   5.1913   0.8614   5.6654   1.2373   4.7454   1.1999  457.078   52.652  416.909   55.978 40.16861 76.84878 
1 1 1    3   45   18 o  490.053   37.623   6.5520   0.9371   5.3930   1.3064   7.7807   1.3450  443.081   57.348  537.024   48.716 -93.94260 75.24652 
1 1 1    3   45   20 o  759.076   35.920   15.672   1.3993   14.599   1.9737   16.756   1.9842  731.553   52.477  786.599   49.063 -55.04626 71.83989 
1 1 1    3   45   22 o  432.157   38.083   5.1279   0.8330   6.3280   1.2118   4.0524   1.1471  482.569   48.841  381.745   58.444 100.8234 76.16557 
1 1 1    3   45   24 o  344.586   39.692   3.3476   0.6845   3.1774   0.9958   3.5000   0.9426  332.230   60.528  356.943   51.363 -24.71231 79.38346 
1 1 1    3   45   26 o  313.267   58.127   3.0944   0.9159   3.1371   1.5833   3.0729   1.1229  307.270   92.582  319.264   70.309 -11.99445 116.2533 
1 1 1    3   45   28 o  824.624   35.608   18.867   1.5090   18.148   2.1178   19.610   2.1507  807.890   50.987  841.359   49.720 -33.46930 71.21631 
1 1 1    3   45   30 o  180.865   47.924   0.5463   0.5177   0.2513   0.5815   1.6737   1.1368  131.244   53.854  230.487   79.288 -99.24330 95.84769 
1 1 1    3   45   32 o  150.168   38.255   0.5561   0.3759   0.7873   0.5869   0.3952   0.4895  167.026   56.981  133.309   51.060 33.71703 76.51060 
1 1 1    3   45   34 o  403.290   38.006   4.7181   0.7874   4.5206   1.1114   4.9173   1.1158  393.828   54.888  412.754   52.583 -18.92590 76.01100 
1 1 1    3   46    1 o  158.128   41.088   0.5709   0.4402   0.4763   0.6396   0.6560   0.6067  152.887   58.411  163.370   57.803 -10.48338 82.17667 
1 1 1    3   46    3 o  794.706   39.010   17.163   1.5828   14.821   2.2218   19.576   2.2553  736.832   58.651  852.580   51.452 -115.7485 78.02072 
1 1 1    3   46    5 o  365.587   44.544   3.8388   0.7896   2.5703   1.1234   5.0777   1.1102  296.375   73.962  434.799   49.663 -138.4245 89.08876 
1 1 1    3   46    7 o  618.127   45.781   9.8407   1.2692   9.1097   1.4526   12.200   2.6095  582.784   48.481  653.470   77.672 -70.68671 91.56106 
1 1 1    3   46    9 o  596.556   41.140   9.7541   1.2572   10.070   1.7270   9.3984   1.8338  608.635   55.189  584.477   61.025 24.15820 82.27964 
1 1 1    3   46   11 o  836.227   39.995   19.058   1.7121   18.743   2.3094   19.443   2.5510  830.653   54.077  841.801   58.942 -11.14777 79.99072 
1 1 1    3   46   13 o  163.662   39.289   0.6844   0.4037   0.4587   0.5853   0.8893   0.5576  147.674   56.007  179.650   55.115 -31.97601 78.57809 
1 1 1    3   46   15 o  269.826   40.075   2.0338   0.5356   2.3355   0.8129   1.8024   0.7120  287.540   57.000  252.112   56.348 35.42801 80.15047 
1 1 1    3   46   17 o  676.309   33.418   12.149   1.1528   10.746   1.5209   14.044   1.7674  631.392   46.853  721.227   47.664 -89.83527 66.83640 
1 1 1    3   46   19 o  455.596   40.408   5.7968   0.9188   7.4413   1.3180   4.2418   1.2816  523.430   48.976  387.762   64.286 135.6684 80.81696 
1 1 1    3   46   21 o  399.060   39.204   4.4334   0.7965   5.0923   1.1263   3.7741   1.1266  431.190   50.806  366.931   59.720 64.25925 78.40777 
1 1 1    3   46   23 o  856.917   53.155   22.510   2.0002   19.828   3.8132   23.529   2.3493  787.581   94.171  926.253   49.333 -138.6716 106.3109 
1 1 1    3   46   25 o  621.623   54.885   11.661   1.6735   11.886   2.7964   11.535   2.0889  611.360   88.967  631.885   64.300 -20.52472 109.7708 
1 1 1    3   46   27 o  476.716   36.989   6.3637   0.9063   6.1670   1.2644   6.5716   1.2996  469.052   52.433  484.381   52.188 -15.32904 73.97863 
1 1 1    3   46   29 o  385.004   61.956   4.9108   1.1534   4.7376   1.4224   5.2434   1.9709  389.065   73.809  380.943   99.531 8.121643 123.9122 
1 1 1    3   46   31 o  626.127   37.121   11.252   1.1819   13.032   1.6767   9.4935   1.6663  680.871   47.900  571.383   56.722 109.4880 74.24125 
1 1 1    3   46   33 o  334.583   43.484   3.4430   0.7152   4.8848   1.0418   2.1581   0.9835  413.597   48.995  255.569   71.854 158.0276 86.96832 
1 1 1    3   47    0 o  125.764   75.656   0.4716   0.8852   0.0000   0.0000   0.4716   0.8852  125.764   75.656  125.764   75.656 -0.000000 0.000000 
1 1 1    3   47    2 o  405.482   53.431   4.7100   1.0218   4.6277   1.2457   4.8794   1.7863  410.736   58.992  400.228   89.103 10.50763 106.8611 
1 1 1    3   47    4 o  1623.83   49.817   73.856   3.8431   73.144   4.6368   75.418   6.8689  1639.29   55.016  1608.38   83.067 30.91382 99.63441 
1 1 1    3   47    6 o  492.989   63.383   7.4229   1.5437   8.5271   2.1107   6.1532   2.2634  546.310   75.148  439.668  102.091 106.6414 126.7668 
1 1 1    3   47    8 o  271.455   50.373   2.2213   0.7272   1.6135   1.1141   2.6727   0.9600  237.187   78.486  305.723   63.164 -68.53650 100.7456 
1 1 1    3   47   10 o  466.068   37.096   5.9200   0.8692   5.8061   1.3698   5.9968   1.1247  459.516   57.982  472.620   46.286 -13.10388 74.19121 
1 1 1    3   47   12 o  317.600   39.864   2.6925   0.6259   3.4449   1.0159   2.2321   0.7946  354.440   55.748  280.760   56.996 73.68039 79.72704 
1 1 1    3   47   14 o  342.807   34.232   3.1704   0.6024   3.3565   0.8822   3.0079   0.8245  352.085   48.736  333.529   48.083 18.55530 68.46309 
1 1 1    3   47   16 o  412.104   32.982   4.6035   0.6883   5.6097   0.9907   3.6648   0.9569  457.643   42.107  366.564   50.776 91.07889 65.96329 
1 1 1    3   47   18 o  385.209   39.299   4.1031   0.7751   4.1992   1.1538   4.0241   1.0464  388.170   57.817  382.248   53.243 5.921936 78.59814 
1 1 1    3   47   20 o  247.291   43.923   1.7876   0.5647   1.3898   0.7812   2.2231   0.8173  217.607   64.909  276.975   59.191 -59.36877 87.84530 
1 1 1    3   47   22 o  650.603   52.694   11.968   1.7081   15.646   2.8856   9.9841   2.1194  719.014   78.059  582.191   70.806 136.8226 105.3883 
1 1 1    3   47   24 o  560.337   43.890   9.2553   1.2185   10.228   1.5966   7.8988   1.8856  606.130   51.234  514.544   71.278 91.58575 87.78096 
1 1 1    3   47   26 o  329.537   42.413   3.1494   0.6963   3.9389   1.0298   2.4845   0.9451  373.296   53.659  285.779   65.699 87.51706 84.82661 
1 1 1    3   47   28 o  274.426   58.167   2.6806   0.9179   3.0803   1.1068   1.8001   1.6426  313.354   70.416  235.498   92.601 77.85651 116.3333 
1 1 1    3   47   30 o  468.483   38.921   6.3840   0.9308   7.1960   1.3213   5.5838   1.3116  501.731   51.221  435.235   58.615 66.49609 77.84156 
1 1 1    3   48    1 o  392.986   64.917   4.8145   1.2979   5.7431   1.8552   3.9242   1.8164  435.315   85.942  350.657   97.317 84.65891 129.8331 
1 1 1    3   48    3 o  524.091   63.981   8.3629   1.6690   9.6564   2.3743   7.0994   2.3467  575.100   80.302  473.082   99.630 102.0175 127.9630 
1 1 1    3   48    5 o  354.403   53.189   3.8594   0.9036   3.1138   1.5626   4.2341   1.1076  315.346   91.204  393.461   54.754 -78.11472 106.3774 
1 1 1    3   48    7 o  234.221   49.659   1.5034   0.6398   2.1112   1.0343   1.1265   0.8143  266.689   73.207  201.754   67.119 64.93494 99.31889 
1 1 1    3   48    9 o  391.967   33.948   4.1632   0.6821   3.9545   0.9853   4.3553   0.9452  381.605   50.220  402.330   45.694 -20.72443 67.89691 
1 1 1    3   48   11 o  159.527   35.800   0.6673   0.3557   0.2695   0.5247   1.0058   0.4840  129.971   51.941  189.083   49.282 -59.11234 71.59995 
1 1 1    3   48   13 o  237.280   36.579   1.5999   0.4472   1.0667   0.6376   2.1162   0.6275  193.988   58.821  280.572   43.499 -86.58440 73.15810 
1 1 1    3   48   15 o  434.997   33.757   5.1587   0.7512   4.5903   1.0610   5.7301   1.0637  409.546   50.389  460.447   44.933 -50.90082 67.51380 
1 1 1    3   48   17 o  308.103   37.382   2.6611   0.5765   2.3735   0.8125   2.9526   0.8180  287.524   56.977  328.682   48.409 -41.15863 74.76495 
1 1 1    3   48   19 o  397.379   60.616   5.4472   1.0857   4.0122   2.1537   5.9361   1.2571  332.473  109.084  462.284   52.894 -129.8116 121.2320 
1 1 1    3   48   21 o  405.051   62.382   6.0834   1.3292   2.8835   2.1961   7.9336   1.6699  284.753  108.367  525.350   61.825 -240.5965 124.7630 
1 1 1    3   48   23 o  375.599   40.632   4.1059   0.7525   3.4624   1.0894   4.6933   1.0407  340.280   64.632  410.918   49.260 -70.63797 81.26371 
1 1 1    3   48   25 o  433.142   45.206   5.4609   0.9631   5.8351   1.6255   5.2584   1.1955  436.407   72.448  429.877   54.091 6.529541 90.41290 
1 1 1    3   48   27 o  233.919   56.220   1.7720   0.7760   1.7354   0.9353   1.8527   1.3899  232.851   71.371  234.987   86.884 -2.136230 112.4397 
1 1 1    3   48   29 o  181.890   40.882   0.9660   0.4676   1.4532   0.6450   0.4260   0.6790  218.394   56.878  145.387   58.739 73.00717 81.76474 
1 1 1    3   49    0 o  216.383   62.959   1.7141   0.8695   2.9867   1.2322   0.4523   1.2270  295.629   92.424  137.137   85.517 0.000000 0.000000 
1 1 1    3   49    2 o  534.565   41.342   7.9282   1.1357   8.0892   1.5959   7.7631   1.6166  540.769   57.401  528.361   59.512 12.40845 82.68393 
1 1 1    3   49    4 o  779.524   39.846   16.787   1.5937   15.552   2.2437   18.043   2.2641  748.708   58.288  810.340   54.346 -61.63257 79.69274 
1 1 1    3   49    6 o  295.299   46.274   2.5610   0.6862   2.1677   0.9785   2.9415   0.9624  270.151   69.913  320.447   60.639 -50.29590 92.54719 
1 1 1    3   49    8 o  318.993   42.518   2.8871   0.6652   2.7178   0.8724   3.1222   1.0282  309.288   56.961  328.698   63.141 -19.41006 85.03678 
1 1 1    3   49   10 o  711.427   33.021   13.760   1.2020   12.285   1.6999   15.236   1.6998  671.086   49.268  751.767   43.980 -80.68054 66.04228 
1 1 1    3   49   12 o  536.180   32.635   7.8022   0.8995   7.9398   1.2779   7.6671   1.2665  540.992   45.946  531.368   46.358 9.623779 65.26929 
1 1 1    3   49   14 o  617.753   32.443   10.373   1.0298   10.868   1.4709   9.8973   1.4422  632.683   45.221  602.824   46.532 29.85925 64.88596 
1 1 1    3   49   16 o  516.041   40.841   7.5052   1.0333   7.5091   1.2878   7.4982   1.7312  523.363   47.862  508.720   66.190 14.64273 81.68181 
1 1 1    3   49   18 o  382.954   44.265   4.0850   0.8324   5.5929   1.3276   3.1081   1.0686  443.857   58.176  322.051   66.731 121.8066 88.52934 
1 1 1    3   49   20 o  214.823   47.466   1.2598   0.5692   0.8958   0.7039   1.9471   0.9674  179.408   62.353  250.238   71.582 -70.82951 94.93105 
1 1 1    3   49   22 o  715.001   38.458   14.580   1.3992   12.354   1.9730   16.833   1.9845  654.298   58.651  775.704   49.762 -121.4055 76.91691 
1 1 1    3   49   24 o  386.511   55.384   4.4439   0.9722   3.9910   1.1317   5.7193   1.8992  369.377   59.594  403.644   93.372 -34.26657 110.7688 
1 1 1    3   49   26 o  157.354   45.953   0.4463   0.5710   0.3529   0.6942   0.6416   1.0039  142.839   58.754  171.869   70.672 -29.03018 91.90504 
1 1 1    3   50    1 o  449.821   46.810   5.9053   1.0051   3.9499   1.3973   8.0020   1.4469  360.171   77.739  539.471   52.166 -179.3004 93.62020 
1 1 1    3   50    3 o  182.774   39.498   0.8523   0.4795   1.5858   0.6541   0.0000   0.7051  235.121   55.078  130.427   56.628 104.6939 78.99531 
1 1 1    3   50    5 o  597.123   43.119   10.198   1.2844   7.6297   1.8219   12.736   1.8111  513.795   68.970  680.450   51.769 -166.6548 86.23714 
1 1 1    3   50    7 o  649.006   40.205   11.772   1.3400   11.277   1.9067   12.256   1.8835  633.983   58.496  664.029   55.171 -30.04620 80.40913 
1 1 1    3   50    9 o  237.388   41.533   1.6456   0.5088   1.3403   0.7184   1.9528   0.7208  214.093   61.818  260.682   55.484 -46.58957 83.06609 
1 1 1    3   50   11 o  270.178   39.548   2.1082   0.5299   2.0276   0.7787   2.1778   0.7232  263.758   58.911  276.598   52.778 -12.83936 79.09524 
1 1 1    3   50   13 o  357.424   36.121   3.5388   0.6636   3.5551   0.9505   3.5232   0.9268  357.941   51.648  356.907   50.510 1.034119 72.24107 
1 1 1    3   50   15 f  554.421   40.364   8.7356   1.1001   8.5734   1.8227   8.8286   1.3797  542.366   65.367  566.475   47.374 -24.10889 80.72865 
1 1 1    3   50   17 o  177.273   43.208   0.8832   0.4868   0.5881   0.7812   1.0706   0.6225  163.068   63.941  191.478   58.130 -28.41051 86.41518 
1 1 1    3   50   19 o  390.540   37.566   4.1875   0.7412   3.3079   0.9668   5.4412   1.1542  340.825   55.177  440.256   50.993 -99.43082 75.13210 
1 1 1    3   50   21 o  283.738   46.244   2.4867   0.6665   1.9865   0.9366   2.9997   0.9487  250.717   69.991  316.760   60.458 -66.04306 92.48726 
1 1 1    3   50   23 o  254.780   56.516   1.6597   0.8324   0.7137   0.9910   3.9271   1.5342  175.173   70.895  334.388   88.035 -159.2143 113.0319 
1 1 1    3   50   25 o  172.528   44.010   0.7965   0.4689   1.0749   0.8497   0.6745   0.5624  188.833   68.226  156.222   55.611 32.61154 88.01930 
1 1 1    3   51    0 o   98.178   45.438   0.0000   0.5326   0.0000   0.9393   0.0000   0.6466  106.713   69.711   89.644   58.301 0.000000 0.000000 
1 1 1    3   51    2 o  225.320   45.403   1.4918   0.5977   0.7335   0.8592   2.2028   0.8319  176.333   67.621  274.307   60.607 -97.97385 90.80608 
1 1 1    3   51    4 f  295.019   47.005   2.6369   0.7016   2.0481   1.0136   3.1784   0.9720  258.378   73.050  331.660   59.174 -73.28214 94.01015 
1 1 1    3   51    6 o  295.453   45.618   2.5807   0.7098   3.8543   1.0293   1.4262   0.9800  371.698   53.864  219.208   73.639 152.4904 91.23583 
1 1 1    3   51    8 o  372.418   46.258   4.1532   0.8325   6.1451   1.2078   2.3507   1.1490  471.616   49.814  273.220   77.960 198.3965 92.51639 
1 1 1    3   51   10 o  246.857   39.011   1.7921   0.5080   1.0282   0.7250   2.5288   0.7120  189.732   63.340  303.983   45.559 -114.2507 78.02249 
1 1 1    3   51   12 o  354.009   43.595   3.6776   0.7153   3.5841   1.2585   3.7222   0.8694  339.862   74.112  368.158   45.930 -28.29599 87.19052 
1 1 1    3   51   14 o  337.023   49.000   3.7373   0.8506   1.7972   1.2669   5.3296   1.1477  237.671   83.589  436.374   51.156 -198.7034 98.00021 
1 1 1    3   51   16 o  600.463   35.866   10.005   1.1007   8.8323   1.4701   11.500   1.6604  560.614   51.005  640.312   50.438 -79.69751 71.73203 
1 1 1    3   51   18 o  477.833   36.648   6.4921   0.8896   6.6420   1.1835   6.2975   1.3488  488.006   47.172  467.659   56.099 20.34662 73.29578 
1 1 1    3   51   20 o  540.039   33.825   8.2015   0.9381   7.7574   1.3202   8.6544   1.3334  524.137   48.992  555.942   46.650 -31.80450 67.64960 
1 1 1    3   51   22 o  423.020   61.682   5.4355   1.2729   3.6512   1.5267   9.5032   2.3051  316.669   89.697  529.370   84.696 -212.7013 123.3646 
1 1 1    3   52    1 o  716.916   41.891   14.693   1.5386   13.320   2.1635   16.098   2.1886  679.687   61.914  754.144   56.446 -74.45660 83.78235 
1 1 1    3   52    3 o  248.755   48.381   1.8578   0.6450   2.3707   0.9620   1.4388   0.8694  279.107   67.727  218.403   69.107 60.70334 96.76168 
1 1 1    3   52    5 o  257.083   47.902   2.0057   0.6430   2.2964   0.9452   1.7552   0.8773  274.526   67.451  239.640   68.036 34.88522 95.80439 
1 1 1    3   52    7 o  643.877   53.260   12.367   1.6042   13.343   2.9534   11.958   1.9106  640.110   89.743  647.644   57.381 -7.534058 106.5191 
1 1 1    3   52    9 o  636.785   55.794   12.377   1.6494   13.160   3.0506   12.054   1.9607  626.015   94.783  647.556   58.892 -21.54138 111.5884 
1 1 1    3   52   11 o  242.808   44.160   1.5442   0.6899   0.0000   0.9289   3.4433   1.0302  144.721   63.854  340.895   61.018 -196.1741 88.32062 
1 1 1    3   52   13 o  415.620   39.255   4.9804   0.8228   5.1767   1.0831   4.7124   1.2654  430.088   48.980  401.153   61.357 28.93515 78.50970 
1 1 1    3   52   15 o  148.928   36.730   0.5058   0.3685   0.1426   0.4939   0.9616   0.5533  116.899   48.949  180.958   54.776 -64.05866 73.45994 
1 1 1    3   52   17 o  498.833   34.281   7.0130   0.8769   7.6741   1.2585   6.3891   1.2226  523.187   46.788  474.480   50.117 48.70688 68.56212 
1 1 1    3   52   19 o  354.119   49.757   4.0268   0.8677   4.2771   1.1271   3.6627   1.3596  380.855   57.560  327.384   81.177 53.47189 99.51331 
1 1 1    3   53    0 o  534.573   98.613   9.0774   2.4386   9.0774   2.4386   0.0000   0.0000  534.573   98.613  534.573   98.613 -0.000000 0.000000 
1 1 1    3   53    2 o  682.900   63.444   15.447   2.2119   14.792   3.2467   16.015   3.0215  658.529   95.897  707.271   83.093 -48.74176 126.8879 
1 1 1    3   53    4 o  295.161   58.125   2.9600   1.0594   1.0874   1.5563   4.5771   1.4462  210.345   87.380  379.977   76.672 -169.6317 116.2491 
1 1 1    3   53    6 o  162.583   47.140   0.4911   0.6238   0.5645   0.9550   0.4364   0.8238  168.894   69.127  156.271   64.110 12.62227 94.27952 
1 1 1    3   53    8 o  156.485   43.179   0.5056   0.4974   0.2942   0.6415   0.8244   0.7877  137.464   56.506  175.506   65.306 -38.04242 86.35889 
1 1 1    3   53   10 o  220.280   46.811   1.4776   0.5553   1.4160   0.6877   1.5931   0.9413  216.203   59.836  224.356   72.005 -8.153503 93.62217 
1 1 1    3   53   12 o  339.316   38.158   3.3463   0.6446   2.8857   0.9078   3.8146   0.9155  310.475   59.031  368.156   48.368 -57.68024 76.31624 
1 1 1    3   53   14 o  530.441   35.137   7.9877   0.9488   9.4031   1.3692   6.6799   1.3160  579.284   45.972  481.598   53.152 97.68689 70.27448 
1 1 1    3   53   16 o  268.428   44.967   2.4889   0.6436   3.1030   0.7957   1.3269   1.0945  331.496   46.685  205.361   76.867 126.1354 89.93347 
1 1 1    3   54    1 o  583.344   44.826   10.189   1.3164   8.0419   1.8465   12.407   1.8771  511.303   70.244  655.385   55.708 -144.0814 89.65230 
1 1 1    3   54    3 o  375.661   46.258   4.2820   0.8759   4.3668   1.2475   4.1996   1.2300  382.402   63.453  368.921   67.328 13.48117 92.51651 
1 1 1    3   54    5 o  319.499   47.027   3.1616   0.7474   3.4448   1.0750   2.8965   1.0399  335.169   64.726  303.830   68.240 31.33914 94.05367 
1 1 1    3   54    7 o  152.914   41.677   0.5115   0.4660   0.8245   0.7125   0.2776   0.6160  171.944   62.421  133.883   55.242 38.06108 83.35458 
1 1 1    3   54    9 o  354.271   46.535   3.8501   0.8261   4.4918   1.2001   3.2724   1.1388  388.958   60.013  319.585   71.137 69.37350 93.07008 
1 1 1    3   54   11 o  338.178   38.724   3.3701   0.6543   3.0299   0.9295   3.7044   0.9212  316.161   59.361  360.194   49.745 -44.03293 77.44850 
1 1 1    3   55    0 o  629.532   72.082   12.970   2.1478   13.214   3.1039   12.747   2.9752  633.326  103.672  625.737  100.178 0.000000 0.000000 
1 1 1    3   55    2 o  624.513   44.929   11.866   1.4331   13.290   2.0368   10.470   2.0167  667.858   59.320  581.168   67.495 86.68994 89.85809 
1 1 1    3   55    4 o  269.793   50.435   2.3884   0.7282   1.7711   1.0157   3.0414   1.0447  230.276   74.882  309.310   67.582 -79.03398 100.8693 
1 1 1    4    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0    2 o  953.937   41.230   23.699   2.0027   23.997   2.9062   23.430   2.7637  959.442   59.439  948.433   57.154 0.000000 0.000000 
1 1 1    4    0    4 o   99.736   35.924   0.3736   0.2329   0.3258   0.3295   0.4213   0.3291   94.004   50.138  105.469   51.464 -0.000000 0.000000 
1 1 1    4    0    6 o  1824.50   37.947   86.011   3.5508   82.962   5.0222   89.058   5.0209  1791.92   54.628  1857.08   52.683 -0.000000 0.000000 
1 1 1    4    0    8 o  580.882   39.497   8.9346   1.1542   8.8038   1.6403   9.0628   1.6244  576.326   56.613  585.438   55.091 -0.000000 0.000000 
1 1 1    4    0   10 o  760.012   39.160   15.120   1.5115   15.169   2.1407   15.071   2.1344  761.278   55.368  758.745   55.394 -0.000000 0.000000 
1 1 1    4    0   12 o  2443.09   54.663  154.054   6.8582   0.0000   0.0000  154.054   6.8582  2443.09   54.663  2443.09   54.663 0.000000 0.000000 
1 1 1    4    0   14 o  847.930   39.452   18.775   1.7027   18.887   2.4022   18.663   2.4139  850.559   55.473  845.301   56.112 0.000000 0.000000 
1 1 1    4    0   16 o  1201.70   39.385   37.525   2.4184   39.443   3.4109   35.587   3.4294  1233.15   54.036  1170.25   57.312 0.000000 0.000000 
1 1 1    4    0   18 o  651.147   40.662   11.238   1.3311   10.255   1.8912   12.202   1.8738  621.255   60.530  681.039   54.312 -0.000000 0.000000 
1 1 1    4    0   20 o  502.160   58.708   6.7824   1.4615   0.0000   0.0000   6.7824   1.4615  502.160   58.708  502.160   58.708 -0.000000 0.000000 
1 1 1    4    0   22 o  907.538   56.368   21.519   2.6068   21.519   2.6068   0.0000   0.0000  907.538   56.368  907.538   56.368 0.000000 0.000000 
1 1 1    4    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0   26 o  1537.85   56.102   61.217   4.4223   61.217   4.4223   0.0000   0.0000  1537.85   56.102  1537.85   56.102 0.000000 0.000000 
1 1 1    4    0   28 o  113.989   59.701   0.4856   0.4606   0.4856   0.4606   0.0000   0.0000  113.989   59.701  113.989   59.701 0.000000 0.000000 
1 1 1    4    0   30 o  768.028   57.552   15.468   2.2432   0.0000   0.0000   15.468   2.2432  768.028   57.552  768.028   57.552 -0.000000 0.000000 
1 1 1    4    0   32 o  505.261   41.383   6.7068   1.0584   0.0000   0.0000   6.7068   1.0584  505.261   41.383  505.261   41.383 -0.000000 0.000000 
1 1 1    4    0   34 o  1085.48   58.001   30.693   3.2158   0.0000   0.0000   30.693   3.2158  1085.48   58.001  1085.48   58.001 -0.000000 0.000000 
1 1 1    4    0   36 o  474.954   42.696   5.9565   1.0232   0.0000   0.0000   5.9565   1.0232  474.954   42.696  474.954   42.696 -0.000000 0.000000 
1 1 1    4    0   38 o  562.976   41.870   8.3163   1.1965   8.3163   1.1965   0.0000   0.0000  562.976   41.870  562.976   41.870 0.000000 0.000000 
1 1 1    4    0   40 o  482.865   42.346   6.1643   1.0327   6.1643   1.0327   0.0000   0.0000  482.865   42.346  482.865   42.346 0.000000 0.000000 
1 1 1    4    0   42 o  1468.38   41.097   55.941   3.0971   0.0000   0.0000   55.941   3.0971  1468.38   41.097  1468.38   41.097 -0.000000 0.000000 
1 1 1    4    0   44 o  368.282   72.882   3.9459   1.2265   0.0000   0.0000   3.9459   1.2265  368.282   72.882  368.282   72.882 -0.000000 0.000000 
1 1 1    4    0   46 o  114.310   57.644   0.5042   0.4190   0.5042   0.4190   0.0000   0.0000  114.310   57.644  114.310   57.644 0.000000 0.000000 
1 1 1    4    0   48 o  459.727   44.214   5.6628   1.0228   0.0000   0.0000   5.6628   1.0228  459.727   44.214  459.727   44.214 -0.000000 0.000000 
1 1 1    4    0   50 o  308.032   50.097   2.6721   0.7304   2.6721   0.7304   0.0000   0.0000  308.032   50.097  308.032   50.097 0.000000 0.000000 
1 1 1    4    0   52 o  544.576   44.184   7.9265   1.2183   7.9265   1.2183   0.0000   0.0000  544.576   44.184  544.576   44.184 0.000000 0.000000 
1 1 1    4    0   54 o   69.680   45.093   0.0000   0.3804   0.0000   0.3804   0.0000   0.0000   69.680   45.093   69.680   45.093 0.000000 0.000000 
1 1 1    4    0   56 o  217.661   60.290   1.5180   0.5836   1.5180   0.5836   0.0000   0.0000  217.661   60.290  217.661   60.290 0.000000 0.000000 
1 1 1    4    0   58 o  404.137   48.683   4.5553   0.9726   4.5553   0.9726   0.0000   0.0000  404.137   48.683  404.137   48.683 0.000000 0.000000 
1 1 1    4    1    1 o  973.910   32.481   24.469   1.6257   23.988   2.3165   24.936   2.2821  964.419   46.718  983.401   45.137 -18.98260 64.96101 
1 1 1    4    1    3 o  1545.76   26.868   61.543   2.1349   60.757   2.9893   62.361   3.0501  1535.70   37.861  1555.82   38.132 -20.11987 53.73515 
1 1 1    4    1    5 o  341.828   26.599   3.0107   0.4673   2.9282   0.6606   3.0933   0.6612  337.132   38.111  346.524   37.116 -9.392456 53.19819 
1 1 1    4    1    7 o  937.747   26.863   22.658   1.2950   23.127   1.8331   22.191   1.8296  947.451   37.632  928.042   38.346 19.40955 53.72672 
1 1 1    4    1    9 o  615.901   27.207   9.7959   0.8584   10.781   1.2159   8.8172   1.2120  646.906   36.559  584.896   40.303 62.00946 54.41424 
1 1 1    4    1   11 o  2938.18   54.439  223.014   8.2236  223.014   8.2236   0.0000   0.0000  2938.18   54.439  ?   ?       ?      ? 
1 1 1    4    1   13 o  475.033   32.798   5.6670   0.7632   6.3302   1.3249   5.3376   0.9337  495.040   52.056  455.025   39.912 40.01535 65.59586 
1 1 1    4    1   15 o  1932.72   33.517   96.368   3.1420   96.169   3.8495   96.766   5.4381  1931.20   38.771  1934.24   54.685 -3.042480 67.03487 
1 1 1    4    1   17 o  513.006   34.701   6.9768   0.8520   7.3041   1.0451   6.3277   1.4715  532.033   38.206  493.979   57.939 38.05402 69.40205 
1 1 1    4    1   19 o  2958.19   33.735  225.388   4.8524  222.551   5.9461  231.045   8.3955  2934.26   39.415  2982.12   54.759 -47.86523 67.46909 
1 1 1    4    1   21 o  837.851   34.700   18.496   1.3998   19.089   1.7190   17.327   2.4118  859.438   38.903  816.264   57.471 43.17365 69.39976 
1 1 1    4    1   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1   25 o  349.712   42.073   3.2469   0.7286   2.5756   1.0251   3.9320   1.0357  309.359   66.436  390.065   51.643 -80.70557 84.14678 
1 1 1    4    1   27 o  431.671   36.639   5.0300   0.7442   5.4123   0.9083   4.2493   1.2979  458.220   38.556  405.122   62.315 53.09796 73.27850 
1 1 1    4    1   29 o  421.731   35.620   4.6606   0.7248   4.7938   0.8908   4.3998   1.2469  431.152   40.187  412.310   58.823 18.84195 71.23949 
1 1 1    4    1   31 o  1074.21   35.846   30.707   1.8405   32.412   2.2606   27.354   3.1700  1120.97   39.225  1027.45   60.010 93.52112 71.69227 
1 1 1    4    1   33 o  1736.45   40.318   78.198   3.5961   82.243   5.0946   74.181   5.0768  1781.58   55.620  1691.32   58.384 90.25354 80.63655 
1 1 1    4    1   35 o  1205.65   28.625   37.558   1.7743   37.660   2.5125   37.457   2.5061  1207.28   40.478  1204.02   40.485 3.252686 57.25006 
1 1 1    4    1   37 o  616.109   28.899   9.8278   0.9153   9.9855   1.2933   9.6696   1.2955  621.100   40.502  611.118   41.234 9.982056 57.79859 
1 1 1    4    1   39 o  1445.73   28.829   54.240   2.1428   54.578   3.0318   53.902   3.0289  1450.28   40.661  1441.19   40.879 9.090454 57.65752 
1 1 1    4    1   41 o  681.602   29.221   12.095   1.0237   11.876   1.4546   12.309   1.4410  675.378   41.893  687.826   40.748 -12.44794 58.44135 
1 1 1    4    1   43 o  634.612   42.681   10.739   1.3813   12.379   1.9673   9.1439   1.9399  684.037   55.941  585.188   64.478 98.84869 85.36241 
1 1 1    4    1   45 o  643.190   30.024   10.858   0.9879   9.4848   1.3748   12.324   1.4205  600.481   44.533  685.900   40.282 -85.41968 60.04848 
1 1 1    4    1   47 o  1193.91   29.870   37.589   1.8334   37.901   2.5918   37.277   2.5939  1199.01   42.044  1188.81   42.440 10.19727 59.73988 
1 1 1    4    1   49 o  586.823   30.975   9.1988   0.9234   7.5913   1.3013   10.830   1.3107  533.222   47.467  640.423   39.807 -107.2018 61.94906 
1 1 1    4    1   51 o  147.548   33.023   0.5495   0.2930   0.8206   0.4256   0.3051   0.4041  172.109   46.841  122.987   46.563 49.12165 66.04666 
1 1 1    4    1   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1   55 o  308.595   34.953   2.6676   0.5340   2.2076   0.7573   3.1226   0.7531  277.496   55.024  339.695   43.120 -62.19873 69.90693 
1 1 1    4    1   57 f  104.943   29.924   0.1599   0.2507   0.0000   0.4075   0.2572   0.3179  100.098   43.254  109.789   41.363 -9.690262 59.84834 
1 1 1    4    1   59 o  379.820   34.519   4.0892   0.6739   4.1151   0.9637   4.0644   0.9428  380.689   49.238  378.950   48.392 1.739044 69.03756 
1 1 1    4    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2    2 o  841.055   28.510   18.223   1.2326   17.836   1.7262   18.626   1.7606  831.947   40.358  850.164   40.281 -18.21741 57.01992 
1 1 1    4    2    4 o  707.766   26.852   12.904   0.9770   12.791   1.3726   13.021   1.3911  704.612   37.890  710.919   38.059 -6.307129 53.70438 
1 1 1    4    2    6 o  1950.52   26.719   98.018   2.6794   97.844   3.7867   98.192   3.7920  1948.79   37.794  1952.26   37.780 -3.467529 53.43865 
1 1 1    4    2    8 o  3414.85   26.977  300.483   4.7358  304.443   6.6907  296.507   6.7042  3437.46   37.859  3392.24   38.441 45.22119 53.95350 
1 1 1    4    2   10 o  2926.81   38.323  221.287   5.7626  232.149   8.1913  210.643   8.1084  2998.20   53.140  2855.42   55.232 142.7820 76.64516 
1 1 1    4    2   12 o  2369.94   54.540  145.121   6.6454  145.121   6.6454   0.0000   0.0000  2369.94   54.540  ?   ?       ?      ? 
1 1 1    4    2   14 o  2001.70   33.125  102.670   3.2339  101.061   3.9719  105.833   5.5699  1979.90   39.020  2023.51   53.539 -43.61267 66.24928 
1 1 1    4    2   16 o  838.206   33.899   18.334   1.3728   18.692   1.6850   17.628   2.3674  851.279   38.500  825.132   55.805 26.14771 67.79744 
1 1 1    4    2   18 f  1051.61   33.708   28.515   1.7227   28.272   2.1119   28.999   2.9782  1046.15   39.265  1057.06   54.800 -10.90796 67.41565 
1 1 1    4    2   20 o  225.126   34.776   1.6154   0.3635   1.9324   0.4220   0.7030   0.7159  273.722   29.988  176.531   62.755 97.19170 69.55221 
1 1 1    4    2   22 o  565.309   40.718   8.3971   1.1583   6.3992   1.6294   10.438   1.6468  495.860   63.916  634.758   50.463 -138.8984 81.43564 
1 1 1    4    2   24 o  2038.34   33.829  105.743   3.3707  102.354   4.1353  112.453   5.8187  1991.86   40.381  2084.83   54.285 -92.96863 67.65747 
1 1 1    4    2   26 o  819.812   33.878   18.062   1.2138   18.764   1.4043   15.991   2.4137  853.534   32.000  786.089   59.723 67.44434 67.75587 
1 1 1    4    2   28 o  1335.72   33.779   45.026   2.2073   42.856   2.7014   49.386   3.8289  1289.16   40.759  1382.28   53.877 -93.12000 67.55754 
1 1 1    4    2   30 o  1729.79   35.263   78.829   2.9264   81.755   3.5862   73.000   5.0625  1780.48   39.177  1679.11   58.643 101.3740 70.52582 
1 1 1    4    2   32 o  1731.68   35.864   79.908   2.9642   84.419   3.6373   70.989   5.1146  1808.82   39.113  1654.54   60.127 154.2828 71.72872 
1 1 1    4    2   34 o  919.241   57.420   21.930   2.7137   21.930   2.7137   0.0000   0.0000  919.241   57.420  ?   ?       ?      ? 
1 1 1    4    2   36 o  1674.06   36.033   74.618   2.8825   78.269   3.5335   67.354   4.9836  1740.01   39.499  1608.12   60.277 131.8894 72.06568 
1 1 1    4    2   38 o  887.324   28.834   20.413   1.3146   19.537   1.8543   21.298   1.8640  868.042   41.550  906.605   39.991 -38.56256 57.66874 
1 1 1    4    2   40 o  796.248   29.567   16.548   1.1997   19.252   1.7097   13.926   1.6838  861.235   38.612  731.261   44.787 129.9746 59.13330 
1 1 1    4    2   42 o  236.054   33.599   1.4928   0.3998   2.0032   0.5801   1.0308   0.5519  277.257   40.695  194.850   53.473 82.40695 67.19733 
1 1 1    4    2   44 o  157.060   38.320   0.4464   0.4078   1.0503   0.6255   0.0000   0.5378  196.793   57.930  117.328   50.178 79.46486 76.64008 
1 1 1    4    2   46 o  1006.57   29.813   26.654   1.5427   26.963   2.1819   26.345   2.1816  1012.55   41.912  1000.60   42.409 11.95447 59.62503 
1 1 1    4    2   48 o  759.658   30.334   15.272   1.1839   15.990   1.6795   14.562   1.6690  777.870   41.996  741.445   43.783 36.42560 60.66852 
1 1 1    4    2   50 o  686.037   30.321   12.515   1.0687   12.075   1.5182   12.947   1.5046  673.561   43.842  698.514   41.897 -24.95306 60.64230 
1 1 1    4    2   52 o  652.005   45.039   11.859   1.4959   13.959   2.1639   9.9359   2.0703  710.791   59.214  593.221   67.880 117.5700 90.07781 
1 1 1    4    2   54 o  521.956   38.086   7.2108   0.9599   8.4814   1.7260   6.6419   1.1550  548.552   61.200  495.359   45.350 53.19272 76.17119 
1 1 1    4    2   56 o  323.751   34.412   2.8958   0.5698   2.8834   0.8473   2.9061   0.7700  321.921   51.195  325.582   45.998 -3.660614 68.82412 
1 1 1    4    2   58 o  364.359   33.593   3.7243   0.6261   3.3952   0.8973   4.0366   0.8741  346.827   50.319  381.891   44.519 -35.06421 67.18588 
1 1 1    4    3    1 o  1274.94   34.171   41.929   2.2397   41.531   3.1470   42.337   3.1883  1268.82   48.242  1281.06   48.408 -12.24487 68.34217 
1 1 1    4    3    3 o  1285.00   35.593   43.828   1.9079   44.741   2.1557   40.529   4.0986  1318.25   31.806  1251.75   63.686 66.49524 71.18639 
1 1 1    4    3    5 o  915.720   32.768   21.481   1.4560   21.189   1.7795   22.071   2.5324  906.878   38.165  924.563   53.276 -17.68512 65.53590 
1 1 1    4    3    7 o  963.379   32.776   24.098   1.5349   24.436   1.8925   23.447   2.6238  973.883   37.797  952.876   53.558 21.00732 65.55195 
1 1 1    4    3    9 o  1437.65   33.258   53.835   2.3274   54.968   2.8792   51.697   3.9533  1460.56   38.343  1414.74   54.352 45.81921 66.51515 
1 1 1    4    3   11 o  1520.01   38.485   59.541   3.0076   59.541   3.0076   0.0000   0.0000  1520.01   38.485  ?   ?       ?      ? 
1 1 1    4    3   13 o  2049.69   33.464  108.849   3.3294  109.702   4.0924  107.179   5.7254  2063.00   38.584  2036.37   54.686 26.62964 66.92791 
1 1 1    4    3   15 o  927.199   32.778   23.039   1.3352   23.886   1.5476   20.572   2.6409  962.950   31.259  891.448   57.622 71.50177 65.55507 
1 1 1    4    3   17 o  1124.10   32.640   33.669   1.6185   34.685   1.8762   30.714   3.2001  1160.01   31.459  1088.19   57.199 71.81653 65.27910 
1 1 1    4    3   19 o  964.583   33.186   25.109   1.4021   26.115   1.6247   22.174   2.7748  1006.11   31.410  923.054   58.470 83.05908 66.37231 
1 1 1    4    3   21 o  765.163   31.527   14.896   1.0856   14.627   1.2556   15.692   2.1611  752.947   32.434  777.378   54.072 -24.43103 63.05342 
1 1 1    4    3   23 o  564.110   39.677   8.2125   1.1507   8.2125   1.1507   0.0000   0.0000  564.110   39.677  ?   ?       ?      ? 
1 1 1    4    3   25 o  385.811   31.097   3.6460   0.5463   3.4404   0.6306   4.2641   1.0934  365.431   33.564  406.191   52.359 -40.75983 62.19324 
1 1 1    4    3   27 o  1406.02   32.931   51.923   2.0517   52.837   2.3749   49.235   4.0735  1432.30   32.250  1379.73   57.425 52.56409 65.86130 
1 1 1    4    3   29 o  759.271   32.167   14.567   1.0968   14.248   1.2657   15.527   2.1976  743.679   33.103  774.863   55.165 -31.18427 64.33463 
1 1 1    4    3   31 o  1149.79   34.572   34.001   1.9303   33.666   2.3636   34.671   3.3452  1142.32   40.244  1157.25   56.224 -14.92786 69.14323 
1 1 1    4    3   33 o  831.283   57.032   17.915   2.4375   17.915   2.4375   0.0000   0.0000  831.283   57.032  ?   ?       ?      ? 
1 1 1    4    3   35 o  1701.03   40.578   75.257   3.5404   69.259   4.9996   81.290   5.0142  1632.27   59.577  1769.79   55.108 -137.5175 81.15583 
1 1 1    4    3   37 o  779.846   35.367   15.758   1.3371   15.669   1.6366   15.938   2.3190  777.911   40.920  781.780   57.695 -3.868469 70.73303 
1 1 1    4    3   39 o  882.076   35.301   20.143   1.5096   19.852   1.8441   20.734   2.6284  874.528   41.015  889.625   57.467 -15.09705 70.60181 
1 1 1    4    3   41 o  261.804   32.574   1.8274   0.4260   1.5809   0.6032   2.0729   0.6018  241.436   50.232  282.172   41.485 -40.73514 65.14791 
1 1 1    4    3   43 o  221.827   36.911   1.2026   0.5103   2.5119   0.7375   0.0000   0.7068  309.474   46.350  134.180   57.458 175.2943 73.82285 
1 1 1    4    3   45 o  118.677   31.831   0.2691   0.2616   0.2691   0.4255   0.2691   0.3316  123.037   47.483  114.317   42.405 8.719833 63.66144 
1 1 1    4    3   47 o  306.202   31.954   2.4831   0.5027   2.5118   0.7004   2.4526   0.7219  308.221   44.196  304.182   46.163 4.039093 63.90873 
1 1 1    4    3   49 o  659.801   30.954   11.629   1.0333   14.166   1.4784   9.2066   1.4448  732.651   39.248  586.951   47.876 145.7006 61.90748 
1 1 1    4    3   51 o  158.125   34.894   0.6439   0.3188   0.8964   0.4834   0.4494   0.4242  179.564   50.337  136.686   48.337 42.87767 69.78790 
1 1 1    4    3   53 o  954.766   62.879   25.610   3.0866   25.610   3.0866   0.0000   0.0000  954.766   62.879  ?   ?       ?      ? 
1 1 1    4    3   55 o  256.151   41.422   1.8829   0.5128   2.0033   0.8789   1.8208   0.6314  258.834   65.879  253.469   50.229 5.364883 82.84306 
1 1 1    4    3   57 o  384.406   49.498   5.0506   0.8407   3.1261   1.4866   5.9556   1.0194  301.980   89.422  466.831   42.472 -164.8507 98.99554 
1 1 1    4    3   59 o  268.478   43.981   2.0314   0.5884   3.2417   0.9967   1.3839   0.7290  325.899   61.746  211.058   62.648 114.8414 87.96255 
1 1 1    4    4    0 o  307.079   51.777   2.7855   0.6919   2.8920   1.1204   2.7199   0.8797  306.694   82.224  307.464   62.950 0.000000 0.000000 
1 1 1    4    4    2 o  1192.55   29.131   36.649   1.7859   36.260   2.5064   37.051   2.5455  1186.13   41.101  1198.97   41.294 -12.84766 58.26221 
1 1 1    4    4    4 o  1024.10   27.823   27.014   1.4646   26.224   2.0503   27.838   2.0928  1008.80   39.531  1039.40   39.164 -30.59265 55.64622 
1 1 1    4    4    6 o  1364.07   26.855   47.932   1.8831   46.740   2.6456   49.156   2.6809  1346.88   38.205  1381.27   37.751 -34.39795 53.71000 
1 1 1    4    4    8 o  1004.75   26.898   26.018   1.3890   26.724   1.9624   25.309   1.9664  1018.45   37.478  991.050   38.592 27.39502 53.79551 
1 1 1    4    4   10 o  3030.56   54.529  237.259   8.4961  237.259   8.4961   0.0000   0.0000  3030.56   54.529  ?   ?       ?      ? 
1 1 1    4    4   12 o  1589.18   33.125   65.197   2.5587   65.252   3.1438   65.091   4.4036  1591.15   38.431  1587.20   53.964 3.956421 66.25003 
1 1 1    4    4   14 o  1817.92   33.501   85.719   2.9513   86.507   3.6231   84.166   5.0880  1831.77   38.471  1804.08   54.856 27.68860 67.00134 
1 1 1    4    4   16 o  1070.88   34.512   30.446   1.7699   32.012   2.1749   27.377   3.0457  1113.95   37.975  1027.80   57.638 86.15234 69.02377 
1 1 1    4    4   18 o  1630.88   33.077   67.491   2.6426   64.516   3.2420   73.382   4.5618  1580.01   39.910  1681.74   52.761 -101.7372 66.15494 
1 1 1    4    4   20 o  1409.74   31.223   50.208   1.9874   48.902   2.2984   54.078   3.9567  1376.59   32.475  1442.89   53.338 -66.29175 62.44634 
1 1 1    4    4   22 o  1006.18   56.092   26.264   2.9016   26.264   2.9016   0.0000   0.0000  1006.18   56.092  ?   ?       ?      ? 
1 1 1    4    4   24 o  959.601   33.724   23.462   1.5798   22.785   1.9366   24.807   2.7314  939.885   40.078  979.316   54.250 -39.43121 67.44844 
1 1 1    4    4   26 o  1423.65   31.809   51.486   2.0384   50.641   2.3582   53.984   4.0540  1402.16   32.713  1445.15   54.563 -42.98303 63.61828 
1 1 1    4    4   28 o  409.097   34.540   4.5111   0.6160   4.6963   0.7123   3.9618   1.2266  426.997   32.446  391.197   60.986 35.79993 69.08031 
1 1 1    4    4   30 o  596.669   32.404   9.0187   0.8674   8.8422   1.0010   9.5508   1.7378  585.800   33.235  607.538   55.636 -21.73737 64.80719 
1 1 1    4    4   32 o  1105.36   34.068   30.805   1.8462   29.123   2.2625   34.156   3.1942  1062.14   41.431  1148.57   54.092 -86.42578 68.13537 
1 1 1    4    4   34 o  1243.02   57.153   40.105   3.6525   40.105   3.6525   0.0000   0.0000  1243.02   57.153  ?   ?       ?      ? 
1 1 1    4    4   36 o  540.375   33.987   7.1254   0.9033   6.1539   1.1000   9.1379   1.5832  487.521   43.886  593.229   51.908 -105.7085 67.97321 
1 1 1    4    4   38 o  603.328   34.095   8.8996   1.0107   7.6801   1.2289   11.448   1.7766  543.907   43.945  662.748   52.141 -118.8402 68.18925 
1 1 1    4    4   40 o  589.178   40.412   10.027   1.0820   11.664   1.3325   6.8584   1.8540  670.267   38.669  508.088   70.973 162.1788 80.82385 
1 1 1    4    4   42 o  834.901   36.288   18.538   1.4631   18.994   1.7997   17.648   2.5129  853.535   41.011  816.267   59.878 37.26807 72.57608 
1 1 1    4    4   44 o  780.936   42.192   16.279   1.6893   14.773   2.3653   17.846   2.4136  742.968   61.923  818.904   57.326 -75.93701 84.38484 
1 1 1    4    4   46 o  176.764   33.999   0.8457   0.3202   1.0413   0.4666   0.6715   0.4403  194.630   47.135  158.897   49.010 35.73328 67.99783 
1 1 1    4    4   48 o  210.301   35.233   1.2245   0.3770   1.0229   0.5251   1.4388   0.5415  192.075   51.931  228.526   47.629 -36.45094 70.46515 
1 1 1    4    4   50 o  666.386   30.679   11.814   1.0511   11.801   1.4865   11.827   1.4863  666.012   43.414  666.761   43.359 -0.7489014 61.35764 
1 1 1    4    4   52 o  746.207   61.548   15.485   2.3613   0.0000   0.0000   15.485   2.3613  ?   ?   746.207   61.548      ?      ? 
1 1 1    4    4   54 o  145.270   35.314   0.5643   0.3291   0.0000   0.6697   0.7440   0.3779  127.318   55.232  163.222   44.020 -35.90419 70.62795 
1 1 1    4    4   56 o  303.041   44.014   2.7904   0.6339   2.3867   1.0954   2.9937   0.7772  275.648   75.205  330.435   45.750 -54.78638 88.02722 
1 1 1    4    4   58 o  296.053   35.305   2.4875   0.5252   2.7330   0.7703   2.2743   0.7179  312.270   47.977  279.836   51.809 32.43484 70.61093 
1 1 1    4    5    1 o  579.625   27.410   8.7172   0.8046   9.0431   1.0620   8.2781   1.2326  592.560   34.860  566.690   42.308 25.87042 54.81944 
1 1 1    4    5    3 o  1068.53   28.684   29.448   1.5746   30.406   2.2104   28.460   2.2435  1086.26   39.580  1050.80   41.527 35.46484 57.36790 
1 1 1    4    5    5 o  1640.34   27.503   69.408   2.3169   71.808   3.2416   66.902   3.3128  1669.47   37.767  1611.21   39.992 58.25635 55.00671 
1 1 1    4    5    7 o  1297.32   26.821   43.370   1.7881   41.744   2.5209   45.016   2.5368  1272.80   38.523  1321.84   37.328 -49.03625 53.64116 
1 1 1    4    5    9 o  1812.17   38.546   84.832   3.5913   84.884   5.0716   84.779   5.0861  1812.75   54.418  1811.59   54.607 1.159302 77.09258 
1 1 1    4    5   11 f  1459.04   33.125   54.971   2.3452   54.808   4.0486   55.053   2.8771  1456.50   54.067  1461.58   38.288 -5.083374 66.25071 
1 1 1    4    5   13 o  832.297   27.321   17.877   1.1672   19.052   1.6504   16.702   1.6508  859.768   37.338  804.827   39.896 54.94049 54.64241 
1 1 1    4    5   15 o  580.875   33.419   8.7051   0.9429   8.6803   1.1567   8.7542   1.6277  580.118   38.784  581.632   54.434 -1.514160 66.83721 
1 1 1    4    5   17 o  556.055   33.431   7.9065   0.9067   7.7070   1.1115   8.3033   1.5678  546.255   39.577  565.855   53.890 -19.59943 66.86143 
1 1 1    4    5   19 o  675.460   34.672   12.120   1.1230   12.691   1.3801   11.002   1.9322  700.721   38.309  650.200   57.801 50.52161 69.34329 
1 1 1    4    5   21 o  403.238   39.819   4.2320   0.8206   4.8176   1.1710   3.6670   1.1502  430.953   52.851  375.525   59.574 55.42804 79.63850 
1 1 1    4    5   23 o  476.651   39.797   5.8949   0.9729   5.4516   1.3807   6.3321   1.3712  458.676   58.548  494.627   53.921 -35.95062 79.59492 
1 1 1    4    5   25 o  640.605   34.489   10.657   1.0712   10.779   1.3166   10.417   1.8427  646.581   39.605  634.628   56.475 11.95367 68.97836 
1 1 1    4    5   27 o  911.534   32.102   21.200   1.3127   20.953   1.5176   21.936   2.6159  901.920   32.728  921.148   55.236 -19.22784 64.20432 
1 1 1    4    5   29 o  2086.74   33.004  114.678   3.0542  116.981   3.5392  107.959   6.0447  2130.99   32.304  2042.49   57.563 88.49707 66.00797 
1 1 1    4    5   31 o  1339.87   31.750   44.894   1.9262   43.350   2.2267   49.484   3.8398  1296.94   33.394  1382.80   54.010 -85.85999 63.49984 
1 1 1    4    5   33 o  412.753   57.060   4.4178   1.2109   4.4178   1.2109   0.0000   0.0000  412.753   57.060  ?   ?       ?      ? 
1 1 1    4    5   35 o  1192.36   40.503   36.954   2.4804   38.980   3.5170   34.949   3.4989  1225.20   55.833  1159.51   58.692 65.69043 81.00692 
1 1 1    4    5   37 o  135.473   32.470   0.4362   0.2907   0.6556   0.3564   0.0000   0.5026  156.603   42.967  114.344   48.694 42.25906 64.94054 
1 1 1    4    5   39 o  1078.82   34.974   29.820   1.8409   28.712   2.2521   32.051   3.1955  1051.41   41.663  1106.23   56.186 -54.82532 69.94781 
1 1 1    4    5   41 o  923.136   35.536   22.098   1.5962   21.627   1.9544   23.044   2.7661  911.198   41.719  935.075   57.539 -23.87671 71.07143 
1 1 1    4    5   43 o  194.929   61.309   1.0069   0.6852   1.0069   0.6852   0.0000   0.0000  194.929   61.309  ?   ?       ?      ? 
1 1 1    4    5   45 o  347.036   46.223   3.3170   0.7988   4.3414   1.1624   2.4003   1.0995  403.333   56.055  290.739   73.512 112.5936 92.44593 
1 1 1    4    5   47 o  504.213   30.324   6.7228   0.7821   7.5842   1.1171   5.8950   1.0952  536.659   40.488  471.767   45.154 64.89261 60.64829 
1 1 1    4    5   49 o  974.649   36.405   24.348   1.7285   29.396   3.0718   22.010   2.0909  1039.76   57.464  909.544   44.713 130.2109 72.81014 
1 1 1    4    5   51 o  309.726   43.114   2.7752   0.6177   2.4739   1.1105   2.9102   0.7433  289.283   74.282  330.170   43.790 -40.88715 86.22858 
1 1 1    4    5   53 o  807.239   63.450   18.362   2.6333   18.362   2.6333   0.0000   0.0000  807.239   63.450  ?   ?       ?      ? 
1 1 1    4    5   55 o  293.883   36.642   2.4623   0.5266   1.6591   0.7339   3.3148   0.7561  237.530   60.062  350.236   41.990 -112.7059 73.28449 
1 1 1    4    5   57 o  487.437   33.112   6.6202   0.8200   5.5286   1.1588   7.7149   1.1605  443.845   50.782  531.029   42.506 -87.18423 66.22362 
1 1 1    4    5   59 o  308.844   36.341   2.7709   0.5608   3.0862   0.7945   2.4579   0.7916  330.861   46.704  286.826   55.691 44.03485 72.68253 
1 1 1    4    6    0 o  1799.43   39.519   84.503   3.4933   86.674   4.3854   80.735   5.7785  1832.90   46.606  1765.96   63.834 0.000000 0.000000 
1 1 1    4    6    2 o  968.366   29.189   24.173   1.4530   23.710   2.0567   24.635   2.0529  959.073   41.712  977.659   40.843 -18.58661 58.37835 
1 1 1    4    6    4 o  618.391   28.426   9.8644   0.9029   10.149   1.2622   9.5659   1.2921  627.584   39.119  609.198   41.254 18.38513 56.85236 
1 1 1    4    6    6 o  1086.49   27.318   30.407   1.5257   29.690   2.1353   31.156   2.1807  1073.40   38.693  1099.59   38.575 -26.18542 54.63690 
1 1 1    4    6    8 o  2315.33   38.292  138.466   4.5581  138.025   6.4213  138.914   6.4713  2311.64   54.030  2319.02   54.277 -7.382324 76.58492 
1 1 1    4    6   10 o  1316.36   32.563   44.476   2.0915   43.986   2.5728   45.431   3.5914  1306.46   38.304  1326.27   52.670 -19.81091 65.12556 
1 1 1    4    6   12 o  1784.31   27.124   82.069   2.4879   83.669   3.5237   80.477   3.5133  1801.70   38.040  1766.93   38.675 34.77905 54.24744 
1 1 1    4    6   14 o  877.812   27.292   19.875   1.2314   19.380   1.7422   20.368   1.7407  866.857   39.092  888.768   38.095 -21.91168 54.58414 
1 1 1    4    6   16 o  2129.32   27.436  117.030   3.0035  116.063   4.2409  118.003   4.2542  2120.48   38.901  2138.17   38.699 -17.69678 54.87162 
1 1 1    4    6   18 o  2049.52   27.627  108.572   2.9111  108.211   4.1114  108.935   4.1224  2046.10   39.083  2052.94   39.057 -6.840820 55.25364 
1 1 1    4    6   20 f  2079.96   39.180  112.417   4.1897  112.425   5.9424  112.408   5.9080  2079.98   55.569  2079.95   55.249 0.3491211E-01 78.35999 
1 1 1    4    6   22 o  348.206   56.660   3.1433   1.0143   3.1433   1.0143   0.0000   0.0000  348.206   56.660  ?   ?       ?      ? 
1 1 1    4    6   24 o  2775.15   33.924  198.230   4.5804  196.844   5.6230  200.962   7.8968  2762.83   39.586  2787.47   55.103 -24.63159 67.84792 
1 1 1    4    6   26 o  1301.11   33.831   43.231   2.1483   42.241   2.6361   45.190   3.7070  1279.97   40.059  1322.24   54.531 -42.26257 67.66297 
1 1 1    4    6   28 o  2239.91   39.734  129.368   4.5757  129.368   4.5757   0.0000   0.0000  2239.91   39.734  ?   ?       ?      ? 
1 1 1    4    6   30 o  283.432   39.486   2.6733   0.5610   3.8195   0.6954   0.5365   0.9495  384.946   35.137  181.918   70.725 203.0282 78.97284 
1 1 1    4    6   32 o  1502.40   35.060   59.070   2.5457   60.472   3.1295   56.327   4.3770  1530.71   39.766  1474.08   57.754 56.62769 70.11998 
1 1 1    4    6   34 f  842.817   35.445   18.675   1.4452   19.252   1.7820   17.565   2.4701  863.285   40.150  822.348   58.424 40.93707 70.89021 
1 1 1    4    6   36 o  641.491   31.108   9.8906   0.9136   9.0712   1.0532   12.381   1.8360  592.639   34.566  690.343   51.730 -97.70367 62.21601 
1 1 1    4    6   38 o  389.776   40.233   4.2784   0.7099   4.7357   0.8718   3.3786   1.2228  427.417   39.673  352.136   70.007 75.28119 80.46656 
1 1 1    4    6   40 o  606.653   38.671   10.339   1.0926   11.656   1.3487   7.8244   1.8634  669.859   39.162  543.447   66.694 126.4113 77.34133 
1 1 1    4    6   42 o  804.783   36.365   17.150   1.4123   17.383   1.7307   16.686   2.4434  816.268   41.239  793.298   59.907 22.97040 72.72925 
1 1 1    4    6   44 o  859.855   42.142   19.770   1.8563   21.850   2.6457   17.752   2.6052  905.945   56.802  813.765   62.268 92.17981 84.28419 
1 1 1    4    6   46 o  780.998   44.074   16.532   1.7384   20.605   2.5208   12.838   2.4005  876.735   55.923  685.262   68.136 191.4726 88.14746 
1 1 1    4    6   48 o  250.365   40.772   1.6025   0.6065   3.2015   0.9024   0.2853   0.8190  345.669   50.777  155.062   63.804 190.6077 81.54308 
1 1 1    4    6   50 o  328.745   34.059   2.9131   0.5460   3.8946   0.8120   2.1027   0.7378  383.149   41.220  274.342   54.231 108.8076 68.11790 
1 1 1    4    6   52 o  663.926   63.388   12.334   2.1637   12.334   2.1637   0.0000   0.0000  663.926   63.388  ?   ?       ?      ? 
1 1 1    4    6   54 o  428.170   40.147   5.0623   0.8216   5.2673   1.4621   4.9677   0.9933  428.201   66.413  428.139   45.126 0.6216431E-01 80.29318 
1 1 1    4    6   56 o  408.719   32.808   4.6010   0.6849   5.2371   0.9781   3.9890   0.9594  438.144   43.419  379.294   49.197 58.85077 65.61666 
1 1 1    4    6   58 o  310.485   34.250   2.7139   0.5460   2.6192   0.7813   2.8042   0.7633  304.350   49.934  316.620   46.892 -12.26987 68.50017 
1 1 1    4    7    1 o  1220.76   28.799   38.364   1.7906   38.085   2.3716   38.735   2.7309  1215.80   37.941  1225.71   43.336 -9.912598 57.59797 
1 1 1    4    7    3 o  1339.67   28.781   46.259   1.9823   46.424   2.7938   46.091   2.8129  1342.10   40.490  1337.25   40.914 4.855835 57.56230 
1 1 1    4    7    5 o  1940.96   33.351   97.453   3.1976   96.240   5.3008   98.147   4.0092  1930.47   53.408  1951.46   39.960 -20.99390 66.70296 
1 1 1    4    7    7 o  1062.45   38.066   29.168   2.0779   30.413   2.9394   27.924   2.9378  1085.24   52.683  1039.67   54.961 45.56897 76.13277 
1 1 1    4    7    9 o  1114.55   32.805   31.994   1.7728   31.883   2.1705   32.216   3.0728  1112.32   37.953  1116.78   53.518 -4.458252 65.60994 
1 1 1    4    7   11 o  2207.50   33.081  126.467   3.5369  123.648   6.0981  127.896   4.3418  2187.36   54.225  2227.64   37.910 -40.27710 66.16297 
1 1 1    4    7   13 o  403.655   27.310   4.2023   0.5665   4.3548   0.8022   4.0506   0.8002  410.981   37.965  396.328   39.270 14.65356 54.62059 
1 1 1    4    7   15 o  683.457   27.744   12.122   0.9647   14.234   1.3716   10.055   1.3570  742.899   35.912  624.015   42.298 118.8849 55.48733 
1 1 1    4    7   17 o  660.885   27.548   11.286   0.9360   11.461   1.3255   11.111   1.3217  666.024   38.711  655.747   39.205 10.27777 55.09614 
1 1 1    4    7   19 o  419.149   28.037   4.5545   0.6009   3.9907   0.8458   5.1292   0.8539  392.744   41.888  445.553   37.279 -52.80832 56.07401 
1 1 1    4    7   21 o  1036.03   55.811   27.848   2.9728   27.848   2.9728   0.0000   0.0000  1036.03   55.811  ?   ?       ?      ? 
1 1 1    4    7   23 o  1847.73   34.240   88.817   3.0646   90.066   3.7656   86.366   5.2740  1868.71   39.194  1826.75   56.156 41.96277 68.48095 
1 1 1    4    7   25 o  1280.39   33.664   41.497   2.1086   39.753   2.5837   44.974   3.6491  1241.66   40.473  1319.13   53.806 -77.47229 67.32886 
1 1 1    4    7   27 o  1381.41   35.622   51.194   2.3446   54.952   2.8878   43.924   4.0163  1460.05   38.470  1302.76   59.965 157.2874 71.24407 
1 1 1    4    7   29 o  1917.04   34.234   94.421   3.1952   93.355   3.9212   96.529   5.5121  1902.48   40.089  1931.59   55.505 -29.11304 68.46839 
1 1 1    4    7   31 f  2480.36   34.434  158.335   4.1600  156.838   5.1099  161.277   7.1635  2465.26   40.316  2495.46   55.835 -30.20142 68.86887 
1 1 1    4    7   33 o  722.319   57.386   13.537   2.1311   13.537   2.1311   0.0000   0.0000  722.319   57.386  ?   ?       ?      ? 
1 1 1    4    7   35 o  1048.39   34.615   28.110   1.7747   27.294   2.1801   29.711   3.0558  1027.40   41.273  1069.37   55.581 -41.97205 69.22951 
1 1 1    4    7   37 o  439.819   31.646   4.6069   0.6391   4.1617   0.7366   5.9625   1.2854  401.141   35.718  478.498   52.251 -77.35638 63.29226 
1 1 1    4    7   39 o  667.382   32.221   10.941   0.9760   10.262   1.1240   13.023   1.9684  629.458   34.731  705.306   54.282 -75.84839 64.44204 
1 1 1    4    7   41 o  813.227   41.728   17.493   1.7416   16.401   2.4696   18.573   2.4565  787.195   61.021  839.261   56.932 -52.06610 83.45543 
1 1 1    4    7   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    7   45 o  530.609   43.061   7.5739   1.1724   8.1948   1.6746   6.9770   1.6419  552.686   58.935  508.532   62.800 44.15417 86.12286 
1 1 1    4    7   47 o  1029.19   37.094   28.744   1.8432   29.541   2.2715   27.207   3.1539  1057.97   41.761  1000.41   61.319 57.55585 74.18853 
1 1 1    4    7   49 o  374.096   41.734   3.9873   0.7219   4.2323   0.8890   3.5128   1.2371  399.131   43.325  349.061   71.343 50.06979 83.46774 
1 1 1    4    7   51 o  670.776   30.952   12.029   1.0635   13.324   1.5179   10.780   1.4906  707.416   41.734  634.136   45.720 73.28046 61.90368 
1 1 1    4    7   53 o  119.893   30.349   0.3381   0.2371   0.3540   0.3260   0.3202   0.3455  120.821   42.409  118.965   43.424 1.855423 60.69706 
1 1 1    4    7   55 o  370.977   35.715   3.9375   0.6284   5.2671   0.8895   2.6131   0.8878  442.687   39.081  299.268   59.791 143.4195 71.43089 
1 1 1    4    7   57 o  378.623   34.146   4.0387   0.6523   4.8244   0.9178   3.2365   0.9274  419.569   42.549  337.677   53.417 81.89215 68.29184 
1 1 1    4    7   59 f  139.104   34.457   0.5068   0.3092   0.3584   0.4319   0.6628   0.4428  125.808   48.017  152.400   49.433 -26.59236 68.91440 
1 1 1    4    8    0 o  576.738   42.951   8.9926   1.1622   9.3081   1.4460   8.4168   1.9536  595.493   47.944  557.983   71.277 0.000000 0.000000 
1 1 1    4    8    2 o  668.271   36.589   11.494   1.1880   11.639   2.0534   11.421   1.4566  670.976   59.523  665.567   42.567 5.409180 73.17812 
1 1 1    4    8    4 o  1585.31   33.475   64.781   2.6366   65.070   4.3298   64.612   3.3240  1587.38   53.054  1583.25   40.836 4.134155 66.95009 
1 1 1    4    8    6 o  2770.96   32.890  197.207   4.4601  195.254   5.5060  200.935   7.6062  2752.57   38.907  2789.35   53.039 -36.78027 65.77911 
1 1 1    4    8    8 o  1285.21   27.123   42.556   1.7918   42.043   2.5047   43.093   2.5644  1277.30   38.141  1293.11   38.573 -15.80286 54.24581 
1 1 1    4    8   10 f  1488.60   32.938   57.314   2.3833   56.790   4.0936   57.582   2.9314  1482.48   53.709  1494.71   38.146 -12.22632 65.87643 
1 1 1    4    8   12 o  849.489   27.043   18.612   1.1804   17.889   1.6695   19.335   1.6692  832.932   38.986  866.047   37.489 -33.11536 54.08595 
1 1 1    4    8   14 o  439.760   27.359   4.9945   0.6174   4.6359   0.8717   5.3556   0.8746  423.847   40.003  455.674   37.333 -31.82721 54.71722 
1 1 1    4    8   16 o  1046.17   27.351   28.270   1.4711   28.355   2.0841   28.185   2.0769  1047.74   38.689  1044.59   38.671 3.153931 54.70219 
1 1 1    4    8   18 o  382.498   28.055   3.8014   0.5469   4.3975   0.7763   3.2141   0.7706  412.578   36.600  352.418   42.530 60.16003 56.11023 
1 1 1    4    8   20 o  1314.35   39.537   44.912   2.6660   48.264   3.7705   41.562   3.7700  1363.94   53.770  1264.76   57.978 99.17883 79.07375 
1 1 1    4    8   22 o  1279.78   34.201   42.404   2.1187   42.118   3.6713   42.547   2.5943  1275.35   55.991  1284.20   39.293 -8.856445 68.40270 
1 1 1    4    8   24 o  2405.44   27.942  149.198   3.4551  146.085   4.8808  152.324   4.8918  2380.23   39.884  2430.66   39.145 -50.43433 55.88472 
1 1 1    4    8   26 o  1012.26   34.525   26.705   1.6912   27.213   2.0787   25.710   2.9086  1027.42   39.352  997.098   56.739 30.32587 69.04970 
1 1 1    4    8   28 o  593.272   33.521   8.7378   0.9799   7.9496   1.2013   10.305   1.6939  555.118   42.093  631.427   52.180 -76.30884 67.04192 
1 1 1    4    8   30 o  882.670   34.942   20.331   1.4910   20.721   1.8311   19.562   2.5686  896.221   39.740  869.119   57.485 27.10193 69.88375 
1 1 1    4    8   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    8   34 o  757.201   34.475   14.499   1.2803   13.739   1.5703   16.005   2.2111  729.058   41.893  785.343   54.763 -56.28491 68.94927 
1 1 1    4    8   36 o  651.597   35.257   11.025   1.1168   11.017   1.3723   11.042   1.9217  652.329   40.919  650.866   57.427 1.462402 70.51424 
1 1 1    4    8   38 o  334.997   36.250   2.7110   0.5808   1.8537   0.7174   4.3427   0.9897  261.546   55.089  408.448   47.131 -146.9019 72.49976 
1 1 1    4    8   40 o  922.783   35.548   22.197   1.5980   22.002   1.9650   22.580   2.7463  919.417   41.569  926.148   57.676 -6.731079 71.09541 
1 1 1    4    8   42 o  330.967   36.259   2.7724   0.5915   2.5183   0.7255   3.2758   1.0213  310.063   45.513  351.871   56.457 -41.80771 72.51758 
1 1 1    4    8   44 o  125.539   33.571   0.2449   0.3103   0.0000   0.4238   0.5278   0.4556  104.351   44.584  146.726   50.202 -42.37492 67.14204 
1 1 1    4    8   46 o  1318.45   36.289   46.086   2.3228   45.537   2.8464   47.181   4.0186  1314.51   42.118  1322.39   59.108 -7.882080 72.57858 
1 1 1    4    8   48 o  302.443   40.662   2.5993   0.5759   2.7455   0.7043   2.3045   1.0002  321.933   42.553  282.952   69.303 38.98135 81.32462 
1 1 1    4    8   50 o  554.081   38.509   8.5225   1.0152   8.8763   1.2415   7.8087   1.7636  577.981   41.780  530.181   64.700 47.79974 77.01759 
1 1 1    4    8   52 o  289.376   70.684   2.4785   1.0426   2.4785   1.0426   0.0000   0.0000  289.376   70.684  ?   ?       ?      ? 
1 1 1    4    8   54 f  331.286   45.891   3.3989   0.7020   2.6359   1.2376   3.7609   0.8524  290.069   80.269  372.503   44.509 -82.43332 91.78278 
1 1 1    4    8   56 o  482.975   32.545   6.4333   0.8057   6.9381   1.1354   5.9213   1.1435  503.571   43.854  462.379   48.101 41.19141 65.09099 
1 1 1    4    8   58 o  269.174   35.441   2.0908   0.4769   2.4597   0.6793   1.7325   0.6695  297.428   44.425  240.920   55.233 56.50842 70.88216 
1 1 1    4    9    1 f  2469.01   38.655  157.332   4.7407  156.939   5.9753  157.999   7.7881  2466.40   47.123  2471.62   61.289 -5.230469 77.31004 
1 1 1    4    9    3 o  2195.10   39.659  124.574   4.4584  123.673   6.5882  125.336   6.0557  2187.26   58.587  2202.94   53.468 -15.68408 79.31729 
1 1 1    4    9    5 o  636.785   32.976   10.424   1.0388   10.325   1.2995   10.599   1.7288  632.924   39.935  640.647   52.487 -7.722961 65.95226 
1 1 1    4    9    7 o  1430.98   27.613   52.751   2.0308   51.909   2.8266   53.650   2.9196  1419.20   38.739  1442.75   39.361 -23.54541 55.22693 
1 1 1    4    9    9 o  1402.77   38.812   50.997   2.7913   53.634   3.8760   48.157   4.0230  1440.88   52.322  1364.66   57.340 76.22070 77.62392 
1 1 1    4    9   11 f  1324.97   27.009   45.263   1.8393   43.808   2.5937   46.735   2.6086  1303.49   38.703  1346.44   37.684 -42.94958 54.01811 
1 1 1    4    9   13 f  782.448   27.128   15.796   1.0908   16.387   1.5446   15.209   1.5406  797.090   37.691  767.807   39.028 29.28345 54.25664 
1 1 1    4    9   15 o  604.515   27.307   9.4380   0.8485   9.6471   1.1998   9.2288   1.2002  611.244   38.180  597.785   39.051 13.45898 54.61350 
1 1 1    4    9   17 o  889.650   27.434   20.462   1.2546   20.045   1.7755   20.877   1.7730  880.547   39.220  898.753   38.371 -18.20618 54.86782 
1 1 1    4    9   19 o  371.483   33.994   3.5713   0.6131   3.5878   1.0587   3.5630   0.7521  371.651   55.408  371.314   39.398 0.3370056 67.98714 
1 1 1    4    9   21 o  680.133   55.687   11.985   1.9472   11.985   1.9472   0.0000   0.0000  680.133   55.687  ?   ?       ?      ? 
1 1 1    4    9   23 f  742.146   27.966   14.211   1.0662   14.842   1.5061   13.578   1.5096  758.705   38.612  725.588   40.467 33.11725 55.93264 
1 1 1    4    9   25 o  764.582   28.044   15.071   1.1024   14.930   1.5546   15.213   1.5635  760.980   39.735  768.185   39.587 -7.205261 56.08881 
1 1 1    4    9   27 o  404.858   28.565   4.2268   0.5946   4.2233   0.8400   4.2303   0.8417  404.692   40.374  405.023   40.419 -0.3315735 57.12912 
1 1 1    4    9   29 o  1096.84   33.734   30.204   1.8120   28.370   2.2151   33.914   3.1503  1048.62   41.088  1145.06   53.513 -96.43689 67.46708 
1 1 1    4    9   31 o  922.074   40.345   22.060   1.9071   24.145   2.7109   20.017   2.6833  965.573   54.607  878.575   59.405 86.99854 80.69059 
1 1 1    4    9   33 o  366.112   43.867   3.5345   0.8027   4.0903   1.1627   3.0282   1.1096  396.960   56.969  335.263   66.721 61.69662 87.73306 
1 1 1    4    9   35 o  930.805   35.154   22.511   1.5899   22.576   1.9545   22.384   2.7337  934.218   40.693  927.393   57.335 6.825256 70.30795 
1 1 1    4    9   37 o  1034.38   35.153   27.570   1.7724   26.978   2.1734   28.746   3.0622  1019.94   41.447  1048.81   56.789 -28.86847 70.30568 
1 1 1    4    9   39 o  595.859   34.268   8.7033   1.0064   7.4173   1.2282   11.331   1.7558  533.633   44.768  658.086   51.894 -124.4525 68.53552 
1 1 1    4    9   41 o  784.512   32.193   15.090   1.1519   14.022   1.3283   18.328   2.3134  734.763   35.161  834.262   53.937 -99.49866 64.38544 
1 1 1    4    9   43 o  983.985   41.639   25.346   2.1065   25.346   2.1065   0.0000   0.0000  983.985   41.639  ?   ?       ?      ? 
1 1 1    4    9   45 o  373.218   44.378   3.8108   0.8328   3.5636   1.1651   4.0690   1.1908  357.523   65.811  388.912   59.554 -31.38837 88.75630 
1 1 1    4    9   47 o  1399.49   35.826   50.922   2.4519   47.820   2.9957   57.218   4.2675  1344.07   43.352  1454.92   57.051 -110.8506 71.65294 
1 1 1    4    9   49 o  914.600   38.305   23.194   1.6800   24.356   2.0732   20.972   2.8671  957.991   42.093  871.210   64.011 86.78119 76.61082 
1 1 1    4    9   51 o  456.656   45.427   6.4851   0.8975   7.6094   1.1051   4.3072   1.5381  535.025   40.174  378.287   81.490 156.7385 90.85465 
1 1 1    4    9   53 o  895.492   37.148   21.179   1.6254   19.363   1.9770   24.966   2.8553  846.013   45.453  944.972   58.771 -98.95917 74.29675 
1 1 1    4    9   55 o  145.087   33.920   0.5642   0.2941   0.5883   0.4253   0.5421   0.4071  147.581   48.479  142.593   47.456 4.988007 67.83990 
1 1 1    4    9   57 o  209.926   36.549   1.2901   0.3955   1.5498   0.5659   1.0423   0.5529  231.640   49.048  188.213   54.201 43.42662 73.09872 
1 1 1    4   10    0 f  970.539   42.537   25.249   1.9663   22.515   3.3338   26.707   2.4350  925.941   70.990  1015.14   46.883 -0.000000 0.000000 
1 1 1    4   10    2 o  1913.03   37.245   94.777   3.5567   95.644   4.5297   93.382   5.7434  1925.55   45.756  1900.51   58.780 25.04639 74.48951 
1 1 1    4   10    4 o  1512.12   29.536   58.958   2.2954   58.637   3.2864   59.265   3.2073  1508.03   42.388  1516.21   41.144 -8.181641 59.07275 
1 1 1    4   10    6 o  2039.73   28.208  107.170   2.9571  103.595   4.1221  110.959   4.2444  2004.70   39.995  2074.76   39.790 -70.06165 56.41666 
1 1 1    4   10    8 o  1848.27   34.915   88.266   3.0459   88.357   3.6471   88.055   5.5380  1851.49   38.314  1845.06   58.382 6.424561 69.83093 
1 1 1    4   10   10 o  391.210   27.226   3.9469   0.5473   3.9817   0.7642   3.9102   0.7843  393.003   37.821  389.417   39.173 3.586121 54.45140 
1 1 1    4   10   12 o  469.684   27.172   5.6930   0.6550   5.2665   0.9206   6.1303   0.9321  451.810   39.631  487.559   37.185 -35.74808 54.34468 
1 1 1    4   10   14 o  463.051   27.264   5.5371   0.6488   5.7396   0.9187   5.3357   0.9162  471.530   37.898  454.572   39.204 16.95761 54.52736 
1 1 1    4   10   16 o  194.090   29.777   1.0130   0.2887   0.9317   0.4086   1.0941   0.4081  186.049   43.495  202.132   40.680 -16.08293 59.55362 
1 1 1    4   10   18 o  1106.95   33.525   31.473   1.8032   32.595   3.1319   30.916   2.2054  1120.20   54.380  1093.69   39.222 26.51563 67.04904 
1 1 1    4   10   20 o  1335.73   39.026   46.058   2.6800   46.058   2.6800   0.0000   0.0000  1335.73   39.026  ?   ?       ?      ? 
1 1 1    4   10   22 o  695.724   27.853   12.483   0.9962   12.350   1.4068   12.617   1.4110  691.991   39.542  699.457   39.237 -7.466003 55.70569 
1 1 1    4   10   24 o  2723.19   27.846  191.203   3.8978  195.646   5.5158  186.771   5.5089  2754.88   38.944  2691.50   39.811 63.37964 55.69147 
1 1 1    4   10   26 o  698.039   28.169   12.570   1.0096   13.397   1.4338   11.756   1.4218  720.901   38.685  675.177   40.958 45.72443 56.33889 
1 1 1    4   10   28 o  1847.50   28.139   88.033   2.6727   87.150   3.7748   88.921   3.7846  1838.19   39.943  1856.81   39.645 -18.62512 56.27735 
1 1 1    4   10   30 o  1453.24   35.103   55.404   2.4616   52.248   4.2325   57.017   3.0261  1419.96   57.976  1486.52   39.595 -66.56372 70.20671 
1 1 1    4   10   32 o  1530.97   57.167   60.804   4.4997   60.804   4.4997   0.0000   0.0000  1530.97   57.167  ?   ?       ?      ? 
1 1 1    4   10   34 o  564.716   36.498   8.5219   0.9871   9.0268   1.2163   7.5472   1.6898  590.978   40.030  538.453   61.040 52.52460 72.99509 
1 1 1    4   10   36 o  353.789   36.036   3.1743   0.6273   2.9884   0.7715   3.5367   1.0773  339.419   44.213  368.159   56.917 -28.74042 72.07156 
1 1 1    4   10   38 f  874.047   34.992   19.690   1.4917   19.185   1.8289   20.694   2.5783  859.428   41.390  888.665   56.433 -29.23645 69.98447 
1 1 1    4   10   40 o  479.127   36.253   5.9946   0.8452   5.9400   1.0380   6.1019   1.4560  477.425   42.287  480.828   58.898 -3.402954 72.50616 
1 1 1    4   10   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   10   44 o  584.259   37.021   9.2313   1.0416   9.5793   1.2837   8.5604   1.7824  604.221   41.322  564.297   61.437 39.92413 74.04102 
1 1 1    4   10   46 o  498.053   35.149   6.0577   0.8614   4.6318   1.0530   8.9411   1.4974  417.097   49.106  579.010   50.303 -161.9132 70.29784 
1 1 1    4   10   48 o  295.772   40.316   2.4425   0.5649   2.4986   0.6929   2.3315   0.9752  306.660   43.950  284.884   67.601 21.77600 80.63140 
1 1 1    4   10   50 o  583.799   40.682   9.9463   1.1028   11.191   1.3633   7.5897   1.8756  649.137   40.849  518.462   70.366 130.6750 81.36344 
1 1 1    4   10   52 o  308.893   68.453   2.8062   1.0585   2.8062   1.0585   0.0000   0.0000  308.893   68.453  ?   ?       ?      ? 
1 1 1    4   10   54 o  529.035   48.633   8.2564   1.2928   6.5846   1.8507   9.8496   1.8068  468.196   76.885  589.875   59.576 -121.6783 97.26579 
1 1 1    4   10   56 o  264.167   42.923   2.2805   0.5724   2.7272   0.6981   1.3636   1.0001  315.725   43.005  212.609   74.297 103.1158 85.84515 
1 1 1    4   10   58 o  420.201   34.182   5.0098   0.7285   5.9672   1.0422   4.0951   1.0187  463.060   43.776  377.343   52.510 85.71677 68.36392 
1 1 1    4   11    1 o  1395.73   27.259   50.224   1.9550   49.449   2.7970   50.965   2.7337  1385.12   39.276  1406.33   37.809 -21.20850 54.51724 
1 1 1    4   11    3 o  2396.48   31.148  148.025   3.8355  151.005   5.5386  145.278   5.3166  2419.55   44.524  2373.40   43.570 46.15234 62.29562 
1 1 1    4   11    5 o  2352.20   29.174  142.643   3.5279  144.256   5.0207  141.069   4.9583  2365.33   41.286  2339.07   41.231 26.26465 58.34840 
1 1 1    4   11    7 o  2201.17   37.155  127.417   3.7745  130.398   4.4760  120.080   7.0222  2249.10   38.709  2153.24   63.432 95.86768 74.31048 
1 1 1    4   11    9 o  1052.98   33.648   28.556   1.7296   28.881   2.9596   28.387   2.1314  1056.77   54.474  1049.19   39.514 7.577759 67.29596 
1 1 1    4   11   11 o  1886.88   27.157   91.831   2.6339   91.567   3.6830   92.107   3.7682  1884.17   38.020  1889.59   38.788 -5.421631 54.31461 
1 1 1    4   11   13 o  842.968   27.167   18.346   1.1769   17.695   1.6581   19.006   1.6708  827.863   38.958  858.074   37.874 -30.21124 54.33369 
1 1 1    4   11   15 o  510.849   27.559   6.7678   0.7199   7.5885   1.0192   5.9509   1.0169  542.020   36.575  479.677   41.233 62.34341 55.11722 
1 1 1    4   11   17 o  1369.42   27.417   48.484   1.9290   50.655   2.7328   46.329   2.7232  1400.13   37.964  1338.71   39.566 61.42786 54.83383 
1 1 1    4   11   19 o  1604.32   33.515   65.604   2.6139   63.632   3.1894   69.638   4.5619  1569.74   39.520  1638.89   54.141 -69.14600 67.03053 
1 1 1    4   11   21 o  685.843   33.937   12.148   1.1279   12.165   1.9543   12.139   1.3812  685.646   55.439  686.039   39.158 -0.3923340 67.87359 
1 1 1    4   11   23 o  2299.60   27.710  136.336   3.2759  134.653   4.6290  138.025   4.6367  2285.35   39.397  2313.86   38.977 -28.50879 55.41940 
1 1 1    4   11   25 o  1468.16   27.896   55.573   2.1053   54.355   2.9721   56.799   2.9826  1451.98   39.814  1484.34   39.084 -32.35999 55.79153 
1 1 1    4   11   27 o  1023.54   28.174   27.018   1.4826   27.137   2.0928   26.898   2.1006  1025.82   39.681  1021.27   40.007 4.559021 56.34870 
1 1 1    4   11   29 o  185.259   32.158   0.9215   0.3039   0.9166   0.4233   0.9267   0.4366  184.747   44.988  185.772   45.965 -1.024368 64.31659 
1 1 1    4   11   31 o  733.938   56.747   13.964   2.1413   13.964   2.1413   0.0000   0.0000  733.938   56.747  ?   ?       ?      ? 
1 1 1    4   11   33 o  1931.76   34.717   96.074   3.2616   98.453   5.6409   94.880   3.9977  1947.30   56.343  1916.21   40.578 31.09045 69.43465 
1 1 1    4   11   35 o  254.296   36.744   1.5143   0.4605   0.9809   0.5617   2.6077   0.8042  191.714   54.441  316.878   49.362 -125.1631 73.48769 
1 1 1    4   11   37 o  978.208   35.068   24.577   1.6744   23.823   2.0521   26.080   2.8960  958.024   41.664  998.391   56.420 -40.36652 70.13618 
1 1 1    4   11   39 o  216.590   39.501   1.2868   0.4317   1.3337   0.5376   1.2016   0.7242  221.758   48.503  211.422   62.360 10.33611 79.00178 
1 1 1    4   11   41 o  886.693   41.311   20.840   1.8811   22.039   2.6667   19.652   2.6538  912.815   56.823  860.571   59.980 52.24347 82.62226 
1 1 1    4   11   43 o  845.038   36.258   18.869   1.4878   18.811   1.8270   18.984   2.5635  847.101   41.951  842.974   59.149 4.126953 72.51578 
1 1 1    4   11   45 o  462.685   38.734   5.9023   0.8521   6.2395   1.0453   5.2345   1.4711  486.835   41.764  438.536   65.247 48.29886 77.46899 
1 1 1    4   11   47 o  557.252   33.687   7.7249   0.8463   7.1717   0.9702   9.4856   1.7309  522.612   36.108  591.891   56.882 -69.27930 67.37465 
1 1 1    4   11   49 o  954.632   36.507   24.150   1.6983   23.204   2.0772   26.057   2.9497  933.756   43.268  975.508   58.813 -41.75171 73.01431 
1 1 1    4   11   51 o  229.828   69.410   1.5341   0.8892   1.5341   0.8892   0.0000   0.0000  229.828   69.410  ?   ?       ?      ? 
1 1 1    4   11   53 o  471.682   49.254   6.5225   1.1182   4.5272   1.5398   8.7486   1.6264  383.145   80.717  560.221   56.468 -177.0760 98.50838 
1 1 1    4   11   55 o  376.447   47.922   4.6745   0.8093   5.5113   0.9939   3.0283   1.3941  449.866   42.974  303.027   85.669 146.8393 95.84325 
1 1 1    4   11   57 o  188.547   40.261   1.0421   0.4021   1.0399   0.4793   1.0472   0.7388  188.905   48.952  188.189   63.934 0.7157593 80.52232 
1 1 1    4   12    0 o  1384.95   40.962   49.506   2.7660   49.046   3.4183   50.379   4.7076  1377.31   48.410  1392.58   66.092 0.000000 0.000000 
1 1 1    4   12    2 o  1676.54   29.802   72.542   2.5323   72.832   3.3176   72.137   3.9198  1681.01   38.387  1672.06   45.598 8.943970 59.60455 
1 1 1    4   12    4 o  420.911   31.018   4.6008   0.6666   4.0878   0.9594   5.0797   0.9269  397.967   46.890  443.855   40.617 -45.88852 62.03585 
1 1 1    4   12    6 o  1534.24   39.049   62.261   2.7663   64.170   3.2883   57.638   5.1166  1577.46   40.546  1491.01   66.747 86.45593 78.09714 
1 1 1    4   12    8 o  1193.83   35.024   37.081   2.0202   36.066   3.4944   37.591   2.4759  1180.40   57.579  1207.25   39.890 -26.85168 70.04713 
1 1 1    4   12   10 o  1326.75   27.405   45.373   1.8685   43.971   2.5973   46.877   2.6901  1305.53   38.696  1347.97   38.817 -42.43896 54.80988 
1 1 1    4   12   12 o  322.184   27.569   2.6817   0.4564   2.7382   0.6391   2.6229   0.6520  325.681   38.168  318.687   39.791 6.993103 55.13744 
1 1 1    4   12   14 o  1123.89   27.237   32.651   1.5734   33.412   2.2201   31.883   2.2302  1137.14   37.974  1110.65   39.056 26.48364 54.47368 
1 1 1    4   12   16 f  223.953   29.809   1.3395   0.3306   1.3042   0.4662   1.3753   0.4689  220.839   42.606  227.066   41.701 -6.227295 59.61771 
1 1 1    4   12   18 o  222.547   40.783   1.3316   0.4714   1.2047   0.6593   1.4642   0.6741  212.157   58.539  232.937   56.798 -20.78004 81.56512 
1 1 1    4   12   20 o  1054.92   38.927   28.815   2.1082   30.817   2.9990   26.859   2.9642  1091.38   53.448  1018.47   56.610 72.90936 77.85468 
1 1 1    4   12   22 o  333.775   28.417   2.8907   0.4837   2.4864   0.6877   3.2867   0.6805  310.453   43.083  357.097   37.068 -46.64371 56.83489 
1 1 1    4   12   24 o  2461.05   27.805  156.169   3.5172  160.461   4.9760  151.883   4.9722  2494.94   38.793  2427.16   39.845 67.78296 55.61061 
1 1 1    4   12   26 o  1140.25   28.004   33.546   1.6399   31.649   2.3150   35.457   2.3232  1107.78   40.647  1172.72   38.533 -64.94995 56.00855 
1 1 1    4   12   28 o  1320.41   28.170   44.979   1.9121   44.067   2.7020   45.893   2.7061  1306.96   40.212  1333.86   39.461 -26.90271 56.33971 
1 1 1    4   12   30 o  911.089   40.505   21.567   1.8919   23.214   2.6595   19.880   2.6919  946.726   54.640  875.452   59.808 71.27423 81.00941 
1 1 1    4   12   32 o  1640.13   34.190   67.842   2.7409   75.385   4.7749   64.135   3.3473  1704.80   54.478  1575.45   41.326 129.3518 68.37941 
1 1 1    4   12   34 o  640.733   29.033   10.633   0.9546   11.405   1.3522   9.8655   1.3478  664.096   39.603  617.370   42.464 46.72607 58.06551 
1 1 1    4   12   36 o  636.337   29.240   10.501   0.9566   10.641   1.3536   10.361   1.3519  640.607   41.100  632.068   41.601 8.538452 58.47994 
1 1 1    4   12   38 o  896.969   35.824   21.187   1.5566   21.512   1.9149   20.553   2.6728  909.784   40.939  884.154   58.799 25.63007 71.64770 
1 1 1    4   12   40 o  1226.80   35.159   38.792   2.1032   37.365   2.5721   41.670   3.6535  1196.98   41.795  1256.62   56.550 -59.63708 70.31876 
1 1 1    4   12   42 o  291.994   64.928   2.3699   0.9495   2.3699   0.9495   0.0000   0.0000  291.994   64.928  ?   ?       ?      ? 
1 1 1    4   12   44 o  347.994   44.141   3.7980   0.6870   4.6298   0.8446   2.1719   1.1810  420.267   39.091  275.721   79.155 144.5459 88.28144 
1 1 1    4   12   46 o  779.812   39.388   17.288   1.4349   19.022   1.7629   13.885   2.4698  849.515   40.363  710.110   67.649 139.4047 78.77560 
1 1 1    4   12   48 o  508.235   38.332   7.3925   0.8333   7.7922   0.9631   6.2026   1.6616  544.798   34.386  471.672   68.520 73.12665 76.66401 
1 1 1    4   12   50 o  306.183   40.215   2.4526   0.5787   2.1866   0.6915   3.0747   1.0574  285.174   47.164  327.192   65.151 -42.01840 80.43092 
1 1 1    4   12   52 o  207.427   42.565   1.2779   0.4735   1.4196   0.5691   0.9591   0.8537  224.035   50.604  190.820   68.456 33.21515 85.12926 
1 1 1    4   12   54 o  335.345   38.637   2.5652   0.6134   0.8265   0.7327   6.6410   1.1218  176.604   63.412  494.086   44.160 -317.4827 77.27320 
1 1 1    4   12   56 o  176.045   38.964   0.9324   0.4222   1.2294   0.5180   0.3445   0.7287  205.946   49.525  146.143   60.166 59.80235 77.92751 
1 1 1    4   12   58 o  188.902   41.891   1.1100   0.4714   1.3702   0.6070   0.7143   0.7484  212.809   55.060  164.995   63.149 47.81407 83.78173 
1 1 1    4   13    1 o  1399.35   27.508   50.489   1.9786   50.135   2.8235   50.831   2.7734  1394.48   39.383  1404.22   38.416 -9.735840 55.01666 
1 1 1    4   13    3 o  1588.29   42.031   66.265   3.1532   67.843   3.8009   62.783   5.6469  1621.29   45.600  1555.30   70.620 65.99219 84.06236 
1 1 1    4   13    5 o  1749.14   45.860   79.560   4.1099   83.195   5.6697   75.536   5.9662  1792.10   61.536  1706.18   68.014 85.91882 91.72025 
1 1 1    4   13    7 o  1332.34   35.855   45.933   2.3035   45.763   4.0246   46.016   2.8091  1329.20   58.893  1335.48   40.913 -6.283325 71.70911 
1 1 1    4   13    9 o  525.035   28.053   7.1071   0.7569   6.8370   1.0522   7.3967   1.0895  514.703   39.763  535.367   39.584 -20.66449 56.10670 
1 1 1    4   13   11 o  759.015   27.538   14.884   1.0737   15.035   1.4923   14.722   1.5460  763.087   38.037  754.943   39.832 8.144165 55.07637 
1 1 1    4   13   13 o  986.360   27.465   25.195   1.3900   26.644   1.9474   23.689   1.9845  1015.54   37.298  957.175   40.326 58.37067 54.93067 
1 1 1    4   13   15 o  1026.22   27.373   27.259   1.4413   29.196   2.0360   25.312   2.0406  1063.03   37.253  989.410   40.115 73.62054 54.74550 
1 1 1    4   13   17 o  1086.60   38.908   30.639   2.1719   29.103   3.0590   32.200   3.0841  1058.92   56.188  1114.28   53.836 -55.35388 77.81604 
1 1 1    4   13   19 o  1330.76   33.819   46.147   2.1768   46.918   2.6727   44.628   3.7515  1348.65   38.547  1312.87   55.579 35.77673 67.63796 
1 1 1    4   13   21 f  1484.92   27.720   56.874   2.1150   54.661   2.9910   59.087   2.9912  1455.93   39.958  1513.91   38.430 -57.98486 55.43954 
1 1 1    4   13   23 o  2079.44   27.802  111.476   2.9721  110.263   4.2024  112.690   4.2041  2068.09   39.524  2090.79   39.111 -22.70239 55.60357 
1 1 1    4   13   25 o  973.546   27.923   24.443   1.3971   25.191   1.9757   23.696   1.9759  988.485   38.876  958.607   40.092 29.87842 55.84557 
1 1 1    4   13   27 o  948.738   28.120   23.218   1.3712   22.510   1.9332   23.935   1.9452  934.134   40.253  963.342   39.275 -29.20801 56.23912 
1 1 1    4   13   29 o  2969.31   34.767  229.773   4.9841  222.722   8.6251  233.308   6.1070  2931.74   57.223  3006.88   39.504 -75.13794 69.53420 
1 1 1    4   13   31 o  864.847   40.576   19.422   1.7982   21.486   2.5690   17.440   2.5179  910.257   54.896  819.437   59.766 90.82001 81.15137 
1 1 1    4   13   33 o  560.768   29.157   8.1601   0.8350   9.3064   1.1865   7.0355   1.1752  600.136   38.455  521.401   43.839 78.73511 58.31499 
1 1 1    4   13   35 o  1078.85   34.951   29.976   1.8365   31.175   3.1766   29.374   2.2508  1093.00   56.529  1064.70   41.118 28.29565 69.90117 
1 1 1    4   13   37 o  1381.31   28.900   49.561   2.0516   51.159   2.9030   47.966   2.8997  1403.78   40.224  1358.83   41.507 44.94446 57.79919 
1 1 1    4   13   39 o  763.959   34.982   14.768   1.3142   13.619   1.6105   17.057   2.2736  722.653   43.348  805.266   54.917 -82.61395 69.96376 
1 1 1    4   13   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   13   43 o  1085.35   35.670   30.203   1.8917   28.136   2.3052   34.464   3.3100  1034.56   43.340  1136.14   56.666 -101.5785 71.34013 
1 1 1    4   13   45 o  833.436   37.546   18.934   1.4974   19.613   1.8348   17.580   2.5911  862.719   41.366  804.153   62.671 58.56671 75.09225 
1 1 1    4   13   47 o  194.330   39.644   1.0704   0.4110   1.1692   0.5038   0.8736   0.7110  205.245   48.509  183.414   62.716 21.83119 79.28705 
1 1 1    4   13   49 o  441.492   39.126   5.4648   0.8205   5.7754   1.0071   4.8516   1.4150  465.990   42.036  416.994   66.003 48.99567 78.25179 
1 1 1    4   13   51 o  647.490   62.744   11.755   2.0887   11.755   2.0887   0.0000   0.0000  647.490   62.744  ?   ?       ?      ? 
1 1 1    4   13   53 o  747.731   45.316   16.014   1.7419   16.307   2.4736   15.726   2.4534  754.939   63.730  740.524   64.441 14.41498 90.63213 
1 1 1    4   13   55 o  503.062   38.171   6.8506   0.9403   6.2150   1.1459   8.1606   1.6450  474.306   46.993  531.817   60.164 -57.51141 76.34156 
1 1 1    4   13   57 o  424.738   51.378   6.5449   0.9399   8.0576   1.1515   3.5255   1.6269  540.867   41.410  308.609   94.042 232.2583 102.7554 
1 1 1    4   14    0 o  205.816   63.092   1.3592   0.5836   0.0000   0.0000   1.3592   0.5836  205.816   63.092  205.816   63.092 -0.000000 0.000000 
1 1 1    4   14    2 o  585.205   34.035   8.8425   1.0226   8.2269   1.4294   9.4879   1.4636  564.282   49.270  606.127   46.967 -41.84473 68.06969 
1 1 1    4   14    4 o  420.303   49.099   4.6486   1.0309   3.9749   1.4221   5.3947   1.4967  384.530   74.624  456.076   63.828 -71.54578 98.19801 
1 1 1    4   14    6 o  939.029   37.492   23.082   1.6752   22.108   2.9696   23.537   2.0288  923.113   62.570  954.944   41.323 -31.83124 74.98427 
1 1 1    4   14    8 o  882.507   28.695   20.106   1.3019   19.970   1.8288   20.246   1.8537  879.499   40.444  885.515   40.718 -6.016235 57.39016 
1 1 1    4   14   10 o  1726.49   27.916   77.016   2.4763   77.287   3.4443   76.726   3.5628  1729.80   38.729  1723.19   40.215 6.604858 55.83195 
1 1 1    4   14   12 o  393.061   27.906   4.0132   0.5611   4.3723   0.7822   3.6327   0.8053  411.394   36.983  374.729   41.799 36.66486 55.81135 
1 1 1    4   14   14 f  602.494   27.461   9.3773   0.8503   8.9947   1.1886   9.7784   1.2168  589.882   39.191  615.105   38.478 -25.22327 54.92276 
1 1 1    4   14   16 o  725.275   38.814   13.647   1.4469   13.241   2.0386   14.060   2.0540  714.320   55.510  736.231   54.264 -21.91083 77.62748 
1 1 1    4   14   18 o  2430.69   33.450  152.142   3.9453  151.045   4.8300  154.342   6.8392  2419.67   38.826  2441.71   54.480 -22.04639 66.89989 
1 1 1    4   14   20 o  2556.40   33.808  168.905   4.1863  168.311   7.2513  169.202   5.1270  2551.08   55.287  2561.72   38.928 -10.64185 67.61664 
1 1 1    4   14   22 o  1144.65   27.749   33.779   1.6329   34.230   2.3081   33.328   2.3104  1152.32   38.960  1136.98   39.524 15.33179 55.49806 
1 1 1    4   14   24 o  1617.51   27.869   67.456   2.3176   67.034   3.2773   67.878   3.2778  1612.44   39.533  1622.59   39.292 -10.14758 55.73794 
1 1 1    4   14   26 o  2152.00   34.845  121.547   3.6073  114.170   6.2333  125.262   4.4233  2100.10   57.731  2203.91   39.037 -103.8176 69.69093 
1 1 1    4   14   28 o  949.742   36.358   24.472   1.6323   20.226   2.8028   26.652   2.0079  883.044   61.736  1016.44   38.423 -133.3957 72.71633 
1 1 1    4   14   30 o  987.823   40.281   25.196   2.0458   25.196   2.0458   0.0000   0.0000  987.823   40.281  ?   ?       ?      ? 
1 1 1    4   14   32 o  2099.75   28.452  113.947   3.0709  111.242   4.3398  116.660   4.3461  2074.67   40.687  2124.84   39.784 -50.17163 56.90471 
1 1 1    4   14   34 o  755.804   28.838   14.792   1.1206   14.738   1.5872   14.845   1.5823  754.411   40.922  757.198   40.645 -2.786804 57.67672 
1 1 1    4   14   36 o  1219.19   28.797   38.576   1.8050   38.857   2.5467   38.293   2.5585  1223.72   40.479  1214.67   40.970 9.050171 57.59364 
1 1 1    4   14   38 o  1039.41   29.208   28.127   1.5580   30.286   2.2171   26.021   2.1899  1079.24   39.957  999.575   42.613 79.66620 58.41610 
1 1 1    4   14   40 o  363.368   47.479   3.7092   0.8467   5.4739   1.2138   2.0365   1.1817  455.958   51.777  270.779   79.600 185.1788 94.95776 
1 1 1    4   14   42 o  300.334   46.223   2.5196   0.6931   2.4002   1.0014   2.6294   0.9602  292.642   67.873  308.026   62.765 -15.38388 92.44574 
1 1 1    4   14   44 o  1060.22   35.584   28.959   1.8427   27.016   2.2453   32.966   3.2247  1012.24   43.145  1108.20   56.599 -95.96198 71.16798 
1 1 1    4   14   46 o  461.810   40.153   6.0945   0.8654   6.7191   1.0637   4.8722   1.4882  504.342   41.024  419.278   69.037 85.06357 80.30582 
1 1 1    4   14   48 o  122.567   33.185   0.1597   0.2729   0.0000   0.3188   0.5972   0.5277   90.267   38.620  154.867   53.976 -64.59927 66.36922 
1 1 1    4   14   50 o  566.343   63.872   8.9756   1.8598   8.9756   1.8598   0.0000   0.0000  566.343   63.872  ?   ?       ?      ? 
1 1 1    4   14   52 o  515.197   40.380   7.8727   0.8727   8.3344   1.0051   6.4579   1.7594  560.591   34.872  469.803   72.842 90.78833 80.75901 
1 1 1    4   14   54 o  275.969   43.300   2.2239   0.5733   2.1616   0.7040   2.3465   0.9877  275.112   51.669  276.825   69.498 -1.712799 86.60081 
1 1 1    4   14   56 o  267.486   43.921   2.3837   0.6029   2.8820   0.7388   1.3906   1.0430  322.713   44.531  212.259   75.717 110.4538 87.84176 
1 1 1    4   15    1 o  1434.47   41.994   53.404   2.9224   53.119   5.0417   53.548   3.5864  1429.61   68.594  1439.32   48.465 -9.705444 83.98825 
1 1 1    4   15    3 o  1175.57   39.498   35.199   2.2483   37.559   3.9596   34.076   2.7314  1202.78   64.032  1148.37   46.263 54.40454 78.99546 
1 1 1    4   15    5 o  960.762   31.035   23.802   1.5302   25.921   2.2127   21.858   2.1184  1001.78   42.961  919.738   44.799 82.04755 62.06988 
1 1 1    4   15    7 o  864.800   29.601   19.323   1.3149   20.437   1.8737   18.241   1.8458  889.452   40.974  840.149   42.733 49.30310 59.20284 
1 1 1    4   15    9 o  1901.10   28.623   93.427   2.7969   93.823   3.9178   93.016   3.9941  1905.33   39.995  1896.87   40.956 8.456543 57.24515 
1 1 1    4   15   11 f  1461.85   27.948   55.273   2.0987   55.841   2.9171   54.665   3.0216  1469.83   38.603  1453.88   40.424 15.94934 55.89536 
1 1 1    4   15   13 o  321.694   28.039   2.6715   0.4617   2.3417   0.6394   3.0309   0.6674  300.897   41.331  342.490   37.902 -41.59238 56.07809 
1 1 1    4   15   15 o  1975.58   38.692  101.252   3.9296  102.143   5.5398  100.350   5.5749  1984.46   54.297  1966.70   55.136 17.75818 77.38311 
1 1 1    4   15   17 o  642.699   27.667   10.655   0.9135   10.118   1.2817   11.210   1.3025  626.184   39.811  659.213   38.430 -33.02893 55.33394 
1 1 1    4   15   19 f  2509.48   33.299  160.455   4.0756  169.343   7.0576  156.007   4.9921  2559.29   53.637  2459.68   39.476 99.61743 66.59827 
1 1 1    4   15   21 f  1525.26   27.615   59.975   2.1654   60.499   3.0622   59.450   3.0626  1531.95   38.879  1518.56   39.227 13.38806 55.22989 
1 1 1    4   15   23 o  842.069   27.922   18.288   1.2082   18.972   1.7089   17.604   1.7085  857.862   38.745  826.276   40.217 31.58649 55.84461 
1 1 1    4   15   25 o  688.829   28.090   12.241   0.9943   11.810   1.4070   12.671   1.4054  676.669   40.442  700.989   38.995 -24.32001 56.17962 
1 1 1    4   15   27 o  1258.42   28.151   40.859   1.8212   41.490   2.5774   40.230   2.5736  1268.15   39.532  1248.68   40.088 19.46704 56.30128 
1 1 1    4   15   29 o  1846.83   35.187   89.252   3.1256   91.184   3.8228   85.356   5.4285  1879.52   39.561  1814.15   58.202 65.37769 70.37460 
1 1 1    4   15   31 o  2491.32   34.171  157.046   4.1525  172.235   7.2471  149.621   5.0667  2576.41   54.712  2406.24   40.956 170.1685 68.34289 
1 1 1    4   15   33 o  773.093   28.889   15.494   1.1429   13.654   1.6033   17.395   1.6295  726.068   42.950  820.118   38.647 -94.04962 57.77761 
1 1 1    4   15   35 o  1094.62   28.907   31.094   1.6251   32.830   2.3027   29.372   2.2937  1125.32   39.800  1063.91   41.934 61.41431 57.81453 
1 1 1    4   15   37 o  600.347   29.193   9.3793   0.9003   9.7369   1.2665   9.0139   1.2800  612.096   40.245  588.598   42.300 23.49878 58.38607 
1 1 1    4   15   39 o  589.291   35.365   8.8078   1.0136   10.071   1.7925   8.2139   1.2290  617.619   56.450  560.963   42.615 56.65643 70.72926 
1 1 1    4   15   41 o  850.445   42.151   19.305   1.8394   20.754   2.6117   17.878   2.5911  883.212   57.516  817.677   61.635 65.53485 84.30294 
1 1 1    4   15   43 o  574.892   37.842   8.9587   1.0366   9.2337   1.2633   8.3922   1.8134  592.747   41.456  557.037   63.321 35.70953 75.68466 
1 1 1    4   15   45 o  313.612   38.199   2.4129   0.5738   1.8431   0.6915   3.6720   1.0280  257.621   53.942  369.602   54.100 -111.9809 76.39702 
1 1 1    4   15   47 o  365.069   41.436   3.7364   0.6991   3.8350   0.8512   3.5320   1.2255  379.800   43.594  350.339   70.480 29.46121 82.87270 
1 1 1    4   15   49 o  829.692   43.663   19.075   1.8595   17.694   2.5990   20.524   2.6615  797.302   63.403  862.083   60.050 -64.78113 87.32655 
1 1 1    4   15   51 o  435.235   49.228   5.5716   1.0332   7.4141   1.4803   3.8212   1.4429  517.816   55.605  352.654   81.252 165.1617 98.45689 
1 1 1    4   15   53 o  286.798   43.435   2.7670   0.6165   3.4832   0.7540   1.3226   1.0708  359.369   40.810  214.227   76.688 145.1427 86.87067 
1 1 1    4   15   55 f  176.968   38.063   0.7890   0.3765   0.4805   0.4656   1.3720   0.6400  139.049   50.462  214.887   56.998 -75.83777 76.12588 
1 1 1    4   15   57 o  269.465   42.856   2.3422   0.5690   2.6291   0.6987   1.7774   0.9803  306.712   44.310  232.219   73.371 74.49355 85.71275 
1 1 1    4   16    0 o  1759.39   69.366   80.466   6.2523   80.466   6.2523   0.0000   0.0000  1759.39   69.366  1759.39   69.366 0.000000 0.000000 
1 1 1    4   16    2 o  545.499   42.528   7.8681   1.1245   7.2850   1.9053   8.1797   1.3929  528.729   70.091  562.269   48.185 -33.53943 85.05602 
1 1 1    4   16    4 o  605.542   38.942   9.2989   1.1394   10.130   2.0241   8.9136   1.3785  624.051   63.086  587.034   45.675 37.01715 77.88486 
1 1 1    4   16    6 o  464.225   38.130   5.5677   0.8467   5.6596   1.5088   5.5255   1.0230  466.218   62.947  462.232   43.048 3.986267 76.25929 
1 1 1    4   16    8 o  319.487   41.146   2.9571   0.5988   2.0760   1.0394   3.3948   0.7326  276.568   72.290  362.406   39.320 -85.83798 82.29146 
1 1 1    4   16   10 o  1490.99   28.550   57.486   2.1880   57.185   3.0594   57.802   3.1305  1487.07   40.016  1494.92   40.731 -7.849976 57.09957 
1 1 1    4   16   12 o  745.787   33.214   13.939   1.2293   16.182   2.0829   12.740   1.5227  789.770   51.298  701.805   42.203 87.96454 66.42722 
1 1 1    4   16   14 o  873.122   38.631   19.776   1.7336   20.343   2.4536   19.210   2.4499  885.737   53.880  860.506   55.376 25.23108 77.26256 
1 1 1    4   16   16 o  1050.89   27.658   28.509   1.4934   29.164   2.0907   27.827   2.1338  1063.29   38.245  1038.48   39.966 24.81543 55.31682 
1 1 1    4   16   18 o  1802.18   39.228   83.970   3.6339   82.047   5.0805   85.984   5.1997  1781.06   55.483  1823.29   55.470 -42.23340 78.45525 
1 1 1    4   16   20 o  1627.99   27.607   68.331   2.3104   69.391   3.2631   67.265   3.2718  1640.70   38.684  1615.28   39.397 25.41406 55.21386 
1 1 1    4   16   22 o  1135.80   27.771   33.261   1.6215   33.845   2.2927   32.677   2.2935  1145.80   38.920  1125.80   39.625 20.00183 55.54190 
1 1 1    4   16   24 o  615.347   28.063   9.7736   0.8869   10.225   1.2496   9.3152   1.2590  629.735   38.596  600.959   40.749 28.77655 56.12625 
1 1 1    4   16   26 o  637.876   28.319   10.498   0.9286   10.303   1.3138   10.694   1.3127  631.919   40.439  643.833   39.657 -11.91333 56.63876 
1 1 1    4   16   28 o  1674.92   40.099   72.768   3.4481   77.346   4.8829   68.215   4.8698  1727.92   54.965  1621.92   58.400 106.0021 80.19798 
1 1 1    4   16   30 o  1233.71   40.160   39.530   2.5461   38.580   3.6249   40.454   3.5771  1218.86   57.846  1248.57   55.724 -29.70764 80.32044 
1 1 1    4   16   32 o  1398.64   28.564   50.630   2.0516   47.775   2.8966   53.505   2.9064  1358.81   41.462  1438.46   39.300 -79.64880 57.12773 
1 1 1    4   16   34 o  294.171   30.977   2.2461   0.4685   2.2245   0.6607   2.2679   0.6643  292.743   43.901  295.599   43.713 -2.856201 61.95314 
1 1 1    4   16   36 o  961.921   28.996   24.051   1.4320   25.668   2.0360   22.468   2.0144  994.219   39.831  929.622   42.148 64.59723 57.99112 
1 1 1    4   16   38 o  609.125   29.486   9.6712   0.9232   9.4364   1.3032   9.9076   1.3081  601.618   42.134  616.632   41.261 -15.01459 58.97185 
1 1 1    4   16   40 o  270.070   44.822   1.9125   0.6224   1.9125   0.6224   0.0000   0.0000  270.070   44.822  ?   ?       ?      ? 
1 1 1    4   16   42 o  360.977   31.433   3.4501   0.5733   4.2577   0.8232   2.6899   0.7988  403.085   39.725  318.868   48.724 84.21771 62.86540 
1 1 1    4   16   44 o  673.590   36.796   12.087   1.1995   11.999   1.4674   12.265   2.0826  674.310   42.326  672.869   60.201 1.441040 73.59122 
1 1 1    4   16   46 o  302.744   41.105   2.7046   0.5842   3.0662   0.7247   2.0333   0.9875  340.351   41.415  265.137   71.016 75.21469 82.21053 
1 1 1    4   16   48 o  649.408   37.058   11.312   1.1711   11.070   1.4365   11.791   2.0224  644.426   43.358  654.391   60.111 -9.964600 74.11618 
1 1 1    4   16   50 o  128.995   49.907   0.3183   0.4710   0.3183   0.4710   0.0000   0.0000  128.995   49.907  ?   ?       ?      ? 
1 1 1    4   16   52 o  834.049   37.475   18.882   1.5244   18.043   1.8661   20.565   2.6431  815.662   44.499  852.436   60.310 -36.77362 74.94927 
1 1 1    4   16   54 o  129.066   34.711   0.3594   0.2908   0.3664   0.3369   0.3387   0.5759  121.804   43.076  136.328   54.441 -14.52350 69.42178 
1 1 1    4   16   56 o  235.466   41.099   1.9119   0.5367   2.4232   0.6402   0.7021   0.9847  296.432   42.006  174.501   70.654 121.9319 82.19743 
1 1 1    4   17    1 o  2006.27   31.454  104.077   3.1760  103.814   4.0913  104.477   5.0381  2004.40   39.701  2008.14   48.799 -3.741333 62.90866 
1 1 1    4   17    3 o  410.629   43.752   4.5737   0.7505   4.6762   0.8605   4.2480   1.5343  425.392   39.347  395.867   78.158 29.52487 87.50372 
1 1 1    4   17    5 o  590.837   41.142   8.9628   1.1601   8.7666   1.3943   9.4042   2.0914  581.727   46.620  599.947   67.803 -18.21924 82.28396 
1 1 1    4   17    7 o  585.373   45.908   8.9538   1.3755   9.0346   1.8649   8.8574   2.0370  588.719   61.613  582.028   68.074 6.691101 91.81651 
1 1 1    4   17    9 f  313.101   36.892   2.5122   0.5539   2.8325   0.9539   2.3492   0.6804  324.966   59.277  301.236   43.934 23.73065 73.78346 
1 1 1    4   17   11 o  797.203   41.087   16.430   1.6840   0.0000   0.0000   16.430   1.6840  ?   ?   797.203   41.087      ?      ? 
1 1 1    4   17   13 o  866.932   54.350   19.484   2.4224   0.0000   0.0000   19.484   2.4224  ?   ?   866.932   54.350      ?      ? 
1 1 1    4   17   15 o  820.119   33.600   17.196   1.3557   18.009   2.3000   16.763   1.6782  834.242   53.624  805.995   40.499 28.24719 67.19932 
1 1 1    4   17   17 o  597.837   39.912   9.2299   1.2256   8.8849   1.6885   9.6141   1.7817  586.076   56.036  609.599   56.849 -23.52313 79.82383 
1 1 1    4   17   19 o  2133.70   27.656  117.373   3.0335  117.886   4.2634  116.846   4.3171  2138.48   38.778  2128.92   39.443 9.555420 55.31228 
1 1 1    4   17   21 o  347.662   28.715   3.1243   0.5118   3.3582   0.7191   2.8842   0.7287  360.927   38.752  334.396   42.385 26.53107 57.43040 
1 1 1    4   17   23 o  1018.66   27.890   26.767   1.4589   25.115   2.0527   28.454   2.0739  986.802   40.459  1050.52   38.399 -63.72003 55.77990 
1 1 1    4   17   25 o  2288.80   27.991  135.144   3.2930  131.487   4.6469  138.833   4.6673  2257.60   40.035  2320.00   39.130 -62.39111 55.98178 
1 1 1    4   17   27 o  1976.19   39.919  101.186   4.0554   99.236   5.7033  103.179   5.7677  1956.87   56.689  1995.51   56.219 -38.63306 79.83826 
1 1 1    4   17   29 o  1050.37   40.540   28.729   2.1742   32.862   3.0952   24.704   3.0547  1125.84   53.474  974.902   60.945 150.9436 81.07899 
1 1 1    4   17   31 o  624.207   28.715   10.086   0.9199   10.793   1.3031   9.3827   1.2988  646.175   39.224  602.238   41.947 43.93689 57.42932 
1 1 1    4   17   33 o  205.557   33.443   1.1324   0.3483   0.8866   0.4777   1.4113   0.5090  181.758   49.694  229.357   44.768 -47.59880 66.88551 
1 1 1    4   17   35 o  509.159   29.448   6.7341   0.7708   6.5706   1.0847   6.9007   1.0954  502.881   41.954  515.438   41.335 -12.55621 58.89635 
1 1 1    4   17   37 o  660.635   29.394   11.366   0.9983   11.392   1.4201   11.340   1.4037  661.355   41.766  659.916   41.373 1.438538 58.78887 
1 1 1    4   17   39 o  325.758   45.423   2.9774   0.7459   4.5064   1.0677   1.5194   1.0426  413.807   50.186  237.710   75.726 176.0972 90.84676 
1 1 1    4   17   41 o  438.848   36.247   4.8513   0.7757   5.9043   1.3780   4.3630   0.9385  470.452   56.974  407.244   44.824 63.20761 72.49339 
1 1 1    4   17   43 o  366.212   30.973   3.5393   0.5824   3.7818   0.8334   3.3078   0.8143  378.684   42.808  353.740   44.774 24.94431 61.94518 
1 1 1    4   17   45 o  562.877   30.720   8.4052   0.8874   7.7915   1.2491   9.0307   1.2609  541.551   44.861  584.204   41.980 -42.65332 61.44011 
1 1 1    4   17   47 o  205.594   40.061   1.1789   0.4222   1.1706   0.5192   1.1951   0.7253  204.755   49.803  206.433   62.763 -1.677124 80.12232 
1 1 1    4   17   49 o  674.259   63.125   12.706   2.1882   12.706   2.1882   0.0000   0.0000  674.259   63.125  ?   ?       ?      ? 
1 1 1    4   17   51 o  242.063   43.022   1.7263   0.5173   1.7834   0.6345   1.6131   0.8932  251.182   50.878  232.944   69.391 18.23708 86.04477 
1 1 1    4   17   53 o  323.544   41.477   2.9134   0.6326   2.7139   0.7643   3.3476   1.1272  313.989   47.344  333.098   68.117 -19.10864 82.95432 
1 1 1    4   17   55 o  404.452   41.256   4.5215   0.8148   4.0355   0.9883   5.5527   1.4396  377.834   50.879  431.070   64.957 -53.23581 82.51112 
1 1 1    4   18    0 o  1039.40   42.239   28.274   2.1216   28.381   2.6179   28.069   3.6214  1045.04   48.969  1033.76   68.838 0.000000 0.000000 
1 1 1    4   18    2 o  1954.60   27.807   98.746   2.7940  100.311   3.9900   97.241   3.9138  1969.78   39.399  1939.43   39.251 30.34180 55.61410 
1 1 1    4   18    4 o  1157.86   32.917   34.763   1.9578   34.083   2.8118   35.403   2.7276  1146.63   47.696  1169.09   45.379 -22.46301 65.83490 
1 1 1    4   18    6 o  622.036   42.204   10.302   1.2294   10.651   1.4774   9.5153   2.2167  641.328   44.808  602.744   71.534 38.58362 84.40878 
1 1 1    4   18    8 o  1760.38   40.201   81.281   3.3020   82.306   3.9343   78.839   6.0730  1783.58   42.905  1737.18   67.996 46.40112 80.40130 
1 1 1    4   18   10 o  1047.79   43.737   28.498   2.3471   27.854   3.1680   29.282   3.4944  1035.15   59.527  1060.42   64.095 -25.26587 87.47395 
1 1 1    4   18   12 o  332.515   40.629   2.8548   0.6946   2.8548   0.6946   0.0000   0.0000  332.515   40.629  ?   ?       ?      ? 
1 1 1    4   18   14 o  1241.50   40.539   39.706   2.5799   37.271   3.4886   42.644   3.8328  1199.84   56.553  1283.15   58.099 -83.31592 81.07881 
1 1 1    4   18   16 o  1836.62   40.126   87.183   3.7815   86.069   5.1727   88.461   5.5419  1824.36   55.149  1848.89   58.301 -24.52759 80.25269 
1 1 1    4   18   18 o  328.434   36.757   2.8628   0.5710   2.7320   0.9687   2.9324   0.7068  319.643   61.175  337.225   40.766 -17.58234 73.51409 
1 1 1    4   18   20 o  1355.43   33.353   46.501   2.2200   50.502   3.8118   44.447   2.7309  1397.95   53.036  1312.91   40.457 85.04077 66.70518 
1 1 1    4   18   22 o  1253.25   33.903   40.382   2.0690   41.122   3.5647   40.005   2.5407  1260.97   54.986  1245.53   39.676 15.44202 67.80579 
1 1 1    4   18   24 o  947.153   33.883   22.799   1.5688   24.389   2.7115   21.999   1.9234  970.882   54.323  923.423   40.513 47.45862 67.76608 
1 1 1    4   18   26 o  1986.45   34.262  101.981   3.3065  102.180   5.7000  101.881   4.0593  1986.02   55.824  1986.89   39.738 -0.8723145 68.52377 
1 1 1    4   18   28 o  647.333   34.909   10.840   1.0927   10.822   1.3351   10.875   1.9018  647.323   40.116  647.343   57.142 -0.1989746E-01 69.81752 
1 1 1    4   18   30 o  1400.31   34.612   50.523   2.3587   51.748   4.0732   49.906   2.8932  1411.20   56.140  1389.42   40.501 21.77930 69.22491 
1 1 1    4   18   32 o  702.373   28.735   12.777   1.0375   12.454   1.4630   13.104   1.4714  693.382   41.040  711.365   40.232 -17.98248 57.47076 
1 1 1    4   18   34 o  617.364   29.429   9.9500   0.9257   11.500   1.3115   8.4114   1.3067  666.007   38.303  568.721   44.689 97.28577 58.85781 
1 1 1    4   18   36 o  475.438   29.838   5.9070   0.7235   5.0161   1.0162   6.8226   1.0302  438.526   45.072  512.350   39.110 -73.82346 59.67517 
1 1 1    4   18   38 o  903.531   41.668   21.631   1.9310   19.707   2.6960   23.658   2.7671  861.370   60.877  945.693   56.911 -84.32349 83.33642 
1 1 1    4   18   40 o  347.191   44.651   3.2863   0.7780   2.9286   1.0896   3.6583   1.1112  324.050   67.590  370.332   58.364 -46.28146 89.30148 
1 1 1    4   18   42 o  418.887   30.550   4.6439   0.6528   3.9847   0.9215   5.3082   0.9250  388.178   46.172  449.596   40.015 -61.41833 61.09909 
1 1 1    4   18   44 o  162.492   35.066   0.6981   0.3210   0.8547   0.4773   0.5688   0.4337  176.422   50.214  148.561   48.959 27.86082 70.13110 
1 1 1    4   18   46 o  247.881   33.960   1.6948   0.4171   1.6319   0.5835   1.7605   0.5964  242.949   48.419  252.813   47.630 -9.863831 67.91925 
1 1 1    4   18   48 o  404.726   46.780   4.5962   0.9729   4.5912   1.3966   4.6010   1.3561  403.943   67.250  405.509   65.045 -1.565857 93.55976 
1 1 1    4   18   50 o  191.836   42.331   0.9707   0.5110   1.6117   0.7198   0.3193   0.7257  235.920   59.385  147.753   60.341 88.16707 84.66235 
1 1 1    4   18   52 o  595.295   39.728   10.071   1.1339   10.306   1.3915   9.6070   1.9564  615.672   43.960  574.919   66.188 40.75311 79.45639 
1 1 1    4   18   54 o  302.120   45.085   2.9356   0.6632   3.4260   0.8285   2.0607   1.1066  351.983   45.783  252.256   77.683 99.72723 90.17080 
1 1 1    4   18   56 o  128.360   34.597   0.2539   0.2761   0.1226   0.3133   0.7116   0.5849   96.848   39.610  159.872   56.735 -63.02380 69.19403 
1 1 1    4   19    1 o  155.048   30.518   0.6391   0.2525   0.6870   0.3613   0.5934   0.3530  160.217   42.972  149.880   43.346 10.33653 61.03644 
1 1 1    4   19    3 o  724.876   27.815   13.581   1.0365   13.676   1.4780   13.489   1.4540  727.357   39.525  722.396   39.148 4.960876 55.63059 
1 1 1    4   19    5 o  862.033   32.509   19.258   1.4392   18.870   2.0706   19.621   2.0019  853.451   47.189  870.616   44.726 -17.16510 65.01717 
1 1 1    4   19    7 o  870.174   40.722   20.465   1.6491   17.732   2.9508   21.706   1.9887  824.082   69.647  916.265   42.216 -92.18274 81.44308 
1 1 1    4   19    9 o  1219.02   41.030   38.462   2.5546   39.533   3.8617   37.629   3.4065  1233.46   60.895  1204.58   55.005 28.88293 82.05915 
1 1 1    4   19   11 o  743.140   34.514   14.517   1.2576   15.125   1.5779   13.458   2.0822  765.534   40.091  720.745   56.192 44.78955 69.02805 
1 1 1    4   19   13 o  526.098   38.011   7.2433   0.9227   7.3546   1.0917   6.9650   1.7262  533.983   39.767  518.212   64.791 15.77124 76.02213 
1 1 1    4   19   15 o  919.858   40.902   21.881   1.9258   21.772   2.6011   22.013   2.8650  917.588   55.137  922.127   60.432 -4.539185 81.80493 
1 1 1    4   19   17 o  2011.14   34.737  102.681   3.3268   99.895   3.9847  109.093   6.0440  1968.47   39.373  2053.82   57.239 -85.35388 69.47326 
1 1 1    4   19   19 o  648.809   35.946   11.109   1.0996   11.492   1.3274   10.271   1.9629  667.685   38.669  629.933   60.607 37.75250 71.89272 
1 1 1    4   19   21 o  2216.23   39.782  127.028   4.5315  125.714   6.3204  128.418   6.5006  2204.56   55.764  2227.89   56.753 -23.33350 79.56429 
1 1 1    4   19   23 o  1149.73   34.679   34.477   1.9271   33.216   3.3226   35.116   2.3656  1132.67   57.057  1166.79   39.435 -34.11682 69.35851 
1 1 1    4   19   25 o  1460.73   39.695   55.064   2.9811   0.0000   0.0000   55.064   2.9811  ?   ?   1460.73   39.695      ?      ? 
1 1 1    4   19   27 o  1196.59   40.260   37.224   2.4680   40.916   3.4965   33.559   3.4840  1256.37   54.131  1136.82   59.609 119.5498 80.51989 
1 1 1    4   19   29 o  682.425   35.799   12.241   1.1759   11.584   2.0330   12.571   1.4415  667.404   59.248  697.446   40.200 -30.04248 71.59876 
1 1 1    4   19   31 o  574.891   36.947   8.8799   1.0101   7.8119   1.7477   9.4156   1.2378  546.669   62.183  603.114   39.921 -56.44458 73.89437 
1 1 1    4   19   33 o  635.002   29.344   10.482   0.9545   9.3968   1.3426   11.591   1.3572  601.433   43.421  668.570   39.484 -67.13721 58.68830 
1 1 1    4   19   35 o  1000.46   29.017   26.031   1.4925   26.012   2.1067   26.050   2.1149  1000.11   40.971  1000.81   41.102 -0.6964722 58.03479 
1 1 1    4   19   37 o  440.325   34.711   4.8242   0.7556   6.0637   1.3047   4.1988   0.9268  479.962   52.874  400.687   44.987 79.27484 69.42297 
1 1 1    4   19   39 o  109.554   31.082   0.1450   0.2712   0.0000   0.4085   0.2594   0.3627  102.586   43.799  116.522   44.115 -13.93533 62.16499 
1 1 1    4   19   41 f  470.239   30.683   5.8868   0.7219   4.3080   1.0076   7.5522   1.0348  403.288   48.598  537.190   37.469 -133.9024 61.36546 
1 1 1    4   19   43 o  511.889   30.479   6.9412   0.7985   6.1643   1.1235   7.7341   1.1351  482.140   45.326  541.640   40.762 -59.49985 60.95854 
1 1 1    4   19   45 o  281.852   32.002   2.1131   0.4633   2.1829   0.6736   2.0505   0.6381  286.145   45.789  277.560   44.719 8.584839 64.00330 
1 1 1    4   19   47 o  543.225   30.585   7.8718   0.8525   7.2510   1.1952   8.5147   1.2163  520.780   44.641  565.670   41.821 -44.88977 61.17005 
1 1 1    4   19   49 o  275.154   67.663   2.2311   0.9505   2.2311   0.9505   0.0000   0.0000  275.154   67.663  ?   ?       ?      ? 
1 1 1    4   19   51 o  140.182   35.518   0.4436   0.3148   0.3285   0.3911   0.6553   0.5306  122.794   45.953  157.570   54.172 -34.77551 71.03666 
1 1 1    4   19   53 o  196.589   40.544   1.1891   0.4549   1.4732   0.5677   0.6793   0.7604  226.119   50.148  167.058   63.720 59.06111 81.08709 
1 1 1    4   19   55 o  435.980   46.914   6.0667   0.9199   6.6606   1.1342   4.9251   1.5724  488.678   45.143  383.282   82.255 105.3962 93.82838 
1 1 1    4   20    0 o  735.998   45.151   14.821   1.5469   15.815   1.9087   12.920   2.6404  778.478   48.111  693.518   76.419 0.000000 0.000000 
1 1 1    4   20    2 o  1158.51   34.541   34.878   2.0507   32.593   2.9512   37.010   2.8516  1121.28   51.194  1195.74   46.385 -74.46313 69.08273 
1 1 1    4   20    4 o  891.512   33.715   20.572   1.5434   20.631   2.2401   20.519   2.1296  892.572   48.814  890.452   46.518 2.119690 67.42961 
1 1 1    4   20    6 o  578.737   44.238   8.6681   1.3054   9.0088   1.9938   8.4124   1.7269  588.287   65.921  569.187   59.013 19.09949 88.47668 
1 1 1    4   20    8 f  2223.42   35.434  126.992   3.9610  123.678   5.0649  132.210   6.3560  2187.72   45.031  2259.12   54.723 -71.39990 70.86876 
1 1 1    4   20   10 o  2677.90   29.844  185.147   4.1076  180.982   5.8328  189.245   5.7855  2647.85   42.846  2707.95   41.556 -60.10425 59.68834 
1 1 1    4   20   12 o  716.483   29.220   13.241   1.0763   13.154   1.5097   13.331   1.5347  714.096   41.122  718.871   41.524 -4.775269 58.44009 
1 1 1    4   20   14 o  1101.31   37.757   31.903   1.9219   32.656   2.2814   30.062   3.5667  1125.44   39.428  1077.17   64.403 48.26782 75.51391 
1 1 1    4   20   16 o  1331.83   34.758   46.620   2.2538   43.155   3.7870   48.521   2.8045  1291.79   57.021  1371.86   39.763 -80.07104 69.51570 
1 1 1    4   20   18 o  1859.12   28.077   89.122   2.6823   89.387   3.7391   88.842   3.8501  1862.05   39.058  1856.19   40.344 5.863403 56.15314 
1 1 1    4   20   20 o  3539.37   34.884  322.897   5.8965  321.693   7.1192  325.529   10.523  3532.07   39.204  3546.68   57.710 -14.61157 69.76706 
1 1 1    4   20   22 o  1100.34   35.086   31.417   1.8432   31.631   2.2309   30.956   3.2720  1107.39   39.184  1093.29   58.212 14.10474 70.17155 
1 1 1    4   20   24 o  1078.20   40.040   30.110   2.2189   29.104   3.1096   31.154   3.1672  1059.80   57.071  1096.61   56.176 -36.81531 80.08019 
1 1 1    4   20   26 o  362.309   42.070   3.3912   0.7837   3.3912   0.7837   0.0000   0.0000  362.309   42.070  ?   ?       ?      ? 
1 1 1    4   20   28 o  933.850   40.471   22.657   1.9408   21.223   2.7239   24.134   2.7658  903.610   58.634  964.089   55.801 -60.47961 80.94230 
1 1 1    4   20   30 o  444.703   45.261   5.3643   0.9666   7.1011   1.3734   3.6593   1.3608  522.711   51.105  366.695   74.716 156.0163 90.52164 
1 1 1    4   20   32 o  616.737   36.450   10.149   1.0790   9.2411   1.8533   10.615   1.3271  593.679   60.718  639.794   40.347 -46.11548 72.90041 
1 1 1    4   20   34 o  637.405   35.735   10.620   1.1088   10.631   1.9010   10.614   1.3651  635.933   58.143  638.877   41.561 -2.943970 71.46957 
1 1 1    4   20   36 o   98.400   28.475   0.0945   0.2266   0.0000   0.3700   0.1513   0.2866   97.925   41.743   98.875   38.741 -0.9501343 56.95026 
1 1 1    4   20   38 o  1270.98   58.828   42.981   3.8441   42.981   3.8441   0.0000   0.0000  1270.98   58.828  ?   ?       ?      ? 
1 1 1    4   20   40 o  322.378   43.126   3.2124   0.6366   1.9038   1.0940   3.8823   0.7828  259.834   76.648  384.921   39.554 -125.0864 86.25218 
1 1 1    4   20   42 o  416.998   31.917   4.6746   0.6656   3.4528   0.9386   5.9110   0.9442  359.701   50.751  474.295   38.719 -114.5938 63.83487 
1 1 1    4   20   44 o  362.220   33.878   3.5909   0.5947   2.5831   0.8327   4.6405   0.8498  305.121   55.110  419.319   39.417 -114.1977 67.75507 
1 1 1    4   20   46 o  151.708   33.907   0.6139   0.2968   0.6670   0.4162   0.5590   0.4235  156.779   47.517  146.637   48.383 10.14188 67.81470 
1 1 1    4   20   48 o  230.984   65.102   1.5498   0.8063   1.5498   0.8063   0.0000   0.0000  230.984   65.102  ?   ?       ?      ? 
1 1 1    4   20   50 o  347.271   32.335   3.2718   0.5747   3.3019   0.8549   3.2470   0.7763  347.872   47.800  346.671   43.558 1.201080 64.66932 
1 1 1    4   20   52 o  357.461   38.662   3.4741   0.6779   3.1901   0.8293   4.0460   1.1768  340.134   47.426  374.787   61.073 -34.65344 77.32481 
1 1 1    4   20   54 o  387.936   42.588   3.8731   0.7668   2.2481   0.9295   7.3337   1.3565  267.977   67.500  507.894   51.947 -239.9174 85.17535 
1 1 1    4   21    1 o  1904.23   42.025   95.371   3.8986   98.230   4.8412   90.096   6.5759  1948.50   48.326  1859.96   68.767 88.53345 84.04924 
1 1 1    4   21    3 o  944.830   40.954   23.343   1.9180   23.904   2.4279   22.411   3.1284  961.229   49.129  928.431   65.539 32.79803 81.90845 
1 1 1    4   21    5 o  2048.95   38.577  109.222   3.9353  110.799   4.9995  106.654   6.3805  2070.43   46.968  2027.47   61.211 42.95740 77.15421 
1 1 1    4   21    7 o  399.137   36.527   4.0044   0.7353   3.5609   0.9357   4.7209   1.1891  371.163   49.032  427.110   54.153 -55.94751 73.05303 
1 1 1    4   21    9 o  231.350   34.257   1.4434   0.3945   1.2249   0.5646   1.6519   0.5515  213.462   51.939  249.238   44.683 -35.77608 68.51447 
1 1 1    4   21   11 o  1277.66   29.846   42.127   1.9596   40.795   2.7787   43.445   2.7639  1257.47   42.980  1297.84   41.422 -40.36853 59.69129 
1 1 1    4   21   13 o  2981.68   42.576  228.015   6.4834  213.177   8.5901  247.655   9.8829  2870.64   58.204  3092.72   62.155 -222.0786 85.15214 
1 1 1    4   21   15 o  148.885   33.170   0.5728   0.3035   0.1560   0.5098   0.8018   0.3778  124.856   50.736  172.914   42.741 -48.05772 66.33985 
1 1 1    4   21   17 o  677.716   28.957   11.938   1.0000   13.510   1.3973   10.288   1.4317  723.989   37.539  631.442   44.102 92.54633 57.91462 
1 1 1    4   21   19 o  1290.58   28.378   43.009   1.8804   44.348   2.6201   41.588   2.7004  1311.44   38.859  1269.72   41.367 41.72534 56.75618 
1 1 1    4   21   21 o  424.603   29.107   4.6562   0.6347   4.7733   0.8847   4.5320   0.9112  430.154   40.002  419.051   42.293 11.10257 58.21400 
1 1 1    4   21   23 o  634.523   35.914   10.722   1.0948   9.5107   1.8648   11.359   1.3524  605.584   59.893  663.462   39.648 -57.87830 71.82755 
1 1 1    4   21   25 o  466.763   34.803   5.5664   0.7903   5.4210   0.9658   5.8610   1.3748  458.139   41.003  475.388   56.248 -17.24857 69.60674 
1 1 1    4   21   27 o  439.276   42.026   5.0450   0.9372   4.0977   1.3141   6.0258   1.3370  396.633   64.440  481.919   53.964 -85.28653 84.05114 
1 1 1    4   21   29 o  903.746   35.842   21.623   1.5501   22.390   1.8952   20.072   2.6941  930.272   39.626  877.219   59.736 53.05261 71.68460 
1 1 1    4   21   31 o  874.782   35.332   19.821   1.4947   19.611   1.8230   20.252   2.6109  869.645   40.773  879.919   57.714 -10.27362 70.66380 
1 1 1    4   21   33 o  1597.73   35.332   66.611   2.7278   66.465   3.3318   66.908   4.7505  1599.45   40.517  1596.02   57.894 3.431396 70.66396 
1 1 1    4   21   35 o  184.555   41.070   0.8951   0.4031   0.9469   0.4643   0.7362   0.8128  186.716   48.074  182.393   66.602 4.323242 82.14024 
1 1 1    4   21   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   21   39 o  1078.68   42.364   31.206   2.3474   29.865   3.3265   32.536   3.3131  1054.51   61.357  1102.86   58.431 -48.35413 84.72839 
1 1 1    4   21   41 o  249.482   39.495   1.6717   0.4775   1.9638   0.8073   1.5146   0.5921  264.678   60.627  234.286   50.635 30.39206 78.99086 
1 1 1    4   21   43 o  488.187   38.377   6.6159   0.8977   5.8375   1.5235   7.0299   1.1111  460.926   64.290  515.448   41.929 -54.52219 76.75409 
1 1 1    4   21   45 o  427.096   39.394   5.1059   0.8000   4.5339   1.3775   5.3970   0.9827  403.557   66.394  450.635   42.417 -47.07828 78.78699 
1 1 1    4   21   47 o  407.501   63.149   4.6370   1.3230   0.0000   0.0000   4.6370   1.3230  ?   ?   407.501   63.149      ?      ? 
1 1 1    4   21   49 o  421.298   37.086   4.4490   0.7666   6.7922   1.3325   3.2900   0.9372  496.973   52.153  345.623   52.741 151.3500 74.17241 
1 1 1    4   21   51 o  346.538   40.346   3.1808   0.6760   4.3597   1.1872   2.6151   0.8224  391.413   58.994  301.663   55.053 89.74969 80.69147 
1 1 1    4   21   53 o  182.569   39.811   0.7998   0.4839   0.0000   0.6590   1.7351   0.7127  124.262   54.335  240.876   58.200 -116.6142 79.62103 
1 1 1    4   21   55 o  221.117   41.403   1.4309   0.4597   1.2438   0.5654   1.7959   0.7897  203.364   53.397  238.871   63.290 -35.50739 82.80634 
1 1 1    4   22    0 o  125.378   44.771   0.4878   0.4179   0.9693   0.5891   0.0000   0.5929  162.642   69.260   88.113   56.752 -0.000000 0.000000 
1 1 1    4   22    2 o  1199.26   31.340   37.170   1.9012   37.328   2.4797   36.944   2.9615  1202.85   40.097  1195.68   48.176 7.168579 62.67930 
1 1 1    4   22    4 f  398.889   28.414   4.1015   0.5813   4.5002   0.8353   3.7270   0.8096  417.719   38.894  380.058   41.434 37.66156 56.82885 
1 1 1    4   22    6 o  698.281   32.679   12.573   1.1724   13.192   1.6927   12.002   1.6253  714.800   46.060  681.762   46.370 33.03729 65.35834 
1 1 1    4   22    8 o  1564.78   39.889   63.589   2.9469   62.703   5.3381   63.977   3.5343  1554.95   66.773  1574.61   43.657 -19.66406 79.77808 
1 1 1    4   22   10 o  1663.13   36.920   71.811   2.9824   70.422   5.1160   72.526   3.6707  1649.46   60.329  1676.81   42.579 -27.35132 73.84098 
1 1 1    4   22   12 f  1706.63   43.876   75.246   3.8136   74.257   5.0438   76.566   5.8273  1694.35   57.901  1718.91   65.939 -24.55383 87.75237 
1 1 1    4   22   14 o  1626.84   35.028   68.367   2.8017   68.272   4.7067   68.419   3.4866  1624.88   56.341  1628.81   41.636 -3.921875 70.05614 
1 1 1    4   22   16 o  549.608   29.218   7.7830   0.8252   7.4602   1.1478   8.1283   1.1871  537.817   41.512  561.399   41.129 -23.58167 58.43626 
1 1 1    4   22   18 o  1568.44   28.465   63.426   2.2947   62.536   3.1993   64.369   3.2932  1557.15   39.962  1579.72   40.548 -22.57434 56.93060 
1 1 1    4   22   20 o  2252.26   28.349  130.750   3.2810  125.475   4.5674  136.374   4.7161  2205.33   40.284  2299.19   39.897 -93.86499 56.69720 
1 1 1    4   22   22 o  811.649   34.617   16.953   1.3740   17.303   2.3474   16.770   1.6947  817.269   55.866  806.030   40.896 11.23859 69.23481 
1 1 1    4   22   24 o  763.718   33.776   14.594   1.2618   13.578   1.5381   16.684   2.2064  725.026   41.264  802.410   53.483 -77.38348 67.55134 
1 1 1    4   22   26 o  1418.07   35.616   52.708   2.4133   53.783   2.9338   50.460   4.2438  1442.86   39.549  1393.28   59.245 49.58167 71.23241 
1 1 1    4   22   28 o  1755.18   28.467   79.758   2.5667   83.404   3.6281   76.105   3.6316  1795.63   39.300  1714.73   41.194 80.89990 56.93314 
1 1 1    4   22   30 o  330.150   30.943   2.8479   0.5204   3.2729   0.7339   2.4181   0.7381  355.341   40.170  304.960   47.077 50.38138 61.88546 
1 1 1    4   22   32 o  1166.86   28.863   35.374   1.7314   35.699   2.4407   35.045   2.4565  1172.35   40.494  1161.37   41.141 10.97424 57.72653 
1 1 1    4   22   34 o  522.475   29.986   7.1188   0.8024   6.3336   1.1218   7.9412   1.1481  492.635   44.293  552.314   40.432 -59.67902 59.97174 
1 1 1    4   22   36 o  326.710   64.734   2.9423   1.0489   2.9423   1.0489   0.0000   0.0000  326.710   64.734  ?   ?       ?      ? 
1 1 1    4   22   38 o  1056.78   42.407   29.911   2.2944   26.553   3.2090   33.424   3.2818  994.032   62.791  1119.53   57.017 -125.4974 84.81480 
1 1 1    4   22   40 o  449.355   36.599   5.0917   0.8048   4.4987   0.9758   6.3530   1.4231  412.342   46.031  486.367   56.914 -74.02487 73.19866 
1 1 1    4   22   42 o  166.890   37.188   0.4279   0.3379   0.1306   0.3845   1.4362   0.7081  107.944   43.986  225.836   59.976 -117.8923 74.37675 
1 1 1    4   22   44 o  225.095   40.222   1.4788   0.4555   1.6238   0.5595   1.1936   0.7844  242.909   46.495  207.281   65.647 35.62758 80.44482 
1 1 1    4   22   46 o  512.359   45.305   7.3823   1.1757   6.0596   1.6677   8.6894   1.6578  462.315   70.163  562.403   57.335 -100.0883 90.61014 
1 1 1    4   22   48 o  336.985   50.583   3.3844   0.8484   3.5352   1.1709   3.2177   1.2310  347.212   68.028  326.758   74.878 20.45480 101.1659 
1 1 1    4   22   50 o  171.166   36.544   0.8427   0.4075   0.0000   0.6878   1.2984   0.5058  128.195   55.794  214.137   47.211 -85.94286 73.08789 
1 1 1    4   22   52 o  391.793   43.814   4.7318   0.7872   3.7818   1.3127   5.2653   0.9837  345.526   75.966  438.060   43.679 -92.53424 87.62797 
1 1 1    4   22   54 o  377.017   53.470   4.6030   0.9984   4.2636   1.3582   5.0022   1.4727  361.698   75.480  392.335   75.756 -30.63693 106.9398 
1 1 1    4   23    1 o  398.057   32.847   4.1505   0.6560   4.4047   0.8558   3.7882   1.0215  413.268   40.280  382.847   51.896 30.42178 65.69383 
1 1 1    4   23    3 o  1255.18   28.223   40.626   1.8210   40.746   2.6016   40.510   2.5497  1256.97   40.257  1253.39   39.566 3.577393 56.44598 
1 1 1    4   23    5 o  423.599   31.173   4.5991   0.6728   4.4124   0.8863   4.8531   1.0336  413.605   41.680  433.592   46.366 -19.98657 62.34555 
1 1 1    4   23    7 o  1311.38   32.497   44.432   2.1878   43.332   3.1565   45.449   3.0352  1295.57   47.389  1327.19   44.482 -31.61133 64.99474 
1 1 1    4   23    9 o  933.285   41.679   22.564   1.8259   22.605   2.1781   22.466   3.3491  935.960   45.264  930.610   69.998 5.349976 83.35786 
1 1 1    4   23   11 f  1160.56   45.091   34.764   2.6678   33.994   3.5326   35.787   4.0698  1146.15   59.948  1174.97   67.372 -28.81934 90.18198 
1 1 1    4   23   13 o  1590.30   29.756   65.230   2.4328   65.252   3.4312   65.207   3.4499  1590.59   41.959  1590.01   42.202 0.5759277 59.51120 
1 1 1    4   23   15 o  542.730   29.938   7.6290   0.8319   8.2618   1.1617   6.9629   1.1918  566.029   39.918  519.430   44.629 46.59930 59.87649 
1 1 1    4   23   17 f  1205.42   28.901   37.439   1.7898   35.564   2.4865   39.454   2.5783  1174.12   41.191  1236.73   40.550 -62.61450 57.80173 
1 1 1    4   23   19 f  681.572   29.574   12.111   1.0238   14.040   1.4327   10.099   1.4634  737.843   37.769  625.302   45.519 112.5411 59.14801 
1 1 1    4   23   21 o  527.557   36.496   7.2624   0.9292   7.0244   1.6082   7.3817   1.1384  520.391   60.110  534.722   41.408 -14.33136 72.99184 
1 1 1    4   23   23 o  904.628   35.208   21.573   1.5295   22.332   1.8751   20.064   2.6437  930.042   39.216  879.214   58.485 50.82788 70.41601 
1 1 1    4   23   25 o  447.605   39.089   5.5449   0.8039   6.0845   0.9728   4.3819   1.4280  485.335   38.984  409.876   67.765 75.45935 78.17838 
1 1 1    4   23   27 o  1117.97   35.192   32.599   1.9104   31.990   3.2776   32.912   2.3512  1108.16   57.528  1127.78   40.550 -19.61670 70.38303 
1 1 1    4   23   29 o  669.760   28.905   11.628   0.9952   11.400   1.3984   11.862   1.4166  663.090   41.020  676.430   40.735 -13.34003 57.80984 
1 1 1    4   23   31 o  1333.09   28.796   46.154   1.9736   45.713   2.7787   46.604   2.8036  1326.65   40.739  1339.53   40.709 -12.87878 57.59265 
1 1 1    4   23   33 o  1167.06   29.043   35.465   1.7414   33.778   2.4508   37.185   2.4749  1138.74   41.862  1195.37   40.270 -56.63354 58.08645 
1 1 1    4   23   35 o  171.282   40.710   0.7351   0.4235   0.7308   0.6043   0.7392   0.5937  171.192   57.825  171.371   57.318 -0.1785583 81.41907 
1 1 1    4   23   37 o  1615.62   37.366   71.211   2.8729   75.131   3.5220   63.418   4.9665  1694.15   40.436  1537.09   62.847 157.0649 74.73170 
1 1 1    4   23   39 o  377.477   35.773   3.9597   0.6258   5.7555   0.9009   2.2845   0.8701  468.803   37.377  286.151   61.006 182.6529 71.54577 
1 1 1    4   23   41 o  367.896   31.297   3.5852   0.5918   3.6867   0.8468   3.4883   0.8275  373.010   44.154  362.782   44.366 10.22745 62.59303 
1 1 1    4   23   43 o  217.523   33.143   1.3203   0.3746   1.9067   0.5294   0.7322   0.5302  268.832   38.300  166.216   54.102 102.6159 66.28666 
1 1 1    4   23   45 o  558.682   38.438   8.5596   1.0312   8.6747   1.2607   8.3267   1.7924  570.314   42.996  547.049   63.729 23.26495 76.87669 
1 1 1    4   23   47 o  513.226   43.388   7.0727   1.1448   7.0727   1.1448   0.0000   0.0000  513.226   43.388  ?   ?       ?      ? 
1 1 1    4   23   49 o  518.672   38.382   7.3399   0.9692   7.0275   1.1850   7.9715   1.6847  508.338   45.342  529.006   61.943 -20.66827 76.76436 
1 1 1    4   23   51 f  329.795   45.135   3.3902   0.6871   3.6952   0.8351   2.7510   1.2089  367.216   44.231  292.374   78.690 74.84201 90.26949 
1 1 1    4   23   53 o  478.242   41.905   6.7012   0.9687   6.6708   1.1912   6.7606   1.6647  487.364   47.541  469.121   69.022 18.24310 83.81020 
1 1 1    4   24    0 o  549.219   55.873   8.3291   1.4541   9.3557   2.0289   7.2448   2.0851  590.147   69.384  508.291   87.597 -0.000000 0.000000 
1 1 1    4   24    2 o  1561.41   28.455   62.885   2.2834   61.376   3.2436   64.367   3.2152  1542.77   40.893  1580.06   39.579 -37.29333 56.91006 
1 1 1    4   24    4 o  2060.00   28.145  109.435   2.9797  108.407   4.2607  110.418   4.1687  2050.44   40.417  2069.57   39.179 -19.12427 56.28942 
1 1 1    4   24    6 o  1821.30   33.150   85.601   3.1022   86.122   4.4708   85.117   4.3080  1826.52   47.609  1816.07   46.140 10.45654 66.29901 
1 1 1    4   24    8 o  2113.51   41.577  113.923   4.1677  111.398   4.9817  119.812   7.6079  2077.53   46.641  2149.49   68.843 -71.96606 83.15450 
1 1 1    4   24   10 o  2646.78   45.518  180.010   6.1534  169.433   8.1608  193.947   9.3681  2558.12   62.050  2735.44   66.612 -177.3196 91.03519 
1 1 1    4   24   12 o  538.159   31.253   7.4907   0.8618   6.7949   1.2204   8.1829   1.2172  513.074   46.264  563.244   42.032 -50.17010 62.50664 
1 1 1    4   24   14 o  1334.29   29.861   45.928   2.0484   45.466   2.8853   46.397   2.9086  1327.53   42.274  1341.05   42.186 -13.52185 59.72252 
1 1 1    4   24   16 o  1136.51   37.167   33.671   2.0284   32.634   3.5467   34.176   2.4726  1122.16   61.475  1150.86   41.790 -28.70471 74.33426 
1 1 1    4   24   18 o  1195.31   29.019   36.865   1.7826   36.639   2.4836   37.106   2.5602  1191.59   40.540  1199.03   41.532 -7.445801 58.03788 
1 1 1    4   24   20 o  2621.02   35.379  176.674   4.5142  180.966   7.7914  174.506   5.5386  2642.25   57.355  2599.80   41.437 42.44409 70.75733 
1 1 1    4   24   22 o  687.838   35.131   12.314   1.1739   12.450   1.4457   12.049   2.0113  694.290   40.502  681.387   57.413 12.90295 70.26191 
1 1 1    4   24   24 o  1160.16   35.639   34.353   1.9771   33.471   2.3777   36.330   3.5595  1138.04   40.637  1182.28   58.559 -44.24158 71.27795 
1 1 1    4   24   26 o  1259.81   35.195   41.374   2.1602   40.683   3.6830   41.737   2.6672  1249.71   57.322  1269.92   40.852 -20.21045 70.38940 
1 1 1    4   24   28 o  828.507   29.382   17.909   1.2400   20.664   1.7525   15.146   1.7547  893.291   38.159  763.723   44.688 129.5671 58.76382 
1 1 1    4   24   30 o  737.106   29.424   14.151   1.1111   15.488   1.5693   12.808   1.5733  772.477   39.515  701.734   43.609 70.74292 58.84888 
1 1 1    4   24   32 o  618.315   29.632   9.9491   0.9413   9.4366   1.3128   10.491   1.3504  601.842   42.428  634.789   41.378 -32.94635 59.26434 
1 1 1    4   24   34 f  910.953   35.567   21.458   1.5815   22.983   2.7387   20.695   1.9371  931.848   57.165  890.058   42.332 41.79022 71.13306 
1 1 1    4   24   36 o  493.599   38.852   6.7061   0.9047   7.1424   1.1052   5.8197   1.5753  522.298   41.157  464.899   65.908 57.39923 77.70313 
1 1 1    4   24   38 o  1281.53   29.579   43.184   1.9488   43.041   2.7472   43.329   2.7650  1279.44   41.764  1283.63   41.898 -4.188965 59.15821 
1 1 1    4   24   40 o  569.027   30.202   8.5643   0.8767   7.2516   1.2201   9.9659   1.2607  522.895   45.384  615.159   39.862 -92.26410 60.40412 
1 1 1    4   24   42 o  723.021   30.572   13.878   1.1352   13.052   1.5925   14.731   1.6187  700.630   44.211  745.412   42.238 -44.78174 61.14462 
1 1 1    4   24   44 o  423.654   31.098   4.8099   0.6688   3.9167   0.9352   5.7450   0.9569  381.864   47.635  465.443   39.989 -83.57895 62.19504 
1 1 1    4   24   46 o  230.635   46.930   1.5496   0.5863   1.5465   0.8417   1.5525   0.8172  230.345   67.029  230.924   65.701 -0.5789032 93.85915 
1 1 1    4   24   48 o  632.047   37.384   10.744   1.1650   12.148   1.9901   10.012   1.4370  657.220   58.898  606.874   46.057 50.34607 74.76753 
1 1 1    4   24   50 o  180.698   37.355   0.9368   0.3720   0.7874   0.5248   1.0877   0.5273  167.458   53.765  193.938   51.873 -26.48004 74.70954 
1 1 1    4   24   52 o  206.230   37.240   1.2720   0.4018   1.0011   0.5910   1.5049   0.5480  184.159   56.783  228.300   48.198 -44.14133 74.48050 
1 1 1    4   25    1 o  2260.48   32.222  133.846   3.6462  141.767   4.7344  122.299   5.7164  2345.03   39.269  2175.94   51.098 169.0979 64.44402 
1 1 1    4   25    3 o  2520.94   28.445  163.837   3.6863  165.140   5.2580  162.577   5.1696  2530.77   40.411  2511.12   40.042 19.64990 56.88969 
1 1 1    4   25    5 o  2480.94   32.213  158.975   4.0011  159.462   5.1121  158.206   6.4282  2486.94   39.982  2474.94   50.519 11.99683 64.42630 
1 1 1    4   25    7 o  1052.31   49.031   28.843   2.6330   29.850   3.5528   27.616   3.9218  1073.41   64.377  1031.20   73.972 42.21045 98.06220 
1 1 1    4   25    9 o  1272.92   37.910   41.438   2.3604   43.317   4.0535   40.474   2.9034  1293.51   60.953  1252.34   45.094 41.16699 75.81976 
1 1 1    4   25   11 o  270.783   35.821   1.9493   0.4798   2.0867   0.7007   1.8282   0.6582  279.966   50.543  261.600   50.773 18.36661 71.64133 
1 1 1    4   25   13 o  1216.89   30.554   38.251   1.9090   36.003   2.7015   40.493   2.6980  1181.01   44.493  1252.78   41.889 -71.76978 61.10886 
1 1 1    4   25   15 o  1527.19   29.935   60.202   2.3500   60.815   3.3040   59.574   3.3431  1535.14   41.863  1519.25   42.801 15.88440 59.86982 
1 1 1    4   25   17 o  1343.25   29.496   46.556   2.0365   45.635   2.8424   47.527   2.9192  1329.63   41.580  1356.87   41.846 -27.24036 58.99132 
1 1 1    4   25   19 o  598.819   39.316   9.7320   1.1036   8.1572   1.9317   10.495   1.3446  560.065   67.085  637.573   41.021 -77.50751 78.63295 
1 1 1    4   25   21 o  1169.57   34.162   34.951   1.9631   33.906   2.4239   36.944   3.3466  1145.58   41.155  1193.55   54.537 -47.96423 68.32313 
1 1 1    4   25   23 o  937.623   36.980   22.924   1.6359   23.112   1.9624   22.495   2.9620  945.654   40.362  929.593   61.976 16.06183 73.96040 
1 1 1    4   25   25 o  1080.22   35.356   30.644   1.8618   29.204   3.1437   31.421   2.3107  1058.62   57.760  1101.82   40.790 -43.19800 70.71130 
1 1 1    4   25   27 o  444.833   30.615   5.1905   0.6888   6.2442   0.9732   4.1328   0.9750  490.999   38.553  398.667   47.570 92.33197 61.23085 
1 1 1    4   25   29 o  358.281   30.855   3.3603   0.5636   3.8190   0.7920   2.8897   0.8022  383.533   40.165  333.028   46.851 50.50455 61.71083 
1 1 1    4   25   31 o  276.549   32.303   2.0265   0.4471   1.7851   0.6241   2.2811   0.6408  257.156   48.990  295.943   42.119 -38.78745 64.60686 
1 1 1    4   25   33 o  688.501   37.020   12.716   1.2236   11.799   2.1093   13.180   1.5022  666.300   61.576  710.702   41.113 -44.40161 74.03932 
1 1 1    4   25   35 o  849.922   35.745   18.718   1.4804   17.976   1.8086   20.222   2.5769  828.249   42.473  871.595   57.505 -43.34625 71.49001 
1 1 1    4   25   37 o  393.655   47.105   5.0217   0.8160   2.4156   1.3565   6.4995   1.0215  289.539   85.335  497.771   39.917 -208.2320 94.20929 
1 1 1    4   25   39 o  205.535   33.226   1.1475   0.3782   1.8759   0.5396   0.4440   0.5303  267.040   39.300  144.031   53.586 123.0091 66.45242 
1 1 1    4   25   41 o  851.612   30.224   19.237   1.3228   19.754   1.8666   18.716   1.8750  863.528   42.044  839.697   43.432 23.83099 60.44860 
1 1 1    4   25   43 o  266.602   35.597   1.9638   0.4716   1.3501   0.6523   2.6360   0.6826  218.347   57.361  314.857   42.169 -96.51006 71.19320 
1 1 1    4   25   45 o  453.746   48.566   5.9986   1.0637   4.3074   1.5046   7.6886   1.5040  378.265   79.871  529.228   55.275 -150.9630 97.13220 
1 1 1    4   25   47 o  459.042   49.005   6.1349   1.0988   4.5766   1.5082   7.8976   1.6040  387.321   78.427  530.763   58.781 -143.4426 98.01035 
1 1 1    4   25   49 o  277.056   35.082   2.1453   0.4800   1.5314   0.6525   2.8691   0.7086  229.009   55.909  325.102   42.392 -96.09276 70.16331 
1 1 1    4   25   51 f  110.747   29.935   0.2410   0.2393   0.1513   0.3269   0.3448   0.3514  101.222   40.804  120.271   43.811 -19.04949 59.86969 
1 1 1    4   25   53 o  144.867   32.300   0.5514   0.2945   0.9194   0.4199   0.1953   0.4130  177.558   45.724  112.175   45.635 65.38316 64.60060 
1 1 1    4   26    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   26    2 o  1504.16   43.607   58.656   3.1628   58.803   3.8581   58.354   5.5229  1508.93   49.733  1499.40   71.645 9.527100 87.21394 
1 1 1    4   26    4 o  1348.52   50.056   47.294   3.4597   48.719   4.7549   45.691   5.0433  1370.73   67.471  1326.31   73.961 44.42163 100.1130 
1 1 1    4   26    6 o  1737.45   40.644   78.389   3.4195   77.217   5.9076   78.980   4.1933  1725.76   66.583  1749.14   46.630 -23.38611 81.28699 
1 1 1    4   26    8 o  477.753   33.864   5.9222   0.8278   5.3984   1.1912   6.4114   1.1511  457.097   50.686  498.409   44.923 -41.31204 67.72876 
1 1 1    4   26   10 o  503.389   33.280   6.5355   0.8505   8.0131   1.2398   5.2223   1.1688  557.239   43.276  449.538   50.570 107.7008 66.55918 
1 1 1    4   26   12 o  2303.30   39.688  136.888   4.3102  138.364   7.8743  136.256   5.1502  2309.05   66.330  2297.56   43.600 11.48804 79.37698 
1 1 1    4   26   14 o  1978.64   30.378  101.069   3.0901  100.175   4.3728  101.961   4.3674  1969.86   43.177  1987.42   42.743 -17.55908 60.75549 
1 1 1    4   26   16 o  811.062   30.250   17.003   1.2601   17.725   1.7716   16.264   1.7927  828.602   41.586  793.522   43.942 35.07928 60.50015 
1 1 1    4   26   18 o  824.369   42.630   17.937   1.7754   15.287   2.6306   20.155   2.4060  766.593   66.745  882.145   53.051 -115.5521 85.25956 
1 1 1    4   26   20 o  561.035   34.203   7.8715   0.9555   7.1176   1.1883   9.2508   1.6074  524.656   44.054  597.414   52.332 -72.75885 68.40621 
1 1 1    4   26   22 o  976.087   29.319   24.631   1.4709   24.465   2.0531   24.806   2.1085  972.769   41.051  979.405   41.873 -6.635559 58.63887 
1 1 1    4   26   24 o  778.940   36.553   16.230   1.3770   14.331   2.3100   17.277   1.7150  740.935   60.641  816.945   40.831 -76.01001 73.10589 
1 1 1    4   26   26 f  490.009   30.135   6.2455   0.7573   6.5678   1.0539   5.9014   1.0889  503.310   40.727  476.707   44.428 26.60312 60.27085 
1 1 1    4   26   28 o  390.118   30.819   3.9693   0.6071   3.0504   0.8384   4.9820   0.8802  342.072   47.673  438.165   39.072 -96.09320 61.63896 
1 1 1    4   26   30 f  916.703   29.368   21.872   1.3839   21.482   1.9385   22.278   1.9764  908.370   41.508  925.036   41.558 -16.66559 58.73665 
1 1 1    4   26   32 o  701.221   38.072   13.470   1.2684   11.519   2.1735   14.478   1.5620  657.454   64.303  744.987   40.781 -87.53247 76.14429 
1 1 1    4   26   34 o  902.895   35.244   20.744   1.5552   19.184   1.8933   23.982   2.7271  855.498   43.045  950.292   55.818 -94.79462 70.48788 
1 1 1    4   26   36 o  354.953   48.790   3.5452   0.8651   4.2713   1.2046   2.7718   1.2433  399.030   58.718  310.875   77.937 88.15564 97.58072 
1 1 1    4   26   38 o  823.965   30.108   17.919   1.2751   17.814   1.7810   18.030   1.8264  821.688   42.159  826.243   42.996 -4.554810 60.21625 
1 1 1    4   26   40 o  555.987   31.505   8.2410   0.8942   9.3891   1.2705   7.1137   1.2589  595.703   41.483  516.271   47.429 79.43225 63.01090 
1 1 1    4   26   42 o  908.002   30.737   21.960   1.4345   22.426   2.0223   21.489   2.0352  918.150   42.841  897.854   44.088 20.29669 61.47453 
1 1 1    4   26   44 o  345.050   40.582   3.3046   0.6714   3.3717   1.1236   3.2673   0.8374  341.742   66.343  348.358   46.755 -6.615784 81.16321 
1 1 1    4   26   46 o  188.891   45.411   0.9790   0.5251   0.9736   0.7044   0.9858   0.7876  187.481   62.429  190.302   65.963 -2.821060 90.82117 
1 1 1    4   26   48 o  429.799   32.977   5.0525   0.7258   4.4798   1.0067   5.6721   1.0472  403.370   48.545  456.229   44.646 -52.85846 65.95342 
1 1 1    4   26   50 o  146.723   34.327   0.5898   0.3055   0.6971   0.4078   0.4525   0.4611  156.921   46.922  136.526   50.118 20.39551 68.65483 
1 1 1    4   26   52 o  358.827   36.120   3.6994   0.6193   2.4534   0.8394   5.1877   0.9174  284.174   59.365  433.479   41.163 -149.3045 72.24030 
1 1 1    4   27    1 o  1113.35   51.030   32.289   2.8912   26.659   4.0331   38.241   4.1468  1012.34   77.490  1214.37   66.419 -202.0381 102.0597 
1 1 1    4   27    3 o  903.115   39.634   20.773   1.6142   21.781   3.1997   20.429   1.8696  916.258   67.925  889.973   40.860 26.28448 79.26735 
1 1 1    4   27    5 o  2087.64   38.512  111.334   3.6418  115.639   7.1540  109.828   4.2311  2111.64   65.896  2063.64   39.879 47.99561 77.02345 
1 1 1    4   27    7 f  1511.35   30.507   58.796   2.3461   57.916   3.0926   59.987   3.6007  1498.47   40.143  1524.23   45.947 -25.76062 61.01332 
1 1 1    4   27    9 o  1436.42   32.548   53.404   2.3981   50.494   3.4430   56.145   3.3422  1398.06   47.901  1474.77   44.080 -76.71130 65.09631 
1 1 1    4   27   11 o  1449.49   31.726   54.208   2.3631   56.589   3.3939   51.968   3.2923  1480.39   44.592  1418.58   45.141 61.81702 63.45188 
1 1 1    4   27   13 o  368.502   33.355   3.5031   0.6299   3.9085   0.9111   3.1318   0.8720  388.957   45.560  348.046   48.730 40.91095 66.71093 
1 1 1    4   27   15 o  493.130   32.187   6.2854   0.8158   6.1370   1.1550   6.4331   1.1526  487.287   46.102  498.973   44.928 -11.68567 64.37314 
1 1 1    4   27   17 o  487.060   43.688   6.0598   1.0829   6.9080   1.6843   5.4620   1.4139  515.476   63.555  458.645   59.961 56.83090 87.37573 
1 1 1    4   27   19 o  986.907   35.918   26.057   1.7167   28.007   2.1474   22.604   2.8573  1041.20   40.116  932.610   59.591 108.5953 71.83558 
1 1 1    4   27   21 o  732.477   29.876   13.866   1.1240   13.029   1.5652   14.757   1.6151  709.615   42.902  755.338   41.589 -45.72247 59.75157 
1 1 1    4   27   23 o  256.263   46.482   1.7301   0.6215   1.2720   0.8259   2.3280   0.9436  219.751   67.012  292.775   64.434 -73.02402 92.96382 
1 1 1    4   27   25 o  826.279   29.544   17.697   1.2545   17.014   1.7467   18.424   1.8028  809.808   41.954  842.750   41.608 -32.94263 59.08765 
1 1 1    4   27   27 o  612.424   29.805   9.7559   0.9377   9.9914   1.3110   9.5093   1.3417  620.159   41.117  604.689   43.159 15.47046 59.60929 
1 1 1    4   27   29 o  593.373   29.916   9.1695   0.9123   9.1003   1.2714   9.2430   1.3098  591.151   41.834  595.594   42.776 -4.442932 59.83187 
1 1 1    4   27   31 o  200.748   39.590   1.1357   0.4345   0.7226   0.7033   1.3906   0.5526  175.483   62.221  226.014   48.969 -50.53104 79.17990 
1 1 1    4   27   33 o  585.943   36.561   9.1362   1.0398   9.2712   1.2823   8.8768   1.7769  595.065   41.912  576.820   59.918 18.24438 73.12147 
1 1 1    4   27   35 o  849.426   42.890   19.387   1.8706   19.145   2.5746   19.658   2.7225  844.639   59.289  854.213   61.992 -9.573914 85.77947 
1 1 1    4   27   37 f  122.653   32.962   0.2914   0.2868   0.3039   0.3935   0.2773   0.4187  122.625   46.055  122.680   47.169 -0.5461121E-01 65.92360 
1 1 1    4   27   39 o  281.098   32.356   2.1027   0.4676   2.1241   0.6595   2.0812   0.6630  282.607   45.390  279.590   46.123 3.017822 64.71114 
1 1 1    4   27   41 o  1015.98   30.302   27.444   1.5805   25.554   2.2152   29.405   2.2557  979.431   43.991  1052.52   41.685 -73.08972 60.60438 
1 1 1    4   27   43 o  365.525   39.890   3.5866   0.7212   3.9660   1.2182   3.3820   0.8949  377.311   62.800  353.739   49.204 23.57236 79.78038 
1 1 1    4   27   45 o  658.775   38.631   11.491   1.2314   10.588   1.4846   13.482   2.2043  625.491   46.166  692.058   61.951 -66.56714 77.26100 
1 1 1    4   27   47 o  332.197   34.177   3.0090   0.5803   2.5975   0.7885   3.4951   0.8571  306.861   49.981  357.534   46.629 -50.67352 68.35471 
1 1 1    4   27   49 o  289.418   37.024   2.4359   0.5249   1.1521   0.7140   3.9458   0.7744  197.255   62.651  381.581   39.472 -184.3259 74.04848 
1 1 1    4   27   51 o  533.711   32.582   7.9691   0.8917   7.2543   1.2439   8.7248   1.2789  507.574   47.666  559.849   44.432 -52.27524 65.16303 
1 1 1    4   28    0 o  219.451   63.908   1.6861   0.7632   2.4284   1.1375   1.0782   1.0294  269.393   91.620  169.508   89.123 0.000000 0.000000 
1 1 1    4   28    2 o  380.613   30.772   3.7542   0.5970   3.1643   0.8382   4.3613   0.8504  350.039   46.578  411.187   40.226 -61.14789 61.54399 
1 1 1    4   28    4 o  313.512   33.297   2.5845   0.5135   3.2559   0.7442   1.9745   0.7094  355.253   40.748  271.770   52.673 83.48291 66.59481 
1 1 1    4   28    6 o  2374.84   28.222  145.400   3.4447  150.011   4.9401  141.037   4.8057  2411.48   39.846  2338.21   39.977 73.26953 56.44313 
1 1 1    4   28    8 o  2036.65   33.188  107.147   3.4731  107.598   5.0035  106.728   4.8247  2040.61   47.692  2032.68   46.167 7.936646 66.37673 
1 1 1    4   28   10 o  2082.26   32.288  111.954   3.4551  113.925   4.9744  110.117   4.8027  2099.86   46.076  2064.65   45.245 35.21094 64.57636 
1 1 1    4   28   12 o  959.303   31.764   23.754   1.5656   24.964   2.2496   22.618   2.1803  983.011   44.512  935.595   45.327 47.41681 63.52844 
1 1 1    4   28   14 o  1496.90   39.658   57.227   2.8071   60.274   5.1523   55.940   3.3476  1522.47   65.824  1471.34   44.253 51.13477 79.31686 
1 1 1    4   28   16 o  1775.14   42.628   81.450   3.8525   84.886   5.9245   78.933   5.0711  1806.27   63.797  1744.02   56.557 62.24475 85.25629 
1 1 1    4   28   18 o  1348.49   30.192   46.996   2.0926   45.433   2.9286   48.627   2.9910  1325.54   42.974  1371.45   42.420 -45.91089 60.38363 
1 1 1    4   28   20 o  618.601   30.316   9.9282   0.9619   10.472   1.3420   9.3540   1.3794  636.231   41.025  600.972   44.644 35.25940 60.63147 
1 1 1    4   28   22 o  473.117   44.396   5.7047   1.0652   4.6881   1.3892   7.1549   1.6593  423.157   63.854  523.077   61.699 -99.91989 88.79279 
1 1 1    4   28   24 o  570.365   30.470   8.4680   0.8909   9.1125   1.2516   7.8060   1.2684  592.680   41.074  548.050   45.018 44.62958 60.93959 
1 1 1    4   28   26 o  571.377   30.757   8.5658   0.8926   10.023   1.2580   7.0880   1.2668  621.359   39.379  521.395   47.257 99.96350 61.51360 
1 1 1    4   28   28 o  921.427   29.832   22.150   1.4110   23.204   1.9771   21.056   2.0144  944.213   40.727  898.640   43.600 45.57343 59.66312 
1 1 1    4   28   30 o  580.427   30.406   8.8197   0.9055   9.1912   1.2596   8.4224   1.3026  593.469   41.281  567.385   44.653 26.08405 60.81150 
1 1 1    4   28   32 o  309.727   39.066   2.4715   0.5704   2.2669   0.6862   2.9290   1.0261  293.783   45.432  325.670   63.564 -31.88687 78.13165 
1 1 1    4   28   34 o  648.597   39.510   11.443   1.2017   11.783   1.4463   10.684   2.1591  669.738   42.005  627.455   66.931 42.28235 79.01969 
1 1 1    4   28   36 o  405.458   31.901   4.3512   0.6648   4.3652   0.9305   4.3366   0.9502  406.268   44.550  404.648   45.672 1.620361 63.80124 
1 1 1    4   28   38 o  749.687   30.798   14.919   1.1841   16.172   1.6803   13.682   1.6688  781.907   41.800  717.466   45.241 64.44025 61.59559 
1 1 1    4   28   40 o  782.548   30.734   16.295   1.2363   16.530   1.7442   16.058   1.7527  788.492   43.026  776.605   43.898 11.88739 61.46761 
1 1 1    4   28   42 o  561.957   31.572   8.5024   0.9063   9.3316   1.2617   7.6184   1.3026  591.975   41.455  531.939   47.631 60.03607 63.14441 
1 1 1    4   28   44 o  577.694   37.409   8.8243   1.0597   8.0929   1.2947   10.309   1.8445  547.233   46.018  608.155   58.993 -60.92206 74.81893 
1 1 1    4   28   46 f  490.317   38.859   6.5485   0.9363   7.2887   1.6050   6.1666   1.1529  505.714   61.731  474.920   47.216 30.79349 77.71760 
1 1 1    4   28   48 o  146.392   35.283   0.5717   0.3180   0.5952   0.4318   0.5439   0.4700  147.931   48.857  144.852   50.917 3.079010 70.56557 
1 1 1    4   28   50 o  157.962   36.589   0.7064   0.3423   0.7237   0.4646   0.6857   0.5064  159.232   50.530  156.691   52.931 2.541168 73.17711 
1 1 1    4   29    1 o  1373.66   35.342   48.783   2.4960   48.705   3.5377   48.861   3.5220  1372.53   50.134  1374.78   49.829 -2.253662 70.68475 
1 1 1    4   29    3 o  965.726   29.196   24.067   1.4477   25.751   2.0665   22.443   2.0287  999.007   40.234  932.445   42.318 66.56293 58.39186 
1 1 1    4   29    5 f  682.197   29.484   12.046   1.0312   11.293   1.4816   12.754   1.4360  661.332   43.576  703.062   39.727 -41.73053 58.96702 
1 1 1    4   29    7 f  1063.11   28.563   29.200   1.5590   28.449   2.2464   29.898   2.1655  1049.77   41.621  1076.45   39.128 -26.67773 57.12557 
1 1 1    4   29    9 o  940.476   33.543   22.785   1.6157   25.764   2.3560   20.140   2.2200  998.476   45.896  882.476   48.930 115.9996 67.08671 
1 1 1    4   29   11 o  2087.00   32.240  112.668   3.4562  109.797   4.9531  115.393   4.8249  2060.78   46.750  2113.23   44.410 -52.45142 64.48041 
1 1 1    4   29   13 o  1355.61   44.182   47.299   3.0293   50.320   4.7913   45.288   3.9100  1390.18   67.037  1321.04   57.569 69.13550 88.36366 
1 1 1    4   29   15 f  1039.98   36.074   28.319   1.8692   29.296   2.3907   26.782   2.9980  1064.41   43.686  1015.55   57.419 48.85883 72.14846 
1 1 1    4   29   17 o  454.120   32.154   5.3393   0.7506   5.4144   1.0574   5.2631   1.0656  457.372   44.969  450.867   45.970 6.504822 64.30811 
1 1 1    4   29   19 o  933.263   38.889   21.533   1.7025   20.049   1.9994   25.445   3.2467  879.691   44.208  986.835   63.993 -107.1436 77.77824 
1 1 1    4   29   21 o  1426.34   45.012   54.241   3.2278   59.096   4.2734   47.791   4.9254  1505.32   55.217  1347.36   71.103 157.9559 90.02489 
1 1 1    4   29   23 o  165.680   32.655   0.6921   0.3187   1.1663   0.4548   0.2347   0.4467  208.043   43.903  123.316   48.352 84.72724 65.30997 
1 1 1    4   29   25 o  337.029   31.476   2.9560   0.5452   2.8471   0.7613   3.0706   0.7811  330.635   44.787  343.424   44.238 -12.78864 62.95105 
1 1 1    4   29   27 o  455.195   30.792   5.4072   0.7201   5.5358   1.0081   5.2731   1.0290  460.878   42.543  449.513   44.527 11.36502 61.58408 
1 1 1    4   29   29 o  736.638   30.112   14.223   1.1362   15.380   1.5918   13.020   1.6223  767.910   40.318  705.367   44.736 62.54291 60.22334 
1 1 1    4   29   31 o  950.744   34.954   22.871   1.6367   20.696   2.0048   27.218   2.8342  888.261   43.900  1013.23   54.406 -124.9666 69.90900 
1 1 1    4   29   33 o  424.766   38.960   4.7352   0.7908   4.6042   0.9514   5.0278   1.4224  418.159   44.252  431.372   64.136 -13.21365 77.92066 
1 1 1    4   29   35 o  347.144   34.278   3.2532   0.5796   2.3607   0.7977   4.2508   0.8434  292.457   55.075  401.831   40.826 -109.3742 68.55618 
1 1 1    4   29   37 o  660.214   30.725   11.551   1.0373   10.051   1.4429   13.157   1.4923  614.803   45.650  705.625   41.136 -90.82208 61.44978 
1 1 1    4   29   39 f  564.861   31.677   8.5047   0.9198   8.5051   1.2880   8.5043   1.3139  565.082   44.333  564.640   45.260 0.4420166 63.35467 
1 1 1    4   29   41 o  323.737   35.498   2.8923   0.5664   3.4902   0.8038   2.3028   0.7982  361.572   43.241  285.903   56.308 75.66940 70.99517 
1 1 1    4   29   43 o  535.042   38.862   8.0029   1.0118   8.3007   1.2626   7.4686   1.6912  555.488   44.211  514.596   63.924 40.89160 77.72306 
1 1 1    4   29   45 o  776.796   47.507   17.578   1.8711   20.367   2.6297   14.718   2.6630  848.120   60.308  705.471   73.420 142.6493 95.01360 
1 1 1    4   29   47 o  258.069   36.383   1.9348   0.4725   1.1713   0.6628   2.7236   0.6737  199.443   59.859  316.695   41.374 -117.2529 72.76609 
1 1 1    4   29   49 f  397.859   36.094   4.5078   0.6944   3.1899   0.9492   6.0251   1.0185  327.785   58.470  467.933   42.335 -140.1477 72.18723 
1 1 1    4   30    0 f  2384.92   50.200  147.373   6.1342  158.530   8.8140  136.893   8.5426  2473.05   69.445  2296.78   72.507 0.000000 0.000000 
1 1 1    4   30    2 o  713.519   32.738   13.060   1.1858   12.573   1.5459   13.755   1.8483  697.739   43.093  729.298   49.296 -31.55902 65.47585 
1 1 1    4   30    4 o  1246.59   33.563   40.548   2.0904   41.861   2.6835   38.521   3.3338  1273.40   40.989  1219.78   53.160 53.61609 67.12688 
1 1 1    4   30    6 o  413.472   30.757   4.4063   0.6531   4.6490   0.9505   4.1893   0.8989  424.228   43.580  402.716   43.414 21.51160 61.51411 
1 1 1    4   30    8 o  1426.26   31.132   52.697   2.2555   53.458   2.9809   51.677   3.4497  1438.94   40.294  1413.58   47.467 25.35657 62.26326 
1 1 1    4   30   10 o  1089.42   42.807   30.552   2.1749   31.493   4.0659   30.175   2.5741  1098.72   71.978  1080.11   46.354 18.61340 85.61306 
1 1 1    4   30   12 o  251.367   50.772   1.4859   0.6624   2.3990   1.1824   1.0682   0.7997  297.297   76.812  205.437   66.415 91.86008 101.5434 
1 1 1    4   30   14 o  696.573   36.878   12.768   1.2821   13.451   1.6540   11.740   2.0293  721.067   44.617  672.079   58.730 48.98761 73.75583 
1 1 1    4   30   16 o  762.608   31.704   15.114   1.2373   13.532   1.7570   16.670   1.7427  722.571   47.297  802.645   42.231 -80.07428 63.40725 
1 1 1    4   30   18 o  287.823   48.385   2.3237   0.6566   2.4878   0.7637   1.8584   1.2861  309.560   47.984  266.086   84.035 43.47360 96.76930 
1 1 1    4   30   20 o  1086.56   45.302   31.283   2.4757   32.640   3.2291   29.347   3.8561  1117.98   56.180  1055.15   71.083 62.83203 90.60318 
1 1 1    4   30   22 o  457.775   31.329   5.4491   0.7371   5.2928   1.0398   5.6071   1.0452  451.112   44.831  464.437   43.773 -13.32446 62.65739 
1 1 1    4   30   24 o  866.724   30.575   19.619   1.3568   21.449   1.9074   17.745   1.9305  908.344   40.844  825.105   45.509 83.23895 61.14928 
1 1 1    4   30   26 o  519.131   30.957   7.0589   0.8225   7.7165   1.1531   6.3779   1.1736  544.276   41.209  493.986   46.209 50.28989 61.91488 
1 1 1    4   30   28 o  996.995   30.122   25.954   1.5433   25.083   2.1474   26.884   2.2197  979.701   42.633  1014.29   42.565 -34.58887 60.24436 
1 1 1    4   30   30 o  436.729   42.675   5.5333   0.8377   6.2879   1.0372   4.1179   1.4205  490.154   41.159  383.304   74.769 106.8499 85.34911 
1 1 1    4   30   32 o  853.834   40.191   20.135   1.5952   21.154   1.9207   17.869   2.8643  897.485   41.625  810.184   68.764 87.30151 80.38145 
1 1 1    4   30   34 o  236.598   40.952   1.7010   0.5143   0.8224   0.8944   2.1349   0.6285  188.785   69.719  284.410   42.985 -95.62454 81.90497 
1 1 1    4   30   36 o  489.814   31.949   6.3494   0.7932   5.0184   1.0839   7.8840   1.1638  433.487   48.633  546.140   41.448 -112.6529 63.89891 
1 1 1    4   30   38 o  388.245   32.530   4.0205   0.6489   3.9143   0.8970   4.1370   0.9397  383.015   45.552  393.475   46.452 -10.46057 65.06020 
1 1 1    4   30   40 o  533.683   32.642   7.6782   0.8814   9.3516   1.2630   6.0893   1.2307  592.841   41.438  474.526   50.447 118.3146 65.28388 
1 1 1    4   30   42 o  324.435   50.708   3.1607   0.8180   2.8366   1.2493   3.4040   1.0823  305.003   79.029  343.867   63.559 -38.86356 101.4166 
1 1 1    4   30   44 o  216.984   47.140   1.2906   0.6128   0.6507   0.8265   2.0717   0.9131  170.735   66.095  263.233   67.233 -92.49771 94.28011 
1 1 1    4   30   46 o  202.109   38.517   1.1928   0.4405   1.7390   0.6127   0.6082   0.6338  246.690   50.017  157.529   58.588 89.16084 77.03414 
1 1 1    4   30   48 o  198.186   36.717   1.1380   0.3851   0.8450   0.5263   1.4756   0.5649  171.054   53.722  225.318   50.065 -54.26376 73.43359 
1 1 1    4   30   50 o  208.859   41.800   1.4424   0.5038   0.7221   0.8547   1.8260   0.6236  168.774   66.658  248.944   50.453 -80.16942 83.59910 
1 1 1    4   31    1 o  1251.33   35.686   40.533   2.2957   41.000   3.2449   40.065   3.2484  1258.60   50.147  1244.06   50.787 14.54382 71.37231 
1 1 1    4   31    3 o  704.767   29.778   12.841   1.0781   12.444   1.5401   13.224   1.5096  693.966   43.165  715.569   41.034 -21.60321 59.55649 
1 1 1    4   31    5 o  1258.59   33.324   41.161   2.0845   40.243   3.3958   41.717   2.6406  1246.22   53.000  1270.96   40.410 -24.73938 66.64868 
1 1 1    4   31    7 o  1284.45   35.366   42.717   2.3268   42.843   3.4435   42.610   3.1565  1285.80   52.090  1283.10   47.849 2.698242 70.73124 
1 1 1    4   31    9 o  608.195   47.908   9.3636   1.4737   11.288   2.3571   8.1287   1.8883  657.757   69.702  558.632   65.745 99.12469 95.81673 
1 1 1    4   31   11 o  886.494   38.417   20.699   1.6952   21.750   2.1761   19.075   2.7036  916.725   46.172  856.264   61.415 60.46063 76.83459 
1 1 1    4   31   13 o  400.254   33.829   4.1516   0.6960   4.2768   0.9886   4.0285   0.9799  406.272   47.330  394.236   48.347 12.03571 67.65767 
1 1 1    4   31   15 o  974.456   31.842   24.616   1.5949   24.252   2.2693   24.971   2.2420  967.236   45.634  981.676   44.421 -14.43970 63.68478 
1 1 1    4   31   17 o  304.783   47.957   2.5550   0.6628   2.6432   0.7665   2.2937   1.3198  319.044   46.730  290.522   83.761 28.52216 95.91447 
1 1 1    4   31   19 o  676.604   36.179   11.869   1.2187   12.190   2.0004   11.679   1.5369  682.730   56.990  670.478   44.585 12.25128 72.35749 
1 1 1    4   31   21 o  630.450   31.372   10.353   1.0155   10.785   1.4230   9.9045   1.4498  644.110   42.971  616.790   45.719 27.32062 62.74311 
1 1 1    4   31   23 o  432.757   31.292   4.8867   0.6927   4.2798   0.9697   5.5191   0.9898  404.967   46.575  460.548   41.804 -55.58066 62.58403 
1 1 1    4   31   25 o  450.968   31.929   5.3068   0.7397   5.0253   1.0267   5.6106   1.0665  438.486   45.545  463.450   44.761 -24.96472 63.85840 
1 1 1    4   31   27 o  1061.08   37.959   29.377   1.9411   30.727   3.4278   28.740   2.3552  1074.12   62.072  1048.04   43.709 26.08777 75.91706 
1 1 1    4   31   29 o  776.227   37.493   16.493   1.3994   17.696   1.7409   14.296   2.3528  822.141   41.187  730.312   62.662 91.82947 74.98569 
1 1 1    4   31   31 o  446.567   32.591   5.3480   0.7301   6.6161   1.0282   4.0579   1.0370  502.326   39.811  390.807   51.612 111.5188 65.18225 
1 1 1    4   31   33 o  986.502   37.408   26.212   1.7985   25.424   3.0426   26.636   2.2297  968.590   61.098  1004.41   43.179 -35.82373 74.81596 
1 1 1    4   31   35 o  592.584   31.622   9.3402   0.9537   7.7378   1.3276   11.049   1.3710  538.551   47.950  646.618   41.239 -108.0674 63.24416 
1 1 1    4   31   37 o  150.272   34.789   0.5765   0.3158   0.4063   0.4419   0.7542   0.4514  134.417   49.104  166.126   49.294 -31.70889 69.57832 
1 1 1    4   31   39 o  459.864   32.797   5.7210   0.7673   6.4844   1.0695   4.9115   1.1014  493.418   42.160  426.311   50.252 67.10669 65.59464 
1 1 1    4   31   41 o  288.187   50.754   2.3835   0.7480   3.1654   1.1721   1.8463   0.9716  326.921   71.705  249.452   71.849 77.46893 101.5082 
1 1 1    4   31   43 o  396.770   52.568   5.0457   1.0263   7.4170   1.4193   2.4472   1.4857  517.631   53.331  275.908   90.605 241.7234 105.1359 
1 1 1    4   31   45 f  294.581   37.864   2.4841   0.5547   2.0017   0.7834   2.9693   0.7856  260.353   59.790  328.809   46.473 -68.45581 75.72720 
1 1 1    4   31   47 o  215.155   38.190   1.3666   0.4219   1.3985   0.5939   1.3341   0.5994  217.953   53.416  212.357   54.595 5.596436 76.37979 
1 1 1    4   31   49 o  555.059   33.379   8.7175   0.9513   9.2130   1.3478   8.2256   1.3428  572.256   45.811  537.863   48.558 34.39325 66.75723 
1 1 1    4   32    0 o  420.093   85.924   5.1058   1.6408   5.1058   1.6408   0.0000   0.0000  420.093   85.924  420.093   85.924 -0.000000 0.000000 
1 1 1    4   32    2 o  1429.16   49.835   53.205   3.6582   55.690   5.3160   50.970   5.0419  1460.70   70.787  1397.61   70.168 63.08313 99.67094 
1 1 1    4   32    4 o  537.200   43.605   7.4605   1.1744   7.3056   1.4959   7.7093   1.8959  530.632   54.834  543.768   67.816 -13.13605 87.21072 
1 1 1    4   32    6 f  1530.38   41.649   61.220   3.2059   62.672   4.1549   59.083   5.0399  1554.78   51.978  1505.99   65.092 48.78943 83.29887 
1 1 1    4   32    8 o  1685.66   37.153   74.400   2.9588   75.503   3.5592   71.932   5.3236  1709.17   40.504  1662.15   62.296 47.02136 74.30614 
1 1 1    4   32   10 o  423.752   34.512   4.6680   0.7498   4.3975   1.0787   4.9209   1.0431  411.680   50.964  435.825   46.551 -24.14532 69.02405 
1 1 1    4   32   12 o  804.208   33.076   16.807   1.3642   15.629   1.9436   17.951   1.9153  776.081   48.710  832.335   44.758 -56.25433 66.15112 
1 1 1    4   32   14 o  408.456   34.277   4.3437   0.7139   5.0632   1.0228   3.6602   0.9969  441.807   45.028  375.105   51.694 66.70166 68.55495 
1 1 1    4   32   16 f  1096.63   43.098   31.713   2.1803   32.006   2.5774   30.978   4.0885  1110.13   45.159  1083.13   73.420 26.99292 86.19651 
1 1 1    4   32   18 o  1236.62   37.326   40.658   2.2690   37.297   3.7193   42.650   2.8635  1192.07   60.687  1281.17   43.473 -89.10742 74.65107 
1 1 1    4   32   20 o  705.912   31.872   13.082   1.1436   15.224   1.6106   10.905   1.6240  765.450   40.927  646.375   48.870 119.0744 63.74410 
1 1 1    4   32   22 o  604.628   31.292   9.5423   0.9716   9.8503   1.3574   9.2186   1.3914  614.895   42.938  594.361   45.533 20.53424 62.58468 
1 1 1    4   32   24 o  1051.00   30.662   28.814   1.6559   27.593   2.3040   30.119   2.3817  1027.90   43.597  1074.11   43.128 -46.20825 61.32494 
1 1 1    4   32   26 o  1203.52   39.630   39.074   2.2644   36.386   3.9845   40.356   2.7520  1165.16   66.515  1241.89   43.102 -76.73682 79.25935 
1 1 1    4   32   28 o  133.883   33.679   0.4111   0.2959   0.5249   0.3827   0.2422   0.4664  142.815   45.922  124.952   49.278 17.86314 67.35806 
1 1 1    4   32   30 o  383.361   31.974   3.8797   0.6295   4.0841   0.8893   3.6744   0.8911  393.765   43.929  372.957   46.472 20.80762 63.94813 
1 1 1    4   32   32 o  115.999   33.090   0.1565   0.2906   0.2727   0.4995   0.0970   0.3572  129.509   51.020  102.490   42.152 27.01936 66.17985 
1 1 1    4   32   34 o  492.048   32.865   6.5143   0.8129   8.1157   1.1576   4.9562   1.1418  554.380   40.613  429.717   51.682 124.6633 65.73052 
1 1 1    4   32   36 o  587.127   31.806   9.1744   0.9590   8.5889   1.3301   9.8083   1.3839  567.359   45.600  606.895   44.352 -39.53613 63.61181 
1 1 1    4   32   38 o  416.654   32.777   4.6684   0.6999   5.0255   0.9827   4.3007   0.9970  433.701   44.070  399.606   48.529 34.09473 65.55373 
1 1 1    4   32   40 o  733.998   44.633   15.140   1.6810   14.667   2.4255   15.578   2.3317  720.600   65.470  747.395   60.681 -26.79462 89.26685 
1 1 1    4   32   42 o  920.407   40.924   23.462   1.7755   23.065   2.1243   24.382   3.2336  922.825   44.775  917.988   68.515 4.836975 81.84786 
1 1 1    4   32   44 o  135.322   33.382   0.4445   0.3042   0.1424   0.4605   0.6785   0.4052  114.842   47.603  155.803   46.814 -40.96113 66.76492 
1 1 1    4   32   46 o  383.078   35.009   4.1058   0.6829   3.4256   0.9441   4.8521   0.9889  347.650   52.821  418.505   45.961 -70.85440 70.01729 
1 1 1    4   32   48 o  398.048   35.516   4.4926   0.7116   5.7553   1.0500   3.4200   0.9677  453.371   45.048  342.726   54.920 110.6449 71.03197 
1 1 1    4   33    1 o  165.738   41.483   0.5019   0.4780   0.0000   0.6631   1.0449   0.6897  131.342   55.933  200.133   61.278 -68.79088 82.96654 
1 1 1    4   33    3 o  1090.04   36.349   30.871   2.0338   29.614   2.9187   32.057   2.8356  1068.10   53.151  1111.97   49.599 -43.87463 72.69871 
1 1 1    4   33    5 o  1385.84   36.089   49.811   2.5659   50.195   3.7592   49.476   3.5109  1390.44   52.586  1381.24   49.440 9.202881 72.17781 
1 1 1    4   33    7 o  1900.01   31.754   93.508   3.0688   93.464   4.0555   93.565   4.6942  1900.56   41.504  1899.46   48.068 1.090698 63.50732 
1 1 1    4   33    9 o  2265.66   30.790  131.628   3.5593  122.658   4.6965  143.732   5.4556  2176.52   41.970  2354.80   45.062 -178.2808 61.58039 
1 1 1    4   33   11 o  652.779   38.833   11.096   1.2746   11.073   1.6397   11.131   2.0262  652.842   48.851  652.716   60.378 0.1259155 77.66591 
1 1 1    4   33   13 o  739.881   38.125   14.368   1.4138   14.722   1.8214   13.832   2.2425  752.651   47.071  727.111   59.987 25.53973 76.25055 
1 1 1    4   33   15 o  846.580   47.797   18.712   2.0435   17.999   2.6317   19.795   3.2431  828.146   61.810  865.013   72.923 -36.86737 95.59409 
1 1 1    4   33   17 o  480.418   37.979   5.9608   0.9162   6.3891   1.4835   5.6967   1.1649  493.423   58.481  467.413   48.474 26.00955 75.95850 
1 1 1    4   33   19 o  853.124   31.624   18.964   1.3858   17.926   1.9460   20.032   1.9740  829.201   45.648  877.047   43.779 -47.84631 63.24792 
1 1 1    4   33   21 o  1381.39   31.077   49.764   2.2067   48.451   3.0901   51.130   3.1522  1362.73   44.106  1400.05   43.792 -37.31824 62.15388 
1 1 1    4   33   23 o  447.084   33.084   5.3007   0.7507   5.9202   1.0277   4.5920   1.0991  476.256   41.972  417.911   51.153 58.34418 66.16842 
1 1 1    4   33   25 o  921.263   39.748   22.281   1.7558   23.133   3.1234   21.887   2.1230  929.046   65.392  913.480   45.204 15.56592 79.49557 
1 1 1    4   33   27 o  552.996   35.874   7.7713   0.9892   6.8656   1.2307   9.4243   1.6626  510.434   46.898  595.558   54.299 -85.12408 71.74810 
1 1 1    4   33   29 o  1155.69   30.931   35.211   1.8365   36.518   2.5882   33.886   2.6063  1177.94   42.737  1133.45   44.726 44.48901 61.86203 
1 1 1    4   33   31 o  231.780   48.555   1.5337   0.6396   1.9086   0.8424   1.0232   0.9829  259.911   63.570  203.649   73.411 56.26208 97.10941 
1 1 1    4   33   33 o  369.873   33.131   3.6604   0.6271   3.3734   0.9043   3.9263   0.8704  355.079   49.534  384.667   44.013 -29.58768 66.26252 
1 1 1    4   33   35 o  171.983   35.708   0.7559   0.3641   0.3182   0.4998   1.2511   0.5315  132.083   51.324  211.883   49.661 -79.79953 71.41632 
1 1 1    4   33   37 o  727.170   31.532   14.138   1.1786   13.998   1.6474   14.285   1.6869  723.676   44.277  730.664   44.906 -6.988281 63.06383 
1 1 1    4   33   39 o  308.112   48.986   2.8253   0.7843   1.9373   1.1363   3.6334   1.0840  254.112   78.795  362.113   58.224 -108.0015 97.97277 
1 1 1    4   33   41 o  860.148   32.087   20.049   1.4186   19.437   1.9816   20.691   2.0317  846.552   45.528  873.745   45.227 -27.19269 64.17390 
1 1 1    4   33   43 o  411.218   42.479   4.9348   0.8223   4.6178   1.3800   5.1094   1.0240  390.583   71.349  431.853   46.121 -41.27005 84.95775 
1 1 1    4   33   45 o  424.056   35.044   5.0598   0.7584   5.5961   1.0589   4.4950   1.0866  449.789   45.792  398.323   53.060 51.46661 70.08788 
1 1 1    4   33   47 o  212.733   35.918   1.3636   0.4347   0.5521   0.6333   2.0865   0.5977  151.003   58.019  274.463   42.357 -123.4602 71.83543 
1 1 1    4   34    0 o  1211.38   51.979   38.757   3.1874   34.307   4.5526   43.035   4.4640  1140.26   78.512  1282.50   68.141 0.000000 0.000000 
1 1 1    4   34    2 o  939.266   36.107   22.925   1.7434   22.584   2.4714   23.263   2.4597  932.215   51.565  946.316   50.556 -14.10089 72.21386 
1 1 1    4   34    4 o  494.381   34.171   6.2448   0.8477   6.7943   1.3797   5.9117   1.0743  511.139   52.504  477.624   43.750 33.51453 68.34225 
1 1 1    4   34    6 o  481.078   34.224   5.8781   0.8254   6.5976   1.3538   5.4524   1.0414  503.579   52.289  458.577   44.169 45.00189 68.44738 
1 1 1    4   34    8 o  1066.88   32.903   28.802   1.7508   32.612   2.9171   26.657   2.1889  1119.62   50.677  1014.14   41.981 105.4832 65.80699 
1 1 1    4   34   10 o  1390.47   35.545   50.219   2.5281   51.423   3.7898   49.254   3.3934  1404.67   52.477  1376.27   47.958 28.39673 71.09025 
1 1 1    4   34   12 o  420.333   81.022   4.8478   1.6874   4.8478   1.6874   0.0000   0.0000  420.333   81.022  ?   ?       ?      ? 
1 1 1    4   34   14 o  333.403   68.375   3.0372   1.1327   3.0372   1.1327   0.0000   0.0000  333.403   68.375  ?   ?       ?      ? 
1 1 1    4   34   16 f  928.172   37.222   22.550   1.7370   22.560   2.2362   22.534   2.7582  930.183   46.759  926.160   57.926 4.023560 74.44392 
1 1 1    4   34   18 o  1166.11   36.569   35.636   2.1292   35.648   2.7086   35.617   3.4448  1169.03   45.066  1163.20   57.603 5.833618 73.13721 
1 1 1    4   34   20 o  385.394   37.751   3.8150   0.7337   3.4681   0.9347   4.3719   1.1843  363.639   49.996  407.148   56.577 -43.50949 75.50195 
1 1 1    4   34   22 o  1479.17   36.186   57.013   2.6612   55.374   3.3407   59.861   4.4022  1454.47   44.675  1503.87   56.937 -49.39685 72.37165 
1 1 1    4   34   24 o  278.514   45.325   1.9942   0.6103   2.7680   1.0673   1.6184   0.7438  315.220   67.868  241.809   60.095 73.41125 90.65035 
1 1 1    4   34   26 o  632.946   38.358   10.936   1.1833   11.682   1.4901   9.6613   1.9471  666.764   43.468  599.129   63.213 67.63495 76.71566 
1 1 1    4   34   28 o  416.512   34.311   4.6707   0.7130   5.9784   1.0140   3.3921   1.0027  476.829   41.363  356.195   54.753 120.6338 68.62103 
1 1 1    4   34   30 o  244.300   50.415   1.7393   0.6988   2.1817   0.9028   1.0784   1.1036  277.667   64.480  210.934   77.518 66.73322 100.8305 
1 1 1    4   34   32 o  325.704   33.840   2.8203   0.5647   2.5159   0.7743   3.1661   0.8254  306.689   49.107  344.720   46.573 -38.03082 67.67975 
1 1 1    4   34   34 o  704.048   31.900   13.217   1.1536   12.460   1.6170   14.002   1.6462  682.990   46.049  725.106   44.159 -42.11597 63.80030 
1 1 1    4   34   36 o  455.308   32.314   5.5569   0.7562   5.4501   1.0739   5.6620   1.0651  450.701   46.346  459.915   45.044 -9.214508 64.62844 
1 1 1    4   34   38 o  559.574   48.163   8.9532   1.3748   7.9459   1.9706   9.9084   1.9189  524.683   73.053  594.464   62.785 -69.78088 96.32598 
1 1 1    4   34   40 f  593.277   33.106   9.5994   1.0065   10.238   1.4059   8.9277   1.4415  615.190   44.452  571.365   49.073 43.82489 66.21246 
1 1 1    4   34   42 o  397.334   40.409   4.2065   0.7985   5.5983   1.3562   3.4679   0.9880  443.163   59.523  351.504   54.669 91.65894 80.81890 
1 1 1    4   34   44 o  438.020   34.804   5.3692   0.7753   4.4646   1.0816   6.3254   1.1120  397.220   52.961  478.819   45.170 -81.59921 69.60748 
1 1 1    4   34   46 o  133.221   35.455   0.4148   0.3307   0.3438   0.4561   0.4937   0.4803  126.760   49.091  139.682   51.170 -12.92204 70.91061 
1 1 1    4   35    1 o  2124.29   36.099  117.529   3.9383  111.055   5.5569  124.062   5.5824  2064.80   52.347  2183.77   49.722 -118.9700 72.19707 
1 1 1    4   35    3 o  338.573   35.911   2.9576   0.6183   2.8141   0.8086   3.1597   0.9594  329.014   47.803  348.132   53.602 -19.11810 71.82121 
1 1 1    4   35    5 o  1301.00   29.614   43.893   1.9806   44.230   2.8267   43.569   2.7759  1305.84   42.104  1296.17   41.656 9.672607 59.22815 
1 1 1    4   35    7 o  850.776   29.775   18.805   1.3008   17.953   1.8545   19.629   1.8249  831.550   43.379  870.001   40.800 -38.45062 59.55090 
1 1 1    4   35    9 o  918.575   29.550   22.009   1.3867   19.316   1.9706   24.651   1.9518  862.048   44.462  975.101   38.934 -113.0533 59.09915 
1 1 1    4   35   11 o  926.736   77.178   22.868   3.6772   0.0000   0.0000   22.868   3.6772  ?   ?   926.736   77.178      ?      ? 
1 1 1    4   35   13 o  683.554   47.083   12.184   1.6546   0.0000   0.0000   12.184   1.6546  ?   ?   683.554   47.083      ?      ? 
1 1 1    4   35   15 o  1306.24   40.755   41.031   2.5153   55.044   4.8314   35.821   2.9461  1441.88   65.174  1170.60   48.952 271.2732 81.51061 
1 1 1    4   35   17 o  1476.42   43.944   58.659   2.9767   55.506   5.5721   59.918   3.5213  1438.09   75.364  1514.75   45.216 -76.66174 87.88754 
1 1 1    4   35   19 o  1165.82   47.232   36.737   2.7459   34.170   4.3587   38.425   3.5357  1125.78   75.307  1205.85   57.031 -80.07056 94.46477 
1 1 1    4   35   21 o  1607.35   37.129   68.980   2.9495   71.346   3.7337   65.053   4.8104  1650.65   43.997  1564.06   59.821 86.58533 74.25810 
1 1 1    4   35   23 o  761.171   46.485   15.755   1.7842   14.585   2.7393   16.617   2.3514  732.544   72.733  789.799   57.907 -57.25409 92.96924 
1 1 1    4   35   25 o  309.114   42.672   2.7398   0.6305   3.0617   0.7911   2.1793   1.0440  340.898   45.140  277.331   72.430 63.56750 85.34454 
1 1 1    4   35   27 o  706.824   37.696   13.555   1.3095   14.150   1.6523   12.551   2.1474  732.296   43.886  681.351   61.303 50.94501 75.39246 
1 1 1    4   35   29 o  354.301   69.806   3.5656   1.2263   3.5656   1.2263   0.0000   0.0000  354.301   69.806  ?   ?       ?      ? 
1 1 1    4   35   31 o  513.429   32.895   7.0578   0.8634   7.7733   1.2093   6.3138   1.2331  541.257   43.458  485.601   49.393 55.65582 65.78951 
1 1 1    4   35   33 o  165.458   37.687   0.7306   0.3646   0.7610   0.5086   0.6985   0.5230  167.916   52.825  163.000   53.766 4.916122 75.37415 
1 1 1    4   35   35 o  552.371   33.125   8.2270   0.9275   6.6068   1.2934   9.9418   1.3306  493.997   50.925  610.744   42.377 -116.7471 66.25100 
1 1 1    4   35   37 o  1182.39   42.907   40.884   2.3573   33.584   4.0941   44.505   2.8832  1076.92   73.944  1287.85   43.546 -210.9266 85.81301 
1 1 1    4   35   39 o  455.663   33.785   5.6592   0.7898   5.6361   1.0818   5.6856   1.1556  455.517   46.193  455.808   49.313 -0.2917175 67.56902 
1 1 1    4   35   41 o  622.968   51.211   11.806   1.5877   13.463   2.1314   9.7399   2.3798  686.316   60.403  559.620   82.713 126.6959 102.4211 
1 1 1    4   35   43 o  234.495   38.122   1.6764   0.4647   2.0901   0.6077   1.0940   0.7210  276.260   42.787  192.729   63.107 83.53050 76.24492 
1 1 1    4   35   45 f  218.715   39.736   1.4430   0.4502   1.5570   0.6349   1.3278   0.6384  228.125   54.817  209.306   57.539 18.81891 79.47145 
1 1 1    4   36    0 o  659.268   65.748   12.321   1.8528   17.911   2.7118   7.4260   2.5375  822.347   65.077  496.188  114.264 0.000000 0.000000 
1 1 1    4   36    2 o  431.504   37.843   4.8640   0.8395   4.9421   1.1924   4.7873   1.1821  434.961   53.320  428.047   53.715 6.913635 75.68547 
1 1 1    4   36    4 o  1325.08   29.885   45.613   2.0355   45.025   2.8959   46.187   2.8616  1316.47   42.787  1333.69   41.733 -17.22070 59.76910 
1 1 1    4   36    6 o  653.807   30.482   11.145   1.0213   10.307   1.4620   11.944   1.4272  629.381   45.181  678.232   40.930 -48.85193 60.96424 
1 1 1    4   36    8 o  919.338   35.623   22.644   1.6053   24.252   2.0333   19.982   2.6157  966.253   40.930  872.423   58.316 93.82959 71.24654 
1 1 1    4   36   10 o  786.251   38.068   16.471   1.5112   18.479   2.0450   14.055   2.2430  841.640   47.261  730.862   59.692 110.7783 76.13665 
1 1 1    4   36   12 o  741.143   41.811   15.103   1.4908   12.408   2.4614   16.665   1.8736  682.987   70.098  799.299   45.593 -116.3113 83.62137 
1 1 1    4   36   14 o  201.783   34.668   1.0158   0.4253   0.1286   0.5950   1.9425   0.6081  130.627   54.125  272.939   43.334 -142.3120 69.33504 
1 1 1    4   36   16 o  703.343   33.678   12.990   1.2046   15.474   1.7310   10.657   1.6774  769.749   43.739  636.937   51.222 132.8120 67.35586 
1 1 1    4   36   18 o  292.133   48.091   2.0783   0.6419   3.1283   1.2796   1.7252   0.7420  333.941   76.214  250.324   58.674 83.61671 96.18279 
1 1 1    4   36   20 f  299.814   49.928   2.6110   0.6884   2.0825   1.4054   2.7778   0.7896  274.583   87.969  325.044   47.252 -50.46088 99.85604 
1 1 1    4   36   22 o  1200.16   46.387   38.960   2.7999   38.188   4.4101   39.481   3.6239  1184.03   72.446  1216.29   57.952 -32.26147 92.77307 
1 1 1    4   36   24 o  255.313   47.541   1.8513   0.6078   1.6984   1.0800   1.9222   0.7354  246.967   76.857  263.660   55.979 -16.69385 95.08247 
1 1 1    4   36   26 o  434.494   46.713   5.4002   0.9123   4.7367   1.6330   5.7012   1.1000  405.006   81.253  463.981   46.114 -58.97531 93.42685 
1 1 1    4   36   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   36   30 o  547.216   40.240   8.3590   1.0698   8.9783   1.3474   7.3026   1.7597  580.833   45.120  513.598   66.642 67.23468 80.47989 
1 1 1    4   36   32 o  290.996   42.083   2.2973   0.5904   2.0215   0.7356   2.7969   0.9899  268.555   55.124  313.437   63.602 -44.88138 84.16615 
1 1 1    4   36   34 o  192.518   41.412   1.0480   0.4473   1.1666   0.5745   0.8655   0.7128  203.322   54.037  181.714   62.769 21.60799 82.82499 
1 1 1    4   36   36 o  153.593   41.997   0.4772   0.4744   0.3480   0.6844   0.5966   0.6582  146.824   59.095  160.362   59.691 -13.53787 83.99493 
1 1 1    4   36   38 o  505.150   38.995   6.3964   0.9570   4.3435   1.1730   10.481   1.6547  393.790   57.940  616.510   52.206 -222.7194 77.99001 
1 1 1    4   36   40 o  205.551   43.317   0.8180   0.5541   0.0000   0.6806   2.4263   0.9543  127.313   55.455  283.789   66.559 -156.4762 86.63351 
1 1 1    4   36   42 o  213.057   41.830   1.3479   0.4707   1.2911   0.6209   1.4246   0.7219  208.775   56.479  217.338   61.717 -8.562363 83.65916 
1 1 1    4   36   44 o  296.189   37.226   2.5744   0.5411   1.8047   0.7543   3.3906   0.7767  242.617   60.640  349.760   43.195 -107.1430 74.45150 
1 1 1    4   37    1 o  1546.27   45.378   62.854   3.3792   62.390   4.1115   63.818   5.9322  1544.54   51.776  1548.00   74.538 -3.465332 90.75612 
1 1 1    4   37    3 o  532.671   48.893   7.7670   1.2369   8.2399   1.5167   6.8278   2.1375  561.095   52.577  504.247   82.449 56.84796 97.78647 
1 1 1    4   37    5 o  925.522   37.879   22.460   1.7999   22.761   2.4906   22.131   2.6039  932.539   51.948  918.506   55.142 14.03326 75.75784 
1 1 1    4   37    7 o  842.102   44.430   18.663   1.8751   19.038   3.0179   18.428   2.3932  846.497   69.343  837.706   55.567 8.791687 88.86054 
1 1 1    4   37    9 o  661.834   44.842   12.798   1.2853   9.1694   2.4095   14.242   1.5196  583.646   80.299  740.023   39.940 -156.3773 89.68320 
1 1 1    4   37   11 o  1098.99   32.292   31.849   1.7814   30.057   2.7968   33.073   2.3108  1070.64   50.810  1127.33   39.869 -56.69312 64.58436 
1 1 1    4   37   13 o  1033.31   34.273   28.007   1.8191   26.839   2.5857   29.152   2.5596  1011.44   49.725  1055.18   47.182 -43.74817 68.54681 
1 1 1    4   37   15 o  875.369   33.833   20.115   1.5218   19.686   2.1729   20.528   2.1320  865.844   48.812  884.894   46.862 -19.04907 67.66581 
1 1 1    4   37   17 o  301.156   39.608   2.4990   0.5901   1.8206   0.8445   3.1463   0.8249  256.103   64.247  346.209   46.342 -90.10593 79.21600 
1 1 1    4   37   19 o  931.060   45.701   23.774   1.9381   22.163   3.6440   24.410   2.2887  898.743   78.862  963.376   46.208 -64.63312 91.40279 
1 1 1    4   37   21 o  331.634   53.354   3.2161   0.8791   2.5411   1.4811   3.5832   1.0923  297.226   89.540  366.041   58.044 -68.81497 106.7077 
1 1 1    4   37   23 o  684.718   34.378   12.525   1.1792   16.110   1.7005   9.2041   1.6366  782.412   42.273  587.024   54.227 195.3887 68.75687 
1 1 1    4   37   25 o  255.122   40.840   1.8196   0.5247   2.0822   0.7476   1.5647   0.7365  274.202   54.948  236.042   60.434 38.16028 81.67961 
1 1 1    4   37   27 o  857.970   76.455   20.714   3.3725   0.0000   0.0000   20.714   3.3725  ?   ?   857.970   76.455      ?      ? 
1 1 1    4   37   29 o  386.780   50.940   4.5870   0.8738   3.4995   1.6095   5.0415   1.0405  338.940   90.614  434.620   46.567 -95.68030 101.8792 
1 1 1    4   37   31 o  156.616   39.040   0.6234   0.3997   0.0000   0.7987   0.8316   0.4616  139.765   60.475  173.467   49.388 -33.70210 78.07912 
1 1 1    4   37   33 o  157.614   39.562   0.5994   0.3963   0.7133   0.6248   0.5227   0.5126  167.521   58.715  147.706   53.040 19.81424 79.12466 
1 1 1    4   37   35 o  204.829   42.119   1.2732   0.4728   0.7250   0.8893   1.4891   0.5582  179.182   68.777  230.477   48.639 -51.29482 84.23788 
1 1 1    4   37   37 o  651.733   46.912   12.165   1.5651   12.739   2.3421   11.703   2.1038  663.042   68.706  640.423   63.894 22.61969 93.82439 
1 1 1    4   37   39 o  120.487   52.341   0.0000   0.6031   0.0000   0.6031   0.0000   0.0000  120.487   52.341  ?   ?       ?      ? 
1 1 1    4   37   41 o  302.937   46.106   2.7922   0.6758   2.8702   0.8316   2.6405   1.1597  319.858   50.568  286.016   77.111 33.84210 92.21297 
1 1 1    4   37   43 o  298.443   46.876   2.5824   0.6604   2.2131   0.7919   3.4262   1.1971  270.761   58.586  326.124   73.192 -55.36343 93.75140 
1 1 1    4   38    0 o  169.979   86.695   1.1200   0.9541   1.1200   0.9541   0.0000   0.0000  169.979   86.695  169.979   86.695 0.000000 0.000000 
1 1 1    4   38    2 o  828.335   55.824   18.758   2.3219   22.763   3.2446   14.555   3.3242  925.139   68.216  731.530   88.385 193.6091 111.6488 
1 1 1    4   38    4 o  596.063   54.547   9.5032   1.6658   8.4725   2.2825   10.678   2.4366  560.959   79.142  631.168   75.088 -70.20959 109.0947 
1 1 1    4   38    6 o  559.167   42.413   8.3308   1.0737   8.1116   2.0687   8.4116   1.2561  550.386   73.108  567.947   43.018 -17.56104 84.82526 
1 1 1    4   38    8 o  813.745   33.667   17.508   1.3697   16.543   2.1744   18.143   1.7636  793.095   53.326  834.396   41.111 -41.30084 67.33302 
1 1 1    4   38   10 o  482.938   31.590   6.1526   0.7736   5.0101   1.0957   7.2881   1.0923  437.053   48.761  528.823   40.176 -91.76938 63.18085 
1 1 1    4   38   12 o  1159.21   31.919   35.448   1.8749   36.970   2.4846   33.436   2.8573  1190.33   40.599  1128.08   49.266 62.25037 63.83874 
1 1 1    4   38   14 o  1205.00   33.965   38.177   2.1032   37.820   3.0119   38.518   2.9383  1199.02   48.859  1210.97   47.195 -11.94592 67.93048 
1 1 1    4   38   16 o  617.222   35.219   10.072   1.1103   8.6894   1.5560   11.506   1.5848  572.993   52.818  661.451   46.601 -88.45819 70.43742 
1 1 1    4   38   18 o  972.505   48.937   25.745   2.3579   25.282   3.8577   26.021   2.9792  958.371   78.293  986.639   58.732 -28.26794 97.87355 
1 1 1    4   38   20 o  1078.43   37.574   30.698   2.0335   29.759   2.5912   32.203   3.2808  1060.88   47.508  1095.98   58.224 -35.09839 75.14722 
1 1 1    4   38   22 o  1444.32   32.763   55.262   2.4296   58.586   3.4425   51.964   3.4296  1488.83   44.974  1399.81   47.654 89.01904 65.52553 
1 1 1    4   38   24 o  223.309   39.831   1.3848   0.4579   1.2118   0.6266   1.5831   0.6709  208.527   56.873  238.092   55.781 -29.56477 79.66225 
1 1 1    4   38   26 o  1502.62   49.216   63.145   3.6893   64.751   4.7344   60.661   5.8866  1541.93   59.722  1463.31   78.245 78.62012 98.43282 
1 1 1    4   38   28 o  365.884   38.895   3.7452   0.6797   2.4485   0.9476   5.1199   0.9756  292.814   64.670  438.953   43.232 -146.1388 77.78964 
1 1 1    4   38   30 o  404.118   34.703   4.3986   0.7203   4.2534   1.0284   4.5385   1.0093  397.082   50.374  411.155   47.747 -14.07339 69.40681 
1 1 1    4   38   32 o  303.052   37.432   2.5331   0.5711   2.5559   0.8242   2.5121   0.7920  301.740   55.164  304.365   50.611 -2.625000 74.86303 
1 1 1    4   38   34 o  791.168   46.392   17.563   1.8765   19.792   2.8392   15.834   2.5005  834.618   66.167  747.718   65.046 86.90009 92.78486 
1 1 1    4   38   36 f  267.187   43.850   1.7362   0.5745   3.4124   1.0640   1.0463   0.6826  342.552   62.726  191.823   61.291 150.7290 87.69918 
1 1 1    4   38   38 o  306.094   80.379   2.9941   1.2811   0.0000   0.0000   2.9941   1.2811  ?   ?   306.094   80.379      ?      ? 
1 1 1    4   38   40 o  458.822   56.463   8.0208   1.1388   3.4939   1.9474   10.373   1.4038  303.859  103.796  613.786   44.485 -309.9268 112.9269 
1 1 1    4   38   42 o  320.021   50.774   3.4061   0.7975   2.7734   1.3767   3.7257   0.9783  279.845   86.725  360.197   52.828 -80.35184 101.5479 
1 1 1    4   39    1 o  502.999   38.461   6.7133   0.9809   8.0205   1.3941   5.4317   1.3803  552.992   49.035  453.006   59.266 99.98572 76.92120 
1 1 1    4   39    3 o  1209.81   36.889   38.497   2.2944   38.843   3.2577   38.157   3.2320  1215.21   52.143  1204.41   52.195 10.80273 73.77771 
1 1 1    4   39    5 o  817.687   30.632   17.466   1.2876   17.731   1.8371   17.210   1.8053  823.760   43.377  811.614   43.264 12.14612 61.26476 
1 1 1    4   39    7 o  935.336   30.257   22.846   1.4545   23.466   2.0913   22.265   2.0242  947.575   42.928  923.098   42.652 24.47699 60.51458 
1 1 1    4   39    9 o  1066.58   30.090   29.736   1.6496   30.124   2.3629   29.367   2.3041  1073.25   42.823  1059.91   42.282 13.34143 60.17930 
1 1 1    4   39   11 o  891.548   29.828   20.786   1.3668   21.511   1.9542   20.092   1.9124  906.854   41.913  876.241   42.451 30.61279 59.65562 
1 1 1    4   39   13 o  1140.87   34.900   34.360   2.0449   33.157   2.9225   35.513   2.8622  1120.48   50.733  1161.25   47.941 -40.77051 69.80088 
1 1 1    4   39   15 o  429.253   48.451   4.8358   0.9459   5.5998   1.7960   4.5425   1.1127  444.553   81.588  413.953   52.283 30.59933 96.90285 
1 1 1    4   39   17 o  559.859   54.762   9.1432   1.4321   7.1661   2.2952   10.404   1.8326  496.007   93.431  623.711   57.150 -127.7045 109.5239 
1 1 1    4   39   19 o  939.606   33.592   23.379   1.6210   24.834   2.3124   21.973   2.2729  968.979   46.418  910.232   48.569 58.74677 67.18317 
1 1 1    4   39   21 o  234.049   39.448   1.5750   0.5004   0.8148   0.7568   2.1653   0.6670  182.143   64.550  285.955   45.366 -103.8120 78.89687 
1 1 1    4   39   23 f  564.332   49.453   8.9318   1.2495   9.0711   1.4603   8.5509   2.4143  583.142   48.708  545.523   86.081 37.61914 98.90624 
1 1 1    4   39   25 o  837.373   38.586   18.775   1.6120   19.669   2.6382   18.242   2.0364  848.494   60.476  826.253   47.938 22.24078 77.17146 
1 1 1    4   39   27 o  248.791   40.218   1.7392   0.5043   2.0016   0.7315   1.5018   0.6960  267.364   55.053  230.218   58.643 37.14574 80.43508 
1 1 1    4   39   29 f  963.114   33.330   24.906   1.6475   23.097   2.3137   26.766   2.3464  926.364   48.580  999.864   45.645 -73.50043 66.65989 
1 1 1    4   39   31 o  484.858   39.264   6.6889   0.8752   9.7272   1.2601   3.8565   1.2166  604.344   40.555  365.371   67.244 238.9734 78.52718 
1 1 1    4   39   33 o  421.763   52.268   5.3653   1.0765   4.2560   1.5970   6.2893   1.4575  369.265   85.760  474.261   59.775 -104.9957 104.5368 
1 1 1    4   39   35 o  557.875   33.782   8.5041   0.9687   8.2726   1.3550   8.7461   1.3853  550.011   47.920  565.739   47.629 -15.72699 67.56310 
1 1 1    4   39   37 o  497.036   49.989   7.2400   1.2672   6.2605   1.6797   8.5339   1.9306  458.006   71.334  536.067   70.050 -78.06140 99.97756 
1 1 1    4   39   39 o  676.261   35.500   12.925   1.2153   15.283   1.7162   10.554   1.7211  744.359   44.846  608.162   55.044 136.1969 70.99973 
1 1 1    4   39   41 o  187.909   38.935   1.0055   0.4250   0.5446   0.5781   1.5477   0.6271  148.158   55.786  227.660   54.330 -79.50148 77.87046 
1 1 1    4   40    0 o  599.608   63.005   10.314   1.7230   7.9275   2.4558   12.627   2.4179  516.729  104.345  682.487   70.644 0.000000 0.000000 
1 1 1    4   40    2 o  727.681   37.661   13.993   1.4069   13.084   1.9836   14.914   1.9956  703.288   54.861  752.074   51.612 -48.78571 75.32262 
1 1 1    4   40    4 o  154.526   38.995   0.5491   0.3970   0.3190   0.6281   0.7021   0.5123  144.204   57.084  164.849   53.141 -20.64481 77.99030 
1 1 1    4   40    6 o  891.386   30.670   20.802   1.4051   21.515   2.0108   20.122   1.9644  906.389   43.150  876.382   43.597 30.00671 61.34020 
1 1 1    4   40    8 o  178.529   36.495   0.8306   0.3599   1.1377   0.5403   0.5857   0.4825  203.684   51.554  153.374   51.669 50.30981 72.98989 
1 1 1    4   40   10 o  335.825   33.375   2.9776   0.5746   2.7844   0.8234   3.1609   0.8023  324.815   49.308  346.834   44.993 -22.01923 66.75030 
1 1 1    4   40   12 o  1048.69   34.819   28.978   1.8014   29.375   3.0083   28.756   2.2493  1050.26   55.712  1047.13   41.781 3.136719 69.63847 
1 1 1    4   40   14 o  267.730   55.978   2.0732   0.8088   1.6628   1.4338   2.2647   0.9795  251.960   88.893  283.499   68.061 -31.53893 111.9566 
1 1 1    4   40   16 o  379.163   42.311   3.7927   0.7959   3.1848   1.0240   4.7199   1.2648  339.278   60.947  419.047   58.705 -79.76892 84.62173 
1 1 1    4   40   18 f  409.120   36.158   4.4797   0.7560   5.0076   1.0670   3.9476   1.0713  434.346   47.782  383.894   54.280 50.45203 72.31501 
1 1 1    4   40   20 o  168.964   41.475   0.7243   0.4642   1.0120   0.5488   0.0000   0.8707  191.353   53.627  146.575   63.283 44.77792 82.94919 
1 1 1    4   40   22 o  295.167   52.176   2.6650   0.7697   2.9722   0.9048   1.8599   1.4647  332.415   52.940  257.919   89.926 74.49567 104.3517 
1 1 1    4   40   24 o  671.336   40.781   12.648   1.3421   10.672   2.1383   13.933   1.7240  620.102   67.072  722.569   46.408 -102.4667 81.56210 
1 1 1    4   40   26 o  292.517   39.073   2.3630   0.5734   2.7580   0.8255   1.9946   0.7971  320.022   50.172  265.012   59.912 55.00977 78.14529 
1 1 1    4   40   28 o  916.930   33.693   22.618   1.5882   22.753   2.2370   22.482   2.2554  919.979   47.294  913.882   48.002 6.097168 67.38645 
1 1 1    4   40   30 o  499.059   35.017   6.7981   0.8907   7.6493   1.2468   5.9109   1.2729  533.215   45.482  464.904   53.256 68.31155 70.03456 
1 1 1    4   40   32 o  271.622   52.951   2.2651   0.7575   2.0440   1.2270   2.4013   0.9628  258.128   82.141  285.116   66.845 -26.98807 105.9026 
1 1 1    4   40   34 o  444.303   35.841   5.4648   0.7875   3.7508   1.0805   7.4073   1.1502  365.208   57.544  523.398   42.745 -158.1901 71.68256 
1 1 1    4   40   36 o  327.728   51.197   3.2795   0.7867   3.2874   0.9323   3.2600   1.4663  342.492   52.944  312.964   87.645 29.52774 102.3950 
1 1 1    4   40   38 o  378.791   40.358   4.1875   0.7308   2.7674   1.0040   5.7880   1.0658  300.059   66.797  457.523   45.311 -157.4638 80.71519 
1 1 1    4   40   40 o  647.568   36.293   11.968   1.2002   10.306   1.6612   13.783   1.7360  596.929   54.128  698.206   48.360 -101.2769 72.58525 
1 1 1    4   41    1 o  1383.00   37.333   50.658   2.6543   51.475   3.7706   49.855   3.7372  1394.20   52.604  1371.79   52.989 22.40991 74.66574 
1 1 1    4   41    3 o  286.101   44.008   2.2626   0.6319   1.7551   0.8706   2.8276   0.9186  250.775   66.459  321.427   57.708 -70.65134 88.01657 
1 1 1    4   41    5 o  401.475   37.298   4.3662   0.7454   4.7407   0.9698   3.8253   1.1654  424.757   44.407  378.194   59.938 46.56293 74.59589 
1 1 1    4   41    7 o  435.411   31.922   4.9791   0.7110   5.6869   1.0299   4.3345   0.9828  465.380   43.046  405.441   47.150 59.93900 63.84441 
1 1 1    4   41    9 o  284.815   42.568   2.4608   0.5877   1.4727   0.9978   2.9857   0.7273  232.385   74.087  337.245   41.944 -104.8596 85.13626 
1 1 1    4   41   11 o  611.357   38.663   9.9590   1.2029   10.055   1.8387   9.8869   1.5904  612.373   58.401  610.342   50.683 2.031189 77.32675 
1 1 1    4   41   13 o  442.467   37.936   4.8247   0.8180   4.0505   0.9837   6.5597   1.4725  390.741   48.967  494.193   57.956 -103.4517 75.87294 
1 1 1    4   41   15 o  695.124   35.333   12.867   1.2621   12.545   1.7960   13.181   1.7740  686.075   50.917  704.174   49.002 -18.09875 70.66664 
1 1 1    4   41   17 o  577.516   35.083   8.8813   1.0409   9.3440   1.5018   8.4534   1.4440  592.091   49.335  562.941   49.891 29.14929 70.16502 
1 1 1    4   41   19 o  561.513   34.663   8.4173   0.9988   9.1026   1.4286   7.7621   1.3970  584.487   47.542  538.539   50.456 45.94781 69.32593 
1 1 1    4   41   21 o  242.148   52.680   1.6102   0.6892   1.4559   0.8434   1.9202   1.1955  226.740   67.402  257.555   80.981 -30.81493 105.3610 
1 1 1    4   41   23 o  597.177   39.789   9.6374   1.1906   9.9727   1.9206   9.4281   1.5173  602.032   62.051  592.321   49.824 9.711548 79.57869 
1 1 1    4   41   25 o  351.001   36.535   3.3361   0.6582   3.1544   0.9363   3.5136   0.9256  340.944   53.413  361.057   49.861 -20.11340 73.06916 
1 1 1    4   41   27 f  783.929   34.187   16.577   1.3777   16.556   1.9306   16.599   1.9665  783.755   47.911  784.102   48.781 -0.3468018 68.37471 
1 1 1    4   41   29 o  106.913   32.071   0.0466   0.3057   0.0000   0.4561   0.0846   0.4119  106.773   45.950  107.054   44.753 -0.2813187 64.14214 
1 1 1    4   41   31 o  379.323   54.063   4.1471   0.9992   5.5507   1.6318   3.3052   1.2638  429.198   76.770  329.449   76.141 99.74841 108.1252 
1 1 1    4   41   33 f  356.855   36.200   3.5219   0.6613   3.1254   0.9221   3.9418   0.9490  334.994   53.539  378.716   48.738 -43.72250 72.40055 
1 1 1    4   41   35 o  261.445   44.883   2.4644   0.6635   3.1593   0.7712   0.4847   1.3016  339.855   44.138  183.035   78.166 156.8205 89.76696 
1 1 1    4   41   37 o  273.403   41.125   2.2367   0.5610   1.9097   0.7995   2.5539   0.7875  250.465   62.336  296.340   53.661 -45.87544 82.25097 
1 1 1    4   41   39 o  220.103   38.837   1.4526   0.4428   1.1590   0.6151   1.7685   0.6380  195.637   57.406  244.568   52.326 -48.93054 77.67494 
1 1 1    4   42    0 o  665.717   61.647   12.532   1.9131   15.796   2.7510   9.4762   2.6621  762.661   71.612  568.773  100.366 0.000000 0.000000 
1 1 1    4   42    2 o  898.921   37.912   21.510   1.7520   21.210   2.4754   21.811   2.4801  892.453   53.949  905.389   53.280 -12.93658 75.82383 
1 1 1    4   42    4 f  551.711   49.909   8.6351   1.2878   7.4171   2.2562   9.2237   1.5684  514.220   85.341  589.201   51.774 -74.98169 99.81765 
1 1 1    4   42    6 o  1185.75   38.036   37.246   2.3113   41.341   3.4226   33.813   3.1337  1245.56   53.447  1125.95   54.135 119.6105 76.07300 
1 1 1    4   42    8 o  282.661   46.908   2.3165   0.6976   2.9529   0.9233   1.4702   1.0648  332.570   54.000  232.752   76.716 99.81876 93.81587 
1 1 1    4   42   10 o  251.724   43.314   1.9508   0.5837   2.4939   0.7136   0.8524   1.0148  307.181   45.186  196.266   73.909 110.9154 86.62732 
1 1 1    4   42   12 o  240.107   40.259   1.5777   0.4878   1.3265   0.6453   1.9129   0.7453  218.117   56.934  262.098   56.936 -43.98180 80.51820 
1 1 1    4   42   14 o  912.089   34.367   23.006   1.5444   27.510   2.0673   17.318   2.3234  1022.53   39.324  801.646   56.374 220.8879 68.73392 
1 1 1    4   42   16 o  907.705   35.129   21.990   1.6383   23.022   2.3648   21.038   2.2717  928.233   49.554  887.177   49.806 41.05566 70.25788 
1 1 1    4   42   18 o  580.478   36.189   9.0733   1.0764   8.4650   1.5464   9.6450   1.4992  560.312   53.681  600.645   48.547 -40.33380 72.37737 
1 1 1    4   42   20 o  445.341   53.700   5.6115   1.1646   5.3787   1.4711   6.0025   1.9062  441.109   64.867  449.573   85.599 -8.463959 107.4004 
1 1 1    4   42   22 o  1145.69   34.154   35.239   2.0112   34.538   2.8555   35.930   2.8333  1133.68   48.991  1157.71   47.601 -24.03357 68.30829 
1 1 1    4   42   24 o  913.168   34.302   22.468   1.6094   23.181   2.2655   21.740   2.2867  928.717   47.447  897.618   49.552 31.09869 68.60464 
1 1 1    4   42   26 o  177.943   40.726   0.8596   0.4301   1.0231   0.6002   0.6870   0.6167  190.863   56.890  165.023   58.291 25.84013 81.45103 
1 1 1    4   42   28 o  668.990   35.835   12.238   1.2281   13.376   1.7378   11.104   1.7358  701.990   48.150  635.990   53.087 66.00055 71.67018 
1 1 1    4   42   30 o  229.930   49.991   1.2091   0.6396   2.6834   1.1847   0.6026   0.7598  294.931   77.223  164.930   63.506 130.0006 99.98159 
1 1 1    4   42   32 o  203.712   38.085   1.0935   0.4600   2.0607   0.6877   0.3100   0.6189  268.990   51.601  138.435   56.028 130.5543 76.16918 
1 1 1    4   42   34 o  179.331   42.607   0.9451   0.5080   1.2952   0.5947   0.0000   0.9770  210.285   54.541  148.377   65.474 61.90804 85.21495 
1 1 1    4   42   36 o  477.918   35.937   6.4643   0.8769   5.6218   1.2317   7.3304   1.2488  443.471   54.023  512.365   47.407 -68.89441 71.87405 
1 1 1    4   42   38 o  652.347   37.076   12.361   1.2256   14.307   1.7174   10.341   1.7496  712.184   46.903  592.510   57.434 119.6741 74.15173 
1 1 1    4   43    1 o  1091.02   54.006   33.063   3.0286   32.855   4.3186   33.263   4.2485  1086.67   77.300  1095.37   75.440 -8.701782 108.0117 
1 1 1    4   43    3 o  728.034   54.531   14.735   2.0387   15.104   2.9685   14.405   2.8048  735.656   78.486  720.411   75.726 15.24438 109.0618 
1 1 1    4   43    5 o  304.752   57.353   2.7635   0.9328   2.0459   1.4208   3.3071   1.2367  268.918   88.617  340.586   72.831 -71.66745 114.7057 
1 1 1    4   43    7 o  320.132   46.280   2.8501   0.6944   2.8575   0.8340   2.8333   1.2538  327.632   49.513  312.632   78.203 14.99976 92.55927 
1 1 1    4   43    9 o  309.571   35.266   2.6114   0.5424   2.2639   0.7811   2.9349   0.7537  286.048   55.115  333.094   44.012 -47.04630 70.53163 
1 1 1    4   43   11 o  185.753   38.781   0.9472   0.4008   0.7634   0.5786   1.1166   0.5556  171.028   56.559  200.477   53.075 -29.44997 77.56151 
1 1 1    4   43   13 o  828.312   30.638   18.212   1.3008   16.704   1.8454   19.702   1.8340  793.033   45.261  863.592   41.306 -70.55890 61.27594 
1 1 1    4   43   15 f  562.720   34.614   8.2317   0.9780   6.1177   1.2806   11.190   1.5150  476.924   52.229  648.517   45.438 -171.5929 69.22762 
1 1 1    4   43   17 o  585.719   58.639   10.748   1.4146   11.690   1.6584   8.2317   2.7103  660.518   48.837  510.921  106.626 149.5962 117.2782 
1 1 1    4   43   19 o  466.884   57.399   6.3979   1.2736   6.5091   1.5861   6.1960   2.1367  485.274   63.573  448.494   95.588 36.78055 114.7983 
1 1 1    4   43   21 o  671.151   35.214   12.167   1.2123   11.437   1.7311   12.870   1.6984  650.085   51.793  692.217   47.724 -42.13171 70.42815 
1 1 1    4   43   23 o  1024.21   34.384   28.347   1.8060   26.135   2.5538   30.561   2.5544  982.202   50.572  1066.22   46.599 -84.02258 68.76801 
1 1 1    4   43   25 o  817.617   34.777   18.160   1.4578   16.666   2.0607   19.657   2.0625  782.051   51.253  853.183   47.021 -71.13251 69.55396 
1 1 1    4   43   27 o  285.232   51.494   2.6975   0.7755   1.4178   1.4921   3.1710   0.9077  230.560   88.933  339.904   51.939 -109.3435 102.9888 
1 1 1    4   43   29 o  266.588   48.758   2.2327   0.8585   0.0000   1.3825   3.6338   1.0952  174.352   77.363  358.824   59.366 -184.4720 97.51617 
1 1 1    4   43   31 o  202.375   41.676   1.1879   0.4642   1.4333   0.6738   0.9663   0.6403  220.704   58.456  184.046   59.419 36.65854 83.35281 
1 1 1    4   43   33 o  242.835   50.984   1.8771   0.6398   1.9631   0.7292   1.5895   1.3340  258.374   56.469  227.296   84.905 31.07765 101.9688 
1 1 1    4   43   35 o  430.514   38.455   5.3430   0.8458   5.7334   1.1696   4.9148   1.2247  450.151   50.535  410.877   57.978 39.27493 76.91045 
1 1 1    4   43   37 o  405.565   36.564   4.7512   0.7591   5.1674   1.0678   4.3259   1.0792  426.007   48.752  385.124   54.507 40.88257 73.12803 
1 1 1    4   44    0 o  736.065   66.647   15.731   2.1621   21.754   3.1134   10.122   3.0048  896.809   68.441  575.321  114.380 -0.000000 0.000000 
1 1 1    4   44    2 o  378.393   40.419   3.8648   0.7863   3.9062   1.1172   3.8242   1.1069  380.411   57.123  376.376   57.200 4.034363 80.83849 
1 1 1    4   44    4 o  1159.52   38.040   36.163   2.2630   33.734   3.2096   38.564   3.1913  1118.86   55.797  1200.18   51.719 -81.31458 76.07948 
1 1 1    4   44    6 o  180.964   39.417   0.8879   0.4156   1.1397   0.5643   0.5892   0.6144  202.404   53.437  159.524   57.959 42.88033 78.83361 
1 1 1    4   44    8 o  436.558   32.896   5.1030   0.7320   4.4093   1.0438   5.7741   1.0268  406.030   50.003  467.085   42.757 -61.05493 65.79108 
1 1 1    4   44   10 f  805.344   31.237   17.210   1.2931   17.493   1.8502   16.939   1.8081  811.728   44.333  798.961   44.017 12.76691 62.47379 
1 1 1    4   44   12 o  450.212   32.622   5.3844   0.7514   6.1608   1.0936   4.6901   1.0341  481.522   44.174  418.902   48.015 62.61926 65.24437 
1 1 1    4   44   14 o  197.889   39.287   1.0549   0.4312   1.5233   0.6380   0.6610   0.5851  233.042   54.263  162.736   56.829 70.30522 78.57460 
1 1 1    4   44   16 o  1087.63   57.250   35.309   3.0151   39.467   3.8654   28.848   4.8183  1195.95   62.865  979.306   95.699 216.6433 114.5000 
1 1 1    4   44   18 o  816.520   40.445   17.990   1.6477   19.239   2.7071   17.255   2.0766  833.351   63.183  799.688   50.508 33.66302 80.88978 
1 1 1    4   44   20 o  878.154   35.112   20.874   1.5802   19.114   2.2412   22.612   2.2282  839.284   51.940  917.023   47.262 -77.73889 70.22421 
1 1 1    4   44   22 o  361.794   39.730   3.6332   0.7129   4.3782   1.0351   2.9610   0.9833  401.703   50.120  321.886   61.660 79.81644 79.46023 
1 1 1    4   44   24 o  547.466   36.380   8.2060   1.0203   8.9912   1.4460   7.4275   1.4398  575.170   48.899  519.763   53.880 55.40674 72.76095 
1 1 1    4   44   26 o  588.520   59.177   11.440   1.4383   8.3600   2.6675   12.703   1.7079  494.977  107.868  682.063   48.705 -187.0861 118.3535 
1 1 1    4   44   28 o  295.510   43.486   2.3681   0.6469   1.5861   0.8205   3.6527   1.0516  230.475   65.921  360.545   56.731 -130.0697 86.97155 
1 1 1    4   44   30 o  565.447   36.231   8.9118   1.0532   8.9230   1.4969   8.9008   1.4822  565.594   51.476  565.301   50.999 0.2928467 72.46147 
1 1 1    4   44   32 f  207.805   51.670   1.2045   0.6442   1.0083   0.7745   1.6453   1.1607  187.402   65.386  228.207   80.025 -40.80478 103.3408 
1 1 1    4   44   34 o  203.377   40.577   1.2063   0.4725   1.8301   0.6890   0.6524   0.6492  247.875   55.453  158.880   59.254 88.99547 81.15436 
1 1 1    4   45    1 o  848.663   39.098   19.477   1.7043   18.725   2.4251   20.210   2.3957  831.386   56.736  865.941   53.812 -34.55493 78.19643 
1 1 1    4   45    3 o  420.917   41.341   4.8381   0.8883   4.2385   1.2624   5.4263   1.2502  393.357   62.422  448.476   54.222 -55.11954 82.68295 
1 1 1    4   45    5 o  1239.89   37.842   41.417   2.4113   42.967   3.4616   39.956   3.3609  1262.62   53.326  1217.17   53.707 45.44763 75.68436 
1 1 1    4   45    7 o  716.554   31.929   13.710   1.1714   12.465   1.6700   14.917   1.6435  683.070   47.554  750.038   42.620 -66.96790 63.85795 
1 1 1    4   45    9 o  591.776   31.734   9.3189   0.9651   9.7047   1.3807   8.9504   1.3495  603.932   44.469  579.620   45.286 24.31140 63.46863 
1 1 1    4   45   11 o  374.883   34.311   3.8054   0.6518   3.1312   0.9299   4.4564   0.9138  340.368   53.141  409.397   43.416 -69.02972 68.62208 
1 1 1    4   45   13 f  257.510   43.345   1.7814   0.5513   1.4423   0.6868   2.3954   0.9242  225.534   58.674  289.486   63.815 -63.95192 86.68964 
1 1 1    4   45   15 o  875.538   40.331   21.052   1.7941   21.687   2.3896   20.231   2.7163  895.235   51.918  855.841   61.732 39.39404 80.66207 
1 1 1    4   45   17 o  296.147   42.984   2.4930   0.6316   2.5732   0.9241   2.4227   0.8651  300.221   61.925  292.073   59.631 8.148224 85.96825 
1 1 1    4   45   19 o  626.729   36.779   10.690   1.1851   10.765   1.6805   10.617   1.6714  628.926   51.971  624.531   52.054 4.395203 73.55714 
1 1 1    4   45   21 o  819.526   35.509   18.278   1.4946   17.252   2.0987   19.333   2.1291  795.177   51.336  843.875   49.073 -48.69739 71.01774 
1 1 1    4   45   23 o  479.460   39.373   6.5335   0.9275   4.5269   1.3239   8.4677   1.2998  399.212   64.503  559.709   45.169 -160.4970 78.74603 
1 1 1    4   45   25 o  326.426   55.222   3.7091   0.9991   1.5487   1.7082   4.8324   1.2318  237.898   94.150  414.954   57.739 -177.0563 110.4444 
1 1 1    4   45   27 o  326.965   39.229   3.0252   0.6429   2.6826   0.8836   3.4103   0.9370  303.756   58.707  350.174   52.048 -46.41843 78.45707 
1 1 1    4   45   29 o  397.723   39.660   4.5148   0.8055   4.9298   1.1210   4.0719   1.1582  419.375   51.993  376.072   59.903 43.30304 79.31998 
1 1 1    4   45   31 o  231.018   54.107   1.3753   0.7490   0.6792   0.9102   2.8356   1.3183  172.115   68.532  289.922   83.747 -117.8074 108.2139 
1 1 1    4   45   33 o  276.922   41.456   2.2539   0.5846   1.6600   0.7833   3.0008   0.8784  230.687   63.868  323.156   52.871 -92.46898 82.91236 
1 1 1    4   46    0 o  798.198   57.935   17.834   2.3198   17.530   3.2714   18.141   3.2902  790.711   82.529  805.684   81.331 -0.000000 0.000000 
1 1 1    4   46    2 o  301.524   45.620   2.5919   0.6857   2.6279   0.9826   2.5576   0.9573  303.439   64.944  299.609   64.086 3.829712 91.24008 
1 1 1    4   46    4 o  339.166   43.869   3.2288   0.7376   4.1482   1.0645   2.3798   1.0230  391.858   52.839  286.474   70.043 105.3846 87.73827 
1 1 1    4   46    6 o  396.946   43.171   4.4532   0.8371   3.4624   1.2029   5.3836   1.1656  346.747   69.888  447.145   50.702 -100.3988 86.34280 
1 1 1    4   46    8 o  670.036   32.274   11.981   1.1092   13.116   1.5949   10.917   1.5437  701.524   44.219  638.547   47.021 62.97681 64.54723 
1 1 1    4   46   10 o  365.302   44.727   3.8611   0.7736   4.1739   0.9744   3.3276   1.2724  394.264   48.068  336.340   75.442 57.92462 89.45459 
1 1 1    4   46   12 o  363.147   46.259   3.7950   0.8258   4.1751   1.0974   3.2987   1.2539  391.593   54.510  334.701   74.755 56.89215 92.51828 
1 1 1    4   46   14 o  807.778   34.086   17.495   1.3959   18.102   2.1749   17.070   1.8204  816.755   51.795  798.801   44.325 17.95416 68.17159 
1 1 1    4   46   16 o  407.482   36.448   4.5002   0.7512   4.5989   1.1756   4.4321   0.9767  409.301   55.865  405.663   46.828 3.638275 72.89547 
1 1 1    4   46   18 o  355.804   38.571   3.4708   0.7046   3.2307   0.9749   3.7334   1.0195  342.609   55.345  368.999   53.739 -26.39044 77.14196 
1 1 1    4   46   20 o  661.263   37.241   12.023   1.2627   11.039   1.7809   13.018   1.7907  632.280   54.785  690.245   50.460 -57.96472 74.48251 
1 1 1    4   46   22 o  364.851   57.353   4.4960   0.9636   3.1764   1.9036   4.9506   1.1173  305.458  102.632  424.245   51.226 -118.7870 114.7062 
1 1 1    4   46   24 o  201.845   46.022   1.1655   0.6319   0.0000   1.0438   1.8397   0.7939  154.302   67.901  249.388   62.141 -95.08615 92.04382 
1 1 1    4   46   26 o  392.350   37.714   4.3208   0.7592   4.1475   1.0919   4.4830   1.0562  383.448   55.388  401.252   51.200 -17.80368 75.42737 
1 1 1    4   46   28 o  217.061   42.781   1.4223   0.5071   1.7477   0.7009   1.0648   0.7347  243.098   57.058  191.025   63.760 52.07306 85.56203 
1 1 1    4   46   30 o  619.734   64.361   13.061   1.8574   13.405   2.3136   12.437   3.1150  665.263   67.644  574.205  109.515 91.05750 128.7214 
1 1 1    4   46   32 o  269.168   44.867   2.2603   0.6198   1.7049   0.8626   2.8531   0.8911  230.696   68.062  307.639   58.477 -76.94385 89.73299 
1 1 1    4   47    1 o  357.327   43.576   3.5706   0.7786   4.0571   1.1150   3.1076   1.0876  385.613   56.242  329.042   66.576 56.57083 87.15232 
1 1 1    4   47    3 o  783.333   39.870   16.787   1.6016   15.727   2.2883   17.804   2.2423  757.060   58.791  809.606   53.871 -52.54572 79.73981 
1 1 1    4   47    5 o  262.292   49.149   2.2293   0.7532   2.9004   0.8883   0.5125   1.4207  327.003   52.835  197.582   82.890 129.4213 98.29742 
1 1 1    4   47    7 o  416.296   51.867   4.7333   1.0216   4.2421   1.2313   5.8181   1.8300  391.764   61.132  440.828   83.807 -49.06348 103.7339 
1 1 1    4   47    9 o  436.235   42.448   5.2772   0.9461   5.5320   1.2921   4.9827   1.3891  449.645   55.891  422.825   63.902 26.81973 84.89551 
1 1 1    4   47   11 o  151.425   39.923   0.5192   0.4090   0.3810   0.6954   0.5923   0.5056  149.963   59.842  152.888   52.862 -2.924744 79.84638 
1 1 1    4   47   13 o  393.591   36.658   4.2050   0.7280   4.2960   1.1478   4.1437   0.9416  395.059   56.513  392.123   46.708 2.936340 73.31643 
1 1 1    4   47   15 o  330.560   41.728   3.3509   0.6489   2.0273   1.0090   4.2844   0.8474  260.693   72.599  400.427   41.160 -139.7346 83.45557 
1 1 1    4   47   17 o  331.626   36.703   3.0833   0.5915   2.2078   0.8240   4.0138   0.8495  276.723   59.673  386.529   42.748 -109.8057 73.40507 
1 1 1    4   47   19 o  426.536   40.887   5.0947   0.8952   5.2984   1.2523   4.8817   1.2803  436.452   55.807  416.620   59.771 19.83142 81.77394 
1 1 1    4   47   21 o  589.643   91.238   11.044   2.7659   11.044   2.7659   0.0000   0.0000  589.643   91.238  ?   ?       ?      ? 
1 1 1    4   47   23 o  1074.85   41.113   32.846   2.2185   33.190   2.8669   32.333   3.5026  1093.53   50.994  1056.18   64.503 37.34595 82.22569 
1 1 1    4   47   25 o  515.373   37.502   7.4810   0.9889   6.6778   1.3932   8.2966   1.4039  485.009   55.873  545.736   50.038 -60.72635 75.00354 
1 1 1    4   47   27 o  602.459   37.218   10.287   1.1510   10.888   1.6275   9.6862   1.6281  621.866   50.903  583.052   54.312 38.81390 74.43698 
1 1 1    4   47   29 o  245.697   59.347   1.9654   0.8588   1.7376   1.0455   2.4380   1.5057  230.819   76.016  260.574   91.158 -29.75557 118.6940 
1 1 1    4   47   31 o  245.536   44.408   1.9237   0.5767   2.3669   0.7938   1.4282   0.8393  279.753   57.121  211.320   68.011 68.43323 88.81581 
1 1 1    4   48    0 o  832.988   83.974   19.642   3.5125   19.642   3.5125   0.0000   0.0000  832.988   83.974  832.988   83.974 0.000000 0.000000 
1 1 1    4   48    2 o  656.470   61.980   12.978   2.0514   15.341   2.8812   10.549   2.9215  728.173   76.962  584.767   97.175 143.4062 123.9598 
1 1 1    4   48    4 o  537.824   61.896   8.7971   1.6437   9.6508   2.2363   7.7941   2.4240  578.745   75.158  496.903   98.366 81.84216 123.7922 
1 1 1    4   48    6 o  303.261   60.730   2.8530   1.0605   4.0028   1.4684   1.5994   1.5332  364.306   80.539  242.217   90.917 122.0893 121.4591 
1 1 1    4   48    8 o  265.601   43.439   2.2401   0.7198   0.0000   1.1601   3.6422   0.9178  164.346   71.969  366.857   48.663 -202.5107 86.87714 
1 1 1    4   48   10 o  230.112   43.256   1.5195   0.5152   1.5966   0.7998   1.4648   0.6736  234.223   64.411  226.001   57.756 8.221649 86.51295 
1 1 1    4   48   12 o  169.344   39.192   0.7897   0.4062   0.4428   0.6651   0.9960   0.5129  150.878   59.044  187.809   51.555 -36.93114 78.38470 
1 1 1    4   48   14 o  178.620   37.944   0.8965   0.3823   1.0714   0.5275   0.7030   0.5550  194.236   51.852  163.003   55.411 31.23257 75.88832 
1 1 1    4   48   16 o  553.606   32.226   8.3110   0.9170   8.3541   1.3111   8.2697   1.2831  554.759   45.969  552.453   45.176 2.306396 64.45142 
1 1 1    4   48   18 o  330.673   59.088   3.4293   0.9831   3.2829   1.2449   3.6718   1.6026  326.924   75.579  334.423   90.849 -7.499451 118.1765 
1 1 1    4   48   20 o  173.641   48.287   0.6753   0.6327   0.0000   1.1968   0.9372   0.7453  163.068   72.187  184.215   64.153 -21.14655 96.57373 
1 1 1    4   48   22 o  248.115   43.532   1.8234   0.5605   2.3238   0.8193   1.3833   0.7685  281.367   58.541  214.862   64.445 66.50534 87.06470 
1 1 1    4   48   24 o  459.739   38.873   6.0202   0.9173   5.7164   1.3056   6.3163   1.2891  446.739   56.843  472.739   53.040 -25.99994 77.74554 
1 1 1    4   48   26 o  373.248   42.351   4.1220   0.7895   3.6957   1.1212   4.5411   1.1118  348.369   64.993  398.126   54.316 -49.75726 84.70113 
1 1 1    4   48   28 o  448.831   68.401   7.7630   1.4698   8.4551   1.7783   6.2713   2.6109  526.718   65.669  370.943  120.010 155.7745 136.8028 
1 1 1    4   49    1 o  255.000   49.711   2.1320   0.7583   0.4982   1.3558   2.8757   0.9147  191.705   80.727  318.295   58.034 -126.5903 99.42233 
1 1 1    4   49    3 o  489.970   49.681   6.6601   1.1919   7.6628   2.0699   6.1627   1.4578  509.966   78.948  469.974   60.333 39.99249 99.36221 
1 1 1    4   49    5 o  592.877   48.114   9.6325   1.4133   11.591   2.4099   8.6056   1.7449  631.363   74.242  554.391   61.220 76.97162 96.22778 
1 1 1    4   49    7 o  624.539   40.462   10.945   1.2738   8.7165   1.8133   13.116   1.7898  555.719   63.465  693.359   50.210 -137.6397 80.92490 
1 1 1    4   49    9 f  707.971   32.249   13.540   1.1729   14.286   1.6882   12.844   1.6308  727.145   45.158  688.796   46.051 38.34827 64.49783 
1 1 1    4   49   11 o  230.893   40.710   1.5407   0.4814   1.5774   0.6936   1.5066   0.6686  233.403   58.046  228.382   57.094 5.020935 81.41901 
1 1 1    4   49   13 o  598.359   32.449   9.7555   0.9950   9.0803   1.4255   10.397   1.3894  576.523   48.093  620.195   43.576 -43.67114 64.89807 
1 1 1    4   49   15 o  380.588   34.955   4.0032   0.6737   4.8099   0.9612   3.2245   0.9445  420.872   44.423  340.305   53.982 80.56784 69.91010 
1 1 1    4   49   17 o  659.867   41.355   12.346   1.3766   12.355   2.1550   12.339   1.7892  653.847   64.105  665.886   52.262 -12.03900 82.70923 
1 1 1    4   49   19 o  237.959   43.420   1.3655   0.5385   0.7069   0.6449   2.8806   0.9782  164.726   59.453  311.191   63.297 -146.4648 86.84001 
1 1 1    4   49   21 o  643.050   37.755   11.674   1.2469   10.983   1.7441   12.397   1.7832  622.367   54.509  663.734   52.256 -41.36761 75.51061 
1 1 1    4   49   23 f  384.360   45.443   4.4341   0.8356   6.6317   1.2376   2.5930   1.1328  485.991   49.532  282.728   76.203 203.2633 90.88634 
1 1 1    4   49   25 o  345.532   58.918   4.1019   0.9535   4.1766   1.0949   3.8673   1.9401  379.205   56.162  311.859  103.591 67.34628 117.8355 
1 1 1    4   49   27 f  415.077   52.997   6.0252   1.0220   3.9384   1.6391   7.3524   1.3072  323.630   93.353  506.525   50.196 -182.8947 105.9931 
1 1 1    4   50    0 o  185.073   68.862   1.4566   0.8677   1.5533   1.2735   1.3728   1.1855  190.249   99.374  179.897   95.356 0.000000 0.000000 
1 1 1    4   50    2 f  233.532   44.242   1.5903   0.5911   0.7362   0.8433   2.4155   0.8288  176.828   67.187  290.236   57.578 -113.4086 88.48339 
1 1 1    4   50    4 o  374.470   45.181   4.1340   0.8227   2.9893   1.1837   5.2038   1.1443  313.691   74.501  435.249   51.136 -121.5572 90.36190 
1 1 1    4   50    6 o  503.852   43.150   7.2216   1.1069   6.3152   1.5906   8.0729   1.5414  469.153   65.943  538.551   55.671 -69.39743 86.30043 
1 1 1    4   50    8 o  604.709   40.333   10.268   1.2486   9.4010   1.7835   11.101   1.7485  576.842   60.138  632.577   53.762 -55.73462 80.66503 
1 1 1    4   50   10 o  381.684   34.641   3.9785   0.6773   4.4811   0.9943   3.5435   0.9251  404.642   47.793  358.725   50.157 45.91669 69.28140 
1 1 1    4   50   12 o  227.359   43.950   1.4985   0.5148   1.6687   0.8496   1.3997   0.6471  235.632   66.970  219.086   56.932 16.54565 87.89918 
1 1 1    4   50   14 o  155.289   40.984   0.5795   0.4398   0.4802   0.6687   0.6553   0.5838  151.549   59.234  159.029   56.658 -7.480530 81.96783 
1 1 1    4   50   16 o  703.651   39.125   12.735   1.3474   9.8947   1.6310   18.839   2.3910  593.412   53.459  813.889   57.141 -220.4766 78.24900 
1 1 1    4   50   18 o  534.035   37.343   8.1704   0.9996   8.9139   1.3239   7.1847   1.5244  569.028   45.253  499.042   59.416 69.98611 74.68694 
1 1 1    4   50   20 o  957.021   34.607   25.472   1.6879   24.405   2.2274   26.911   2.5867  937.910   46.193  976.132   51.543 -38.22168 69.21347 
1 1 1    4   50   22 o  353.300   41.275   3.6662   0.7331   3.3860   1.0086   3.9802   1.0675  335.788   60.657  370.812   55.994 -35.02332 82.55051 
1 1 1    4   50   24 o  174.256   48.305   0.7903   0.6452   1.0837   0.7555   0.0000   1.2398  189.170   64.652  159.342   71.788 29.82861 96.60934 
1 1 1    4   51    1 o  1018.78   40.551   29.229   2.1203   31.046   2.9991   27.413   2.9981  1053.44   55.375  984.106   59.256 69.33856 81.10265 
1 1 1    4   51    3 o  701.168   40.787   13.873   1.4682   13.371   2.1027   14.350   2.0509  686.743   59.554  715.592   55.747 -28.84943 81.57418 
1 1 1    4   51    5 f  247.782   45.649   1.8753   0.6147   1.1772   0.9034   2.4774   0.8389  203.129   70.634  292.435   57.846 -89.30624 91.29795 
1 1 1    4   51    7 o  932.060   40.413   24.594   1.9249   21.787   2.7255   27.387   2.7188  873.509   60.690  990.611   53.383 -117.1014 80.82694 
1 1 1    4   51    9 o  916.314   41.841   23.971   1.9520   23.474   2.9438   24.360   2.6077  900.949   63.553  931.679   54.441 -30.72998 83.68300 
1 1 1    4   51   11 o  372.376   46.546   4.0613   0.8601   4.3375   1.3395   3.8675   1.1221  377.097   71.710  367.656   59.362 9.440857 93.09167 
1 1 1    4   51   13 f  555.390   41.248   8.2012   1.1136   6.9978   1.3375   10.921   2.0106  499.552   52.077  611.228   63.980 -111.6757 82.49521 
1 1 1    4   51   15 o  162.426   39.328   0.7233   0.4098   0.9400   0.5362   0.4190   0.6353  180.057   53.795  144.795   57.382 35.26230 78.65521 
1 1 1    4   51   17 o  370.908   37.010   3.8391   0.7003   3.3905   0.9244   4.4433   1.0727  346.129   51.945  395.686   52.732 -49.55777 74.02009 
1 1 1    4   51   19 o  728.403   32.734   14.792   1.2195   16.774   1.7572   12.951   1.6938  778.305   43.915  678.500   48.555 99.80505 65.46855 
1 1 1    4   51   21 o  195.202   44.066   1.1612   0.5047   0.9540   0.7154   1.3664   0.7120  180.191   62.847  210.213   61.785 -30.02197 88.13152 
1 1 1    4   52    0 o  211.842  100.558   1.9337   1.2464   0.0000   0.0000   1.9337   1.2464  211.842  100.558  211.842  100.558 0.000000 0.000000 
1 1 1    4   52    2 o  686.260   51.726   13.557   1.7196   16.229   3.0664   12.331   2.0768  718.935   82.960  653.584   61.806 65.35114 103.4521 
1 1 1    4   52    4 o  658.939   61.771   14.016   2.0623   12.536   3.0227   15.306   2.8208  612.557   95.978  705.321   77.788 -92.76489 123.5424 
1 1 1    4   52    6 o  267.893   61.693   2.3399   0.9625   2.7139   1.5080   2.0828   1.2503  282.254   91.196  253.532   83.111 28.72185 123.3859 
1 1 1    4   52    8 o  227.731   56.286   1.6245   0.8344   1.1156   1.3137   1.9686   1.0802  206.743   82.329  248.719   76.776 -41.97560 112.5729 
1 1 1    4   52   10 o  250.302   46.133   2.0074   0.5951   2.2436   0.7259   1.5235   1.0391  278.765   52.580  221.840   75.818 56.92499 92.26653 
1 1 1    4   52   12 o  698.073   36.448   13.680   1.2966   13.268   1.7149   14.230   1.9810  689.532   48.375  706.615   54.531 -17.08337 72.89555 
1 1 1    4   52   14 o  237.110   39.957   1.6671   0.4869   2.1375   0.7089   1.2469   0.6699  270.765   52.817  203.454   59.971 67.31087 79.91384 
1 1 1    4   52   16 o  481.122   34.483   6.5187   0.8508   7.1410   1.2220   5.9334   1.1851  504.824   47.083  457.420   50.394 47.40387 68.96699 
1 1 1    4   52   18 o  480.496   35.895   6.6107   0.8649   4.9804   1.1972   8.3910   1.2510  412.590   56.437  548.402   44.371 -135.8114 71.79095 
1 1 1    4   53    1 o  314.545   65.528   3.4676   1.1281   3.5414   1.6809   3.4071   1.5218  314.762   95.515  314.327   89.735 0.4351501 131.0552 
1 1 1    4   53    3 o  244.567   57.411   1.9446   0.8534   1.5879   1.2108   2.2967   1.2030  225.223   81.432  263.910   80.949 -38.68733 114.8215 
1 1 1    4   53    5 o  249.877   50.188   2.0662   0.7545   2.8784   0.9785   0.8750   1.1849  308.456   63.805  191.298   77.486 117.1586 100.3756 
1 1 1    4   53    7 o  519.473   53.448   8.5534   1.3155   8.9932   1.6685   7.8309   2.1387  557.077   58.257  481.870   89.625 75.20703 106.8951 
1 1 1    4   53    9 o  624.864   43.938   11.483   1.3360   16.233   1.9722   7.4547   1.8161  758.034   50.605  491.694   71.842 266.3397 87.87552 
1 1 1    4   53   11 o  1137.17   33.642   36.387   1.9550   32.396   2.7793   40.295   2.7505  1069.08   50.565  1205.25   44.387 -136.1729 67.28346 
1 1 1    4   53   13 o  317.759   38.172   2.9383   0.6103   3.1054   0.8736   2.7791   0.8530  329.646   51.545  305.873   56.315 23.77298 76.34324 
1 1 1    4   53   15 o  731.481   37.083   15.505   1.3678   14.940   2.1164   15.910   1.7924  711.320   57.872  751.641   46.383 -40.32092 74.16606 
1 1 1    4   54    0 o  190.600   61.840   1.4618   0.8671   0.0000   1.3279   2.5482   1.1448  121.983   80.766  259.216   93.668 0.000000 0.000000 
1 1 1    4   54    2 o  294.762   51.080   2.7926   0.7691   2.9566   1.0738   2.6199   1.1020  305.940   69.811  283.584   74.586 22.35596 102.1601 
1 1 1    4   54    4 o  553.086   43.596   9.1131   1.2326   8.2617   1.7603   9.9321   1.7265  522.889   65.481  583.284   57.572 -60.39526 87.19118 
1 1 1    4   54    6 o  801.239   42.055   19.011   1.7203   17.077   2.4641   20.849   2.4029  753.989   63.564  848.488   55.083 -94.49896 84.11034 
1 1 1    4   54    8 o  233.881   52.237   1.6567   0.6865   2.4273   1.1552   1.2360   0.8536  267.753   78.701  200.009   68.709 67.74387 104.4738 
1 1 1    4   54   10 o  307.314   53.853   2.9224   0.8262   4.2028   1.4003   2.2387   1.0232  354.376   78.886  260.253   73.332 94.12344 107.7065 
1 1 1    4   54   12 o  398.783   42.478   4.8596   0.8117   4.4669   1.3012   5.1097   1.0385  373.464   70.349  424.102   47.629 -50.63892 84.95586 
1 1 1    4   55    1 o  272.560   52.801   2.7838   0.8617   1.1462   1.5057   3.5811   1.0507  203.665   85.383  341.455   62.141 -137.7894 105.6013 
1 1 1    4   55    3 o  275.504   55.638   2.8376   0.8881   1.6649   1.5680   3.3915   1.0776  222.644   89.502  328.365   66.118 -105.7216 111.2755 
1 1 1    5    0    1 o  1029.65   47.658   27.685   2.4976   28.229   3.5729   27.166   3.4927  1039.63   67.499  1019.67   67.298 0.000000 0.000000 
1 1 1    5    0    3 o  1291.51   39.115   43.267   2.5816   42.178   3.7364   44.261   3.5712  1275.51   57.240  1307.51   53.326 0.000000 0.000000 
1 1 1    5    0    5 o  1303.89   37.593   44.039   2.5092   45.399   3.5346   42.657   3.5627  1324.48   52.090  1283.30   54.219 0.000000 0.000000 
1 1 1    5    0    7 o  3071.24   37.853  243.243   5.9727  241.119   8.4280  245.387   8.4656  3057.74   53.648  3084.75   53.415 0.000000 0.000000 
1 1 1    5    0    9 o  182.293   47.947   1.1505   0.4184   1.1930   0.5883   1.1070   0.5952  187.237   66.931  177.348   68.673 0.000000 0.000000 
1 1 1    5    0   11 o  3213.91   54.049  266.406   8.9250  266.406   8.9250   0.0000   0.0000  3213.91   54.049  3213.91   54.049 0.000000 0.000000 
1 1 1    5    0   13 o  3219.64   38.604  267.472   6.3849  272.446   9.0176  262.471   9.0418  3249.81   54.005  3189.47   55.177 0.000000 0.000000 
1 1 1    5    0   15 f  646.460   40.081   11.037   1.3064   10.425   1.8520   11.642   1.8430  627.659   58.563  665.260   54.738 -0.000000 0.000000 
1 1 1    5    0   17 o  1145.31   39.386   34.111   2.3062   34.740   3.2527   33.475   3.2703  1156.17   55.004  1134.46   56.387 0.000000 0.000000 
1 1 1    5    0   19 o  881.916   39.982   20.368   1.7940   19.494   2.5440   21.233   2.5303  862.446   57.976  901.386   55.071 -0.000000 0.000000 
1 1 1    5    0   21 o  465.012   42.881   5.8753   0.9739   6.1741   1.3692   5.5692   1.3857  478.650   57.888  451.373   63.277 0.000000 0.000000 
1 1 1    5    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0   25 o  807.744   57.055   17.074   2.3422   0.0000   0.0000   17.074   2.3422  807.744   57.055  807.744   57.055 -0.000000 0.000000 
1 1 1    5    0   27 o  264.775   74.876   2.1909   0.8827   2.1909   0.8827   0.0000   0.0000  264.775   74.876  264.775   74.876 0.000000 0.000000 
1 1 1    5    0   29 o  1033.23   57.177   27.783   3.0160   0.0000   0.0000   27.783   3.0160  1033.23   57.177  1033.23   57.177 -0.000000 0.000000 
1 1 1    5    0   31 o  867.180   57.766   19.659   2.5492   0.0000   0.0000   19.659   2.5492  867.180   57.766  867.180   57.766 -0.000000 0.000000 
1 1 1    5    0   33 o  1949.17   56.977   98.331   5.6987   98.331   5.6987   0.0000   0.0000  1949.17   56.977  1949.17   56.977 0.000000 0.000000 
1 1 1    5    0   35 o  368.738   43.714   3.6500   0.7981   3.6500   0.7981   0.0000   0.0000  368.738   43.714  368.738   43.714 0.000000 0.000000 
1 1 1    5    0   37 o  217.225   53.872   1.4208   0.5207   1.4208   0.5207   0.0000   0.0000  217.225   53.872  217.225   53.872 0.000000 0.000000 
1 1 1    5    0   39 o  581.182   41.705   8.8595   1.2314   0.0000   0.0000   8.8595   1.2314  581.182   41.705  581.182   41.705 -0.000000 0.000000 
1 1 1    5    0   41 o  590.308   42.441   9.1548   1.2728   0.0000   0.0000   9.1548   1.2728  590.308   42.441  590.308   42.441 -0.000000 0.000000 
1 1 1    5    0   43 o  480.163   63.965   6.3393   1.5006   0.0000   0.0000   6.3393   1.5006  480.163   63.965  480.163   63.965 -0.000000 0.000000 
1 1 1    5    0   45 o  1636.65   41.553   69.700   3.4914   69.700   3.4914   0.0000   0.0000  1636.65   41.553  1636.65   41.553 0.000000 0.000000 
1 1 1    5    0   47 o  120.482   58.697   0.5618   0.4279   0.5618   0.4279   0.0000   0.0000  120.482   58.697  120.482   58.697 0.000000 0.000000 
1 1 1    5    0   49 f  148.409   59.023   0.7979   0.4350   0.7979   0.4350   0.0000   0.0000  148.409   59.023  148.409   59.023 0.000000 0.000000 
1 1 1    5    0   51 f  270.887   54.438   2.1430   0.6722   2.1430   0.6722   0.0000   0.0000  270.887   54.438  270.887   54.438 0.000000 0.000000 
1 1 1    5    0   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0   55 o  111.987   57.444   0.4959   0.4202   0.4959   0.4202   0.0000   0.0000  111.987   57.444  111.987   57.444 0.000000 0.000000 
1 1 1    5    0   57 o   94.304   50.763   0.3441   0.3407   0.0000   0.0000   0.3441   0.3407   94.304   50.763   94.304   50.763 -0.000000 0.000000 
1 1 1    5    0   59 o  185.551   83.417   1.4350   0.8511   0.0000   0.0000   1.4350   0.8511  185.551   83.417  185.551   83.417 -0.000000 0.000000 
1 1 1    5    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    1    2 o  1382.07   37.706   49.648   2.4797   48.430   4.4182   50.208   2.9960  1368.45   62.798  1395.68   41.753 -27.22742 75.41177 
1 1 1    5    1    4 o  969.722   26.605   24.220   1.3262   23.868   1.8567   24.587   1.8950  962.540   37.519  976.905   37.730 -14.36511 53.20953 
1 1 1    5    1    6 o  2960.98   26.591  225.894   4.0476  222.824   5.7280  228.957   5.7203  2940.83   37.885  2981.13   37.323 -40.29688 53.18104 
1 1 1    5    1    8 o  1057.17   26.906   28.817   1.4608   30.364   2.0660   27.270   2.0659  1085.62   37.015  1028.71   39.061 56.91699 53.81285 
1 1 1    5    1   10 o  1911.50   33.108   93.991   3.0687   95.100   5.3248   93.439   3.7550  1918.78   53.977  1904.22   38.355 14.56543 66.21648 
1 1 1    5    1   12 o  1029.24   54.669   27.374   2.8929   27.374   2.8929   0.0000   0.0000  1029.24   54.669  ?   ?       ?      ? 
1 1 1    5    1   14 f  987.400   27.409   25.155   1.3899   23.792   1.9653   26.519   1.9659  960.547   39.795  1014.25   37.701 -53.70471 54.81779 
1 1 1    5    1   16 o  1920.45   27.505   95.165   2.7152   92.844   3.8327   97.503   3.8472  1896.87   39.300  1944.04   38.492 -47.16187 55.01043 
1 1 1    5    1   18 o  891.834   34.134   20.821   1.4706   21.258   1.8058   19.960   2.5339  907.111   38.721  876.558   56.225 30.55212 68.26863 
1 1 1    5    1   20 o  1088.49   33.815   30.533   1.7891   30.164   2.1918   31.268   3.0969  1080.16   39.469  1096.81   54.918 -16.65918 67.63005 
1 1 1    5    1   22 o  1677.03   39.451   73.035   3.3949   78.417   4.8095   67.690   4.7927  1739.20   53.787  1614.85   57.727 124.3544 78.90141 
1 1 1    5    1   24 o  1031.28   56.368   27.524   2.9887   27.524   2.9887   0.0000   0.0000  1031.28   56.368  ?   ?       ?      ? 
1 1 1    5    1   26 o  1069.83   39.750   29.604   2.1853   30.740   3.0939   28.472   3.0870  1090.44   55.186  1049.23   57.226 41.21057 79.50045 
1 1 1    5    1   28 o  2730.49   39.764  192.842   5.5794  185.435   7.8715  200.321   7.9096  2677.51   57.182  2783.47   55.271 -105.9629 79.52786 
1 1 1    5    1   30 o  2693.28   34.312  185.720   4.5022  182.235   5.5194  192.647   7.7827  2657.93   40.391  2728.62   55.478 -70.69116 68.62351 
1 1 1    5    1   32 o  746.037   36.143   14.862   1.2867   15.762   1.5805   13.095   2.2155  781.546   39.334  710.529   60.647 71.01733 72.28625 
1 1 1    5    1   34 o  683.243   57.915   12.120   2.0344   12.120   2.0344   0.0000   0.0000  683.243   57.915  ?   ?       ?      ? 
1 1 1    5    1   36 o  328.501   36.093   2.4871   0.5566   1.5996   0.6716   4.4347   0.9949  243.345   54.977  413.658   46.781 -170.3134 72.18682 
1 1 1    5    1   38 o  851.360   28.901   18.799   1.2638   19.816   1.7926   17.794   1.7821  874.445   39.873  828.274   41.849 46.17090 57.80282 
1 1 1    5    1   40 o  310.924   30.672   2.5176   0.4900   2.5831   0.6878   2.4500   0.6983  315.116   42.455  306.732   44.278 8.383667 61.34339 
1 1 1    5    1   42 o  164.716   31.192   0.6787   0.2955   1.1866   0.4370   0.2509   0.4011  209.690   41.999  119.742   46.129 89.94833 62.38490 
1 1 1    5    1   44 o  284.268   45.508   2.2461   0.6497   2.1120   0.9063   2.3879   0.9320  275.251   65.068  293.285   63.640 -18.03427 91.01579 
1 1 1    5    1   46 o  616.520   30.162   10.012   0.9554   9.5874   1.3505   10.437   1.3518  603.132   43.551  629.909   41.741 -26.77643 60.32399 
1 1 1    5    1   48 o  361.980   31.503   3.4888   0.5794   4.1498   0.8293   2.8583   0.8100  396.546   40.678  327.413   48.116 69.13297 63.00684 
1 1 1    5    1   50 o  267.486   33.668   1.9576   0.4475   1.5587   0.6267   2.3726   0.6393  235.921   52.968  299.051   41.577 -63.13057 67.33691 
1 1 1    5    1   52 o  190.237   40.493   0.9817   0.4767   0.3105   0.7035   1.5518   0.6483  146.551   59.580  233.924   54.853 -87.37338 80.98571 
1 1 1    5    1   54 o  295.406   49.234   2.6083   0.7355   2.6081   1.0402   2.6085   1.0402  295.396   69.628  295.417   69.626 -0.2056885E-01 98.46748 
1 1 1    5    1   56 o  270.634   42.399   2.0142   0.5502   2.7140   0.9637   1.6758   0.6701  301.534   64.139  239.734   55.469 61.80038 84.79715 
1 1 1    5    1   58 o  182.498   38.889   1.0172   0.3933   0.7054   0.7208   1.1494   0.4693  165.404   62.286  199.591   46.583 -34.18680 77.77898 
1 1 1    5    2    1 o  1626.56   32.808   68.243   2.7420   68.018   3.9431   68.454   3.8155  1623.87   47.230  1629.25   45.551 -5.385010 65.61632 
1 1 1    5    2    3 o  1015.17   28.034   26.540   1.4627   25.830   2.0392   27.293   2.0994  1001.19   39.617  1029.16   39.677 -27.96747 56.06871 
1 1 1    5    2    5 o  356.559   26.835   3.2797   0.4913   3.4321   0.6895   3.1226   0.7001  365.006   36.744  348.111   39.120 16.89459 53.67048 
1 1 1    5    2    7 o  482.990   27.022   6.0356   0.6663   6.8814   0.9448   5.1987   0.9398  516.870   35.555  449.110   40.702 67.75983 54.04449 
1 1 1    5    2    9 o  1541.21   26.995   61.210   2.1387   62.532   3.0284   59.895   3.0208  1557.84   37.811  1524.58   38.540 33.26038 53.99054 
1 1 1    5    2   11 o  979.895   38.304   24.745   1.9297   24.745   1.9297   0.0000   0.0000  979.895   38.304  ?   ?       ?      ? 
1 1 1    5    2   13 o  1327.03   38.538   45.530   2.6272   47.832   3.7297   43.264   3.7013  1360.48   53.323  1293.58   55.654 66.90442 77.07608 
1 1 1    5    2   15 o  2310.55   33.438  137.923   3.7522  137.953   4.6060  137.865   6.4698  2312.77   38.736  2308.33   54.516 4.440186 66.87698 
1 1 1    5    2   17 f  1248.80   33.909   40.768   2.0468   41.607   2.5143   39.120   3.5241  1269.51   38.523  1228.09   55.815 41.41626 67.81818 
1 1 1    5    2   19 o  592.687   34.183   9.1844   0.9794   9.3397   1.2022   8.8778   1.6888  601.092   38.901  584.281   56.219 16.81030 68.36601 
1 1 1    5    2   21 o  1629.83   34.881   70.742   2.7205   74.485   3.3426   63.400   4.6821  1698.06   38.288  1561.60   58.317 136.4556 69.76293 
1 1 1    5    2   23 f  919.533   39.504   21.817   1.8676   21.817   1.8676   0.0000   0.0000  919.533   39.504  ?   ?       ?      ? 
1 1 1    5    2   25 o  238.236   34.667   1.5078   0.3644   1.5227   0.4196   1.4621   0.7346  243.113   33.573  233.358   60.663 9.755035 69.33394 
1 1 1    5    2   27 o  2458.45   32.656  157.247   3.5724  158.535   4.1335  153.445   7.1015  2480.96   32.406  2435.94   56.704 45.02368 65.31130 
1 1 1    5    2   29 f  1433.25   34.818   53.543   2.4094   54.500   2.9542   51.641   4.1642  1453.79   39.525  1412.71   57.333 41.07471 69.63672 
1 1 1    5    2   31 o  1147.30   35.693   34.940   1.9605   36.718   2.4080   31.445   3.3766  1193.05   39.258  1101.54   59.622 91.50818 71.38566 
1 1 1    5    2   33 o  310.468   43.918   2.5872   0.6760   2.6634   0.9801   2.5181   0.9336  314.821   62.756  306.115   61.458 8.705688 87.83694 
1 1 1    5    2   35 o  1055.07   40.678   28.925   2.2057   29.880   3.1230   27.974   3.1158  1072.63   56.630  1037.51   58.412 35.12122 81.35663 
1 1 1    5    2   37 o  326.691   42.025   3.1920   0.6226   3.8287   0.7667   1.9596   1.0667  384.649   38.770  268.733   74.574 115.9155 84.05033 
1 1 1    5    2   39 o  909.285   37.001   22.344   1.5961   23.745   1.9540   19.537   2.7667  956.642   39.729  861.929   62.434 94.71289 74.00280 
1 1 1    5    2   41 o  919.453   29.251   22.015   1.3822   21.233   1.9499   22.805   1.9595  902.863   42.007  936.042   40.717 -33.17883 58.50139 
1 1 1    5    2   43 o  879.797   41.944   20.579   1.8896   22.956   2.7026   18.306   2.6430  930.876   56.471  828.719   62.034 102.1573 83.88756 
1 1 1    5    2   45 o  640.489   35.655   10.481   1.1179   12.142   1.9536   9.6720   1.3632  674.518   56.334  606.460   43.721 68.05707 71.30939 
1 1 1    5    2   47 o  688.788   30.381   12.590   1.0664   10.706   1.5060   14.485   1.5103  635.459   46.097  742.118   39.585 -106.6589 60.76100 
1 1 1    5    2   49 o  739.452   30.080   14.497   1.1433   14.911   1.6252   14.092   1.6088  750.104   42.141  728.799   42.935 21.30573 60.16082 
1 1 1    5    2   51 o  585.573   37.046   8.8727   1.0643   10.751   1.8625   7.9620   1.2968  626.135   57.858  545.011   46.281 81.12427 74.09160 
1 1 1    5    2   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    2   55 f  164.220   37.512   0.7694   0.3752   0.3334   0.6658   0.9723   0.4543  143.328   58.074  185.112   47.497 -41.78413 75.02369 
1 1 1    5    2   57 o  237.402   37.173   1.6347   0.4601   1.0348   0.6433   2.2631   0.6584  188.017   59.441  286.787   44.655 -98.77002 74.34570 
1 1 1    5    2   59 o  189.051   35.234   1.0753   0.3788   0.5018   0.5553   1.5743   0.5180  143.718   54.541  234.384   44.619 -90.66647 70.46720 
1 1 1    5    3    0 o  248.625   84.074   2.0593   0.9617   0.0000   0.0000   2.0593   0.9617  248.625   84.074  248.625   84.074 -0.000000 0.000000 
1 1 1    5    3    2 o  1729.99   29.018   77.102   2.5804   75.393   3.6039   78.898   3.6962  1710.35   40.985  1749.64   41.090 -39.29321 58.03574 
1 1 1    5    3    4 o  214.599   29.611   1.2302   0.3147   1.2933   0.4393   1.1636   0.4511  220.609   40.213  208.589   43.478 12.02013 59.22300 
1 1 1    5    3    6 o  2619.62   33.074  178.348   4.1739  180.904   5.1016  173.173   7.2592  2649.85   37.447  2589.40   54.528 60.45361 66.14812 
1 1 1    5    3    8 o  1048.24   32.231   28.028   1.6537   27.344   2.0351   29.358   2.8376  1030.13   38.426  1066.35   51.758 -36.21973 64.46235 
1 1 1    5    3   10 o  1820.25   54.464   85.595   5.0969   85.595   5.0969   0.0000   0.0000  1820.25   54.464  ?   ?       ?      ? 
1 1 1    5    3   12 o  1948.66   38.206   98.129   3.8266  101.079   5.4262   95.210   5.3973  1977.92   53.360  1919.39   54.694 58.52881 76.41179 
1 1 1    5    3   14 o  2336.58   33.637  142.220   3.8011  144.708   4.6673  137.319   6.5501  2369.07   38.319  2304.08   55.294 64.99097 67.27430 
1 1 1    5    3   16 o  913.157   33.687   21.632   1.4932   21.783   1.8352   21.335   2.5683  918.783   38.850  907.532   55.045 11.25110 67.37416 
1 1 1    5    3   18 o  1029.12   32.069   27.648   1.4692   27.883   1.7008   26.955   2.9163  1039.67   31.820  1018.58   55.688 21.08630 64.13769 
1 1 1    5    3   20 o  710.006   31.926   13.035   1.0153   13.015   1.1760   13.094   2.0120  710.201   32.209  709.810   55.134 0.3914795 63.85252 
1 1 1    5    3   22 f  596.898   55.994   9.2401   1.7184   9.2401   1.7184   0.0000   0.0000  596.898   55.994  ?   ?       ?      ? 
1 1 1    5    3   24 o  995.296   34.506   25.862   1.6590   26.409   2.0368   24.783   2.8595  1011.97   39.148  978.618   56.834 33.35651 69.01225 
1 1 1    5    3   26 o  2037.79   31.116  102.962   2.8768   98.583   3.3232  116.052   5.7460  1956.32   33.041  2119.26   52.736 -162.9407 62.23174 
1 1 1    5    3   28 o  1003.88   32.191   25.715   1.4492   25.414   1.6751   26.612   2.8894  993.268   32.802  1014.48   55.398 -21.21484 64.38105 
1 1 1    5    3   30 o  1862.82   32.680   89.943   2.7137   90.281   3.1393   88.945   5.3980  1871.90   32.619  1853.75   56.639 18.14917 65.36067 
1 1 1    5    3   32 o  1501.65   35.343   59.501   2.5516   61.847   3.1352   54.899   4.3910  1548.13   39.390  1455.17   58.693 92.95715 70.68555 
1 1 1    5    3   34 f  714.748   57.381   13.262   2.1086   13.262   2.1086   0.0000   0.0000  714.748   57.381  ?   ?       ?      ? 
1 1 1    5    3   36 o  841.228   33.660   17.460   1.3924   15.535   1.6987   21.402   2.4309  774.695   42.649  907.761   52.087 -133.0657 67.32068 
1 1 1    5    3   38 o  118.175   31.494   0.2454   0.2723   0.4166   0.3548   0.0000   0.4248  131.210   44.306  105.140   44.772 26.07014 62.98819 
1 1 1    5    3   40 o  940.709   35.451   23.058   1.6193   22.906   1.9853   23.362   2.7990  938.627   41.141  942.792   57.746 -4.165344 70.90224 
1 1 1    5    3   42 o  579.315   38.330   9.2686   1.0444   10.063   1.2806   7.6909   1.8049  621.396   40.083  537.233   65.346 84.16315 76.66036 
1 1 1    5    3   44 o  325.791   44.768   2.8652   0.7334   3.4257   1.0913   2.4035   0.9904  358.302   59.239  293.279   67.136 65.02261 89.53511 
1 1 1    5    3   46 o  929.550   29.965   22.768   1.4274   20.528   2.0033   25.079   2.0344  882.116   44.172  976.985   40.502 -94.86884 59.92973 
1 1 1    5    3   48 o  614.972   36.487   9.8841   1.0950   10.971   1.9091   9.3510   1.3368  635.969   58.388  593.976   43.775 41.99231 72.97478 
1 1 1    5    3   50 o  340.357   41.753   3.2833   0.6628   3.0155   1.1428   3.4191   0.8137  322.479   70.862  358.236   44.180 -35.75693 83.50614 
1 1 1    5    3   52 f  372.932   68.151   4.0229   1.2585   0.0000   0.0000   4.0229   1.2585  ?   ?   372.932   68.151      ?      ? 
1 1 1    5    3   54 f  285.444   43.492   2.5818   0.6021   1.6386   1.0423   3.0543   0.7377  234.134   75.835  336.755   42.607 -102.6209 86.98427 
1 1 1    5    3   56 o  265.800   37.380   2.0193   0.4920   2.2719   0.7260   1.8048   0.6690  281.865   52.015  249.736   53.700 32.12912 74.76079 
1 1 1    5    3   58 o  261.108   36.359   1.9883   0.4703   1.8765   0.6740   2.0943   0.6567  252.520   53.573  269.696   49.171 -17.17534 72.71756 
1 1 1    5    4    1 o  430.661   35.650   3.9462   0.6893   2.3620   0.8078   8.1899   1.3222  297.789   54.783  563.533   45.635 -265.7438 71.30031 
1 1 1    5    4    3 o  1243.10   38.168   40.044   2.2018   40.231   2.6074   39.579   4.1109  1249.40   40.591  1236.79   64.650 12.60657 76.33611 
1 1 1    5    4    5 o  2180.55   34.825  123.505   3.6055  124.836   4.3478  120.574   6.4514  2201.12   38.420  2159.99   58.094 41.13110 69.64967 
1 1 1    5    4    7 o  2499.97   32.758  161.092   3.9764  160.835   4.8776  161.599   6.8664  2498.43   37.973  2501.52   53.389 -3.090088 65.51601 
1 1 1    5    4    9 o  1270.35   54.769   41.691   3.5770   41.691   3.5770   0.0000   0.0000  1270.35   54.769  ?   ?       ?      ? 
1 1 1    5    4   11 o  2551.34   38.021  168.164   4.9855  174.255   7.0876  162.199   7.0140  2597.23   53.079  2505.46   54.451 91.77783 76.04138 
1 1 1    5    4   13 f  2280.88   32.851  132.889   3.6639  129.863   4.5056  138.796   6.2955  2244.33   39.048  2317.42   52.839 -73.08838 65.70143 
1 1 1    5    4   15 o  862.555   31.753   19.349   1.2209   19.487   1.4136   18.943   2.4223  869.669   31.615  855.440   55.077 14.22839 63.50609 
1 1 1    5    4   17 o  1460.24   31.954   55.594   2.0794   56.038   2.4079   54.291   4.1234  1474.14   31.772  1446.35   55.451 27.78870 63.90838 
1 1 1    5    4   19 o  936.632   31.384   22.355   1.3249   21.974   1.5339   23.474   2.6291  922.770   32.331  950.494   53.801 -27.72333 62.76817 
1 1 1    5    4   21 o  466.021   33.779   5.5366   0.7686   5.3553   0.9416   5.8985   1.3305  455.256   40.228  476.785   54.276 -21.52899 67.55848 
1 1 1    5    4   23 o  1026.12   39.495   27.164   2.0836   27.164   2.0836   0.0000   0.0000  1026.12   39.495  ?   ?       ?      ? 
1 1 1    5    4   25 o  166.989   32.109   0.6847   0.2583   0.6121   0.3012   0.8865   0.5019  151.215   38.612  182.764   51.312 -31.54904 64.21703 
1 1 1    5    4   27 o  541.946   34.506   8.0582   0.8130   8.5375   0.9442   6.6838   1.5988  575.752   31.896  508.141   61.200 67.61066 69.01294 
1 1 1    5    4   29 o  653.170   32.918   11.144   0.9580   11.277   1.1103   10.756   1.8952  661.616   32.640  644.724   57.176 16.89240 65.83667 
1 1 1    5    4   31 o  2639.62   31.956  176.153   3.8022  172.191   4.3961  187.917   7.5753  2584.85   33.080  2694.39   54.685 -109.5449 63.91198 
1 1 1    5    4   33 o  825.951   57.293   17.693   2.4329   17.693   2.4329   0.0000   0.0000  825.951   57.293  ?   ?       ?      ? 
1 1 1    5    4   35 o  311.948   43.047   2.5867   0.6745   3.1468   0.9693   2.0608   0.9393  348.199   54.145  275.698   66.937 72.50085 86.09417 
1 1 1    5    4   37 o  1045.80   35.624   28.841   1.7962   29.651   2.2064   27.250   3.0928  1070.07   40.105  1021.53   58.889 48.54315 71.24864 
1 1 1    5    4   39 o  622.366   35.633   10.107   1.0812   10.100   1.3332   10.119   1.8482  623.585   41.585  621.147   57.874 2.438171 71.26510 
1 1 1    5    4   41 o  661.855   36.226   11.525   1.1607   11.601   1.4238   11.374   2.0041  667.386   41.495  656.323   59.393 11.06299 72.45272 
1 1 1    5    4   43 o  598.852   59.520   9.5378   1.8325   9.5378   1.8325   0.0000   0.0000  598.852   59.520  ?   ?       ?      ? 
1 1 1    5    4   45 o  1070.08   42.213   30.731   2.3212   29.771   3.2923   31.680   3.2730  1052.59   60.838  1087.57   58.536 -34.98132 84.42565 
1 1 1    5    4   47 o  453.366   38.337   5.5602   0.8335   5.3828   1.4533   5.6472   1.0174  444.328   63.620  462.404   42.795 -18.07584 76.67468 
1 1 1    5    4   49 o  699.277   37.822   13.156   1.2723   13.325   2.2309   13.075   1.5488  696.630   62.289  701.924   42.919 -5.293762 75.64312 
1 1 1    5    4   51 o  141.894   30.112   0.5035   0.2651   0.8653   0.3720   0.1301   0.3779  177.017   41.577  106.771   43.568 70.24567 60.22365 
1 1 1    5    4   53 f  466.869   37.438   5.4995   0.8559   4.4738   1.0349   7.7186   1.5223  405.343   49.661  528.395   56.036 -123.0521 74.87503 
1 1 1    5    4   55 o  362.580   36.096   3.7479   0.6335   2.8039   0.9109   4.6321   0.8816  310.912   59.145  414.249   41.393 -103.3369 72.19129 
1 1 1    5    4   57 o  140.594   34.836   0.5131   0.3167   0.3454   0.4867   0.6362   0.4171  130.091   50.621  151.098   47.872 -21.00629 69.67238 
1 1 1    5    4   59 o  150.097   35.490   0.6280   0.3226   0.7174   0.4686   0.5474   0.4448  157.924   50.816  142.270   49.558 15.65440 70.98012 
1 1 1    5    5    0 o  1258.36   35.746   40.565   2.2441   42.786   3.6515   39.217   2.8447  1285.01   55.506  1231.71   45.059 0.000000 0.000000 
1 1 1    5    5    2 f  1144.97   29.380   33.782   1.7292   32.997   2.4245   34.594   2.4669  1131.42   41.681  1158.51   41.417 -27.08386 58.75949 
1 1 1    5    5    4 o  770.859   28.558   15.333   1.1304   15.925   1.5820   14.717   1.6158  786.125   39.143  755.594   41.594 30.53125 57.11634 
1 1 1    5    5    6 o  842.192   27.463   18.284   1.1886   18.533   1.6632   18.024   1.6993  848.097   38.144  836.286   39.523 11.81079 54.92686 
1 1 1    5    5    8 o  1004.84   33.685   26.421   1.6273   24.994   2.8213   27.132   1.9920  983.527   55.795  1026.15   37.758 -42.62231 67.37045 
1 1 1    5    5   10 o  2731.08   38.128  192.215   5.3536  192.215   5.3536   0.0000   0.0000  2731.08   38.128  ?   ?       ?      ? 
1 1 1    5    5   12 o  807.159   32.482   16.527   1.2860   15.895   1.5818   17.759   2.2087  785.210   39.183  829.108   51.816 -43.89801 64.96311 
1 1 1    5    5   14 o  1423.47   32.968   51.915   2.2909   51.025   2.8156   53.659   3.9406  1406.57   38.935  1440.37   53.214 -33.80505 65.93679 
1 1 1    5    5   16 o  780.611   33.360   15.706   1.2671   15.592   1.5557   15.931   2.1840  777.187   38.933  784.034   54.182 -6.847168 66.71948 
1 1 1    5    5   18 o  2049.02   34.050  109.963   3.3715  112.259   4.1413  105.450   5.8057  2084.11   38.650  2013.94   56.071 70.16418 68.10098 
1 1 1    5    5   20 o  527.806   34.999   7.4402   0.8833   7.8698   1.0862   6.6012   1.5177  551.888   38.280  503.725   58.604 48.16315 69.99873 
1 1 1    5    5   22 o  1248.45   39.467   40.230   2.5332   40.230   2.5332   0.0000   0.0000  1248.45   39.467  ?   ?       ?      ? 
1 1 1    5    5   24 o  846.909   33.844   18.376   1.3979   18.066   1.7165   18.986   2.4090  836.992   39.890  856.826   54.685 -19.83392 67.68797 
1 1 1    5    5   26 o  1245.78   33.131   41.255   1.8205   42.471   2.1094   37.709   3.6035  1284.15   31.951  1207.40   58.049 76.74841 66.26143 
1 1 1    5    5   28 o  1439.37   32.210   53.259   2.0790   53.036   2.4075   53.912   4.1230  1434.89   32.635  1443.86   55.542 -8.972656 64.41956 
1 1 1    5    5   30 o  326.128   40.833   3.5080   0.5476   4.2188   0.6416   1.6001   1.0511  404.692   30.836  247.564   75.621 157.1278 81.66646 
1 1 1    5    5   32 o  1069.03   34.923   29.753   1.8097   30.153   2.2251   28.969   3.1106  1080.86   40.041  1057.20   57.230 23.66675 69.84635 
1 1 1    5    5   34 o  811.578   35.312   17.188   1.3894   17.452   1.7095   16.673   2.3847  821.902   40.457  801.255   57.889 20.64764 70.62461 
1 1 1    5    5   36 o  840.002   32.985   18.197   1.2418   18.094   1.4375   18.499   2.4653  837.114   33.401  842.890   56.888 -5.776611 65.96912 
1 1 1    5    5   38 o  157.143   36.287   0.6048   0.3239   0.5699   0.3980   0.6734   0.5575  148.806   46.713  165.481   55.542 -16.67471 72.57388 
1 1 1    5    5   40 o  364.357   44.541   3.5733   0.8110   3.1273   1.1476   4.0184   1.1463  337.716   68.438  390.998   57.025 -53.28192 89.08215 
1 1 1    5    5   42 f  618.144   42.099   10.122   1.3357   9.3590   1.8637   10.928   1.9154  593.721   61.056  642.567   57.978 -48.84644 84.19781 
1 1 1    5    5   44 o  385.068   63.414   3.9819   1.2554   3.9819   1.2554   0.0000   0.0000  385.068   63.414  ?   ?       ?      ? 
1 1 1    5    5   46 o  633.537   35.219   10.156   1.1014   8.9610   1.3497   12.538   1.9053  582.337   45.080  684.737   54.122 -102.4002 70.43747 
1 1 1    5    5   48 o  522.575   30.398   7.2593   0.8113   6.3077   1.1450   8.2185   1.1496  487.045   45.727  558.105   40.065 -71.05978 60.79594 
1 1 1    5    5   50 o  482.960   31.408   6.2206   0.7796   6.1562   1.1123   6.2829   1.0931  480.252   45.048  485.669   43.777 -5.417328 62.81515 
1 1 1    5    5   52 o  419.797   64.912   4.9520   1.4010   0.0000   0.0000   4.9520   1.4010  ?   ?   419.797   64.912      ?      ? 
1 1 1    5    5   54 o  394.931   45.466   4.5635   0.8296   4.2820   1.4443   4.7021   1.0135  374.497   77.565  415.366   47.457 -40.86838 90.93143 
1 1 1    5    5   56 o  125.685   33.195   0.3546   0.2882   0.3399   0.3999   0.3704   0.4157  123.855   46.443  127.516   47.442 -3.661682 66.39019 
1 1 1    5    5   58 o  366.159   34.932   3.7842   0.6557   3.4451   0.9177   4.1380   0.9373  348.132   51.275  384.186   47.453 -36.05356 69.86356 
1 1 1    5    6    1 o  2227.02   27.409  127.361   3.1149  124.378   4.1377  131.262   4.7322  2197.31   36.627  2256.73   40.786 -59.41528 54.81793 
1 1 1    5    6    3 o  877.424   29.056   19.855   1.3100   20.369   1.8384   19.325   1.8671  889.017   40.222  865.831   41.943 23.18622 58.11181 
1 1 1    5    6    5 o  729.181   28.145   13.696   1.0548   13.403   1.4706   14.006   1.5138  721.164   39.665  737.198   39.940 -16.03479 56.28968 
1 1 1    5    6    7 o  434.435   38.721   4.8944   0.8589   4.2172   1.2104   5.5812   1.2189  403.907   58.287  464.964   50.988 -61.05716 77.44100 
1 1 1    5    6    9 o  1916.23   33.280   94.785   3.0763   94.858   3.7517   94.635   5.3748  1918.60   38.034  1913.86   54.624 4.741577 66.56044 
1 1 1    5    6   11 o  251.518   33.616   1.6221   0.4057   1.8037   0.7000   1.5302   0.4978  259.403   54.230  243.632   39.739 15.77086 67.23179 
1 1 1    5    6   13 o  761.199   27.268   14.948   1.0663   15.661   1.5090   14.237   1.5069  779.392   37.658  743.007   39.448 36.38507 54.53658 
1 1 1    5    6   15 o  1502.09   27.399   58.228   2.1154   56.660   2.9873   59.805   2.9960  1481.74   39.214  1522.44   38.276 -40.70691 54.79771 
1 1 1    5    6   17 o  1933.88   33.438   96.666   3.1437   96.244   3.8591   97.499   5.4201  1929.98   38.892  1937.78   54.404 -7.804321 66.87651 
1 1 1    5    6   19 o  930.268   32.982   21.884   1.5046   20.718   1.8450   24.200   2.6000  895.120   40.091  965.416   52.383 -70.29645 65.96391 
1 1 1    5    6   21 o  740.881   55.561   14.239   2.1164   14.239   2.1164   0.0000   0.0000  740.881   55.561  ?   ?       ?      ? 
1 1 1    5    6   23 o  512.836   34.224   6.8070   0.8519   6.8320   1.0459   6.7577   1.4681  514.665   39.529  511.007   55.881 3.658173 68.44871 
1 1 1    5    6   25 o  674.200   33.449   11.383   1.1071   10.628   1.3558   12.895   1.9177  641.973   41.077  706.427   52.801 -64.45337 66.89777 
1 1 1    5    6   27 o  2369.18   32.414  145.719   3.4260  146.602   3.9669  143.126   6.7958  2385.74   32.342  2352.63   56.185 33.11401 64.82829 
1 1 1    5    6   29 o  1853.80   32.467   88.901   2.6891   89.077   3.1130   88.385   5.3380  1859.44   32.563  1848.16   56.179 11.27515 64.93407 
1 1 1    5    6   31 o  1313.91   31.515   42.744   1.8792   40.807   2.1701   48.549   3.7573  1258.23   33.547  1369.59   53.360 -111.3573 63.02945 
1 1 1    5    6   33 o  787.823   40.588   16.030   1.6440   16.030   1.6440   0.0000   0.0000  787.823   40.588  ?   ?       ?      ? 
1 1 1    5    6   35 o  1406.12   35.395   51.836   2.4068   53.005   2.9601   49.555   4.1346  1431.93   40.208  1380.31   58.262 51.61560 70.78900 
1 1 1    5    6   37 o  365.524   35.948   3.3997   0.6456   3.2265   0.7940   3.7378   1.1093  352.661   43.791  378.386   57.021 -25.72491 71.89616 
1 1 1    5    6   39 o  430.939   42.025   4.8933   0.9251   4.2417   1.3012   5.5595   1.3156  401.251   63.074  460.627   55.554 -59.37558 84.05081 
1 1 1    5    6   41 o  175.423   38.596   0.7697   0.4207   0.2480   0.6190   1.2176   0.5735  139.611   56.195  211.235   52.922 -71.62389 77.19186 
1 1 1    5    6   43 o  591.397   59.751   9.3141   1.8167   9.3141   1.8167   0.0000   0.0000  591.397   59.751  ?   ?       ?      ? 
1 1 1    5    6   45 o  570.799   43.697   8.7699   1.2796   9.5592   1.8381   8.0275   1.7825  596.475   59.938  545.122   63.603 51.35254 87.39488 
1 1 1    5    6   47 o  139.428   33.415   0.4946   0.2865   0.6012   0.3504   0.2798   0.4977  149.133   43.208  129.722   50.984 19.41130 66.83030 
1 1 1    5    6   49 o  261.452   40.781   1.9379   0.5148   2.0278   0.6272   1.7523   0.9010  276.089   44.189  246.815   68.554 29.27446 81.56189 
1 1 1    5    6   51 o  316.153   34.776   2.7234   0.5476   3.2069   0.7950   2.2868   0.7554  346.183   44.665  286.124   53.316 60.05859 69.55250 
1 1 1    5    6   53 o  873.238   38.695   21.241   1.6277   21.687   2.0019   20.372   2.7962  898.019   43.359  848.456   64.103 49.56287 77.38962 
1 1 1    5    6   55 o  238.270   35.641   1.6087   0.4330   1.1555   0.6051   2.0843   0.6198  199.516   56.454  277.025   43.520 -77.50862 71.28127 
1 1 1    5    6   57 o  414.107   32.700   4.7457   0.6956   4.9256   1.0101   4.5834   0.9592  421.308   46.633  406.906   45.853 14.40173 65.39967 
1 1 1    5    6   59 o  307.079   37.335   2.7456   0.5728   2.3410   0.7848   3.2068   0.8378  278.556   56.725  335.602   48.559 -57.04514 74.67020 
1 1 1    5    7    0 o  151.528   58.959   0.8092   0.4378   0.0000   0.0000   0.8092   0.4378  151.528   58.959  151.528   58.959 -0.000000 0.000000 
1 1 1    5    7    2 o  2487.73   29.467  159.601   3.7672  155.633   5.3565  163.484   5.2993  2457.00   42.404  2518.46   40.927 -61.45898 58.93340 
1 1 1    5    7    4 o  1486.43   33.500   56.982   2.4801   57.091   4.0455   56.917   3.1392  1486.89   52.921  1485.96   41.091 0.9331055 67.00074 
1 1 1    5    7    6 o  1035.64   38.118   27.717   2.0282   28.814   2.8646   26.614   2.8722  1056.30   52.748  1014.98   55.041 41.32367 76.23516 
1 1 1    5    7    8 o  3000.29   27.208  231.819   4.1953  223.313   5.8516  240.815   6.0180  2943.67   38.665  3056.92   38.291 -113.2493 54.41670 
1 1 1    5    7   10 o  1451.80   37.947   54.472   2.8309   52.298   3.9927   56.669   4.0145  1422.53   54.592  1481.06   52.722 -58.52576 75.89394 
1 1 1    5    7   12 o  391.741   27.188   3.9567   0.5476   3.9960   0.7746   3.9174   0.7741  393.690   38.271  389.792   38.627 3.897858 54.37600 
1 1 1    5    7   14 o  2096.23   27.268  113.366   2.9383  115.635   4.1614  111.111   4.1496  2117.20   38.230  2075.25   38.892 41.95459 54.53562 
1 1 1    5    7   16 o  501.347   27.924   6.5332   0.7122   5.4350   1.0042   7.6451   1.0104  458.481   42.600  544.212   36.113 -85.73135 55.84716 
1 1 1    5    7   18 o  897.462   27.599   20.823   1.2733   20.508   1.7988   21.139   1.8028  890.632   39.283  904.293   38.777 -13.66089 55.19776 
1 1 1    5    7   20 o  338.159   41.539   3.0497   0.6958   3.7211   0.9898   2.3937   0.9783  378.898   50.809  297.420   65.729 81.47852 83.07755 
1 1 1    5    7   22 o  536.163   39.595   7.4622   1.0861   8.3583   1.5431   6.5824   1.5290  568.357   52.808  503.969   59.013 64.38834 79.19079 
1 1 1    5    7   24 o  1146.01   34.485   34.338   1.9119   35.212   2.3536   32.642   3.2785  1168.65   39.171  1123.37   56.766 45.28308 68.96948 
1 1 1    5    7   26 o  1433.84   34.610   53.616   2.3977   54.690   2.9434   51.500   4.1339  1456.50   39.306  1411.17   56.978 45.32983 69.22058 
1 1 1    5    7   28 o  1441.90   34.368   53.693   2.4078   53.684   2.9567   53.709   4.1486  1442.84   39.859  1440.95   55.999 1.880981 68.73532 
1 1 1    5    7   30 o  960.612   34.525   23.750   1.6117   23.547   1.9755   24.152   2.7871  955.346   40.220  965.878   56.126 -10.53253 69.04917 
1 1 1    5    7   32 o  648.315   57.960   10.899   1.9319   10.899   1.9319   0.0000   0.0000  648.315   57.960  ?   ?       ?      ? 
1 1 1    5    7   34 o  1517.52   35.021   59.750   2.5803   59.947   3.1695   59.364   4.4434  1523.16   40.474  1511.88   57.164 11.28210 70.04211 
1 1 1    5    7   36 o  316.459   40.134   2.7669   0.5838   2.9520   0.7084   2.3751   1.0307  337.685   40.805  295.233   69.122 42.45193 80.26788 
1 1 1    5    7   38 o  569.219   33.953   8.4480   0.8597   8.4584   0.9934   8.4169   1.7160  571.772   33.792  566.665   58.901 5.107056 67.90588 
1 1 1    5    7   40 o  1334.52   33.713   46.828   2.0020   47.136   2.3173   45.923   3.9753  1348.69   33.419  1320.34   58.562 28.34839 67.42619 
1 1 1    5    7   42 o  476.468   38.916   6.2667   0.8715   6.7602   1.0659   5.2712   1.5139  508.961   40.734  443.974   66.322 64.98724 77.83248 
1 1 1    5    7   44 o  397.859   43.005   4.2443   0.8781   4.5500   1.2478   3.9444   1.2360  412.585   58.824  383.134   62.749 29.45123 86.00967 
1 1 1    5    7   46 o  272.161   40.682   2.0209   0.5325   1.9234   0.6617   2.2002   0.8973  264.806   50.442  279.517   63.842 -14.71039 81.36481 
1 1 1    5    7   48 o  250.740   40.209   1.8937   0.5092   2.3063   0.6347   1.1488   0.8528  295.216   41.818  206.264   68.689 88.95155 80.41737 
1 1 1    5    7   50 o  552.353   37.303   8.1340   1.0064   7.8539   1.2356   8.6862   1.7350  542.589   44.293  562.118   60.034 -19.52844 74.60500 
1 1 1    5    7   52 o   95.615   41.023   0.0000   0.3615   0.0000   0.3615   0.0000   0.0000   95.615   41.023  ?   ?       ?      ? 
1 1 1    5    7   54 o  184.510   40.180   0.8666   0.3996   1.3228   0.7115   0.6564   0.4830  212.836   61.539  156.184   51.677 56.65172 80.35902 
1 1 1    5    7   56 o  182.025   33.116   0.9306   0.3453   1.5143   0.4907   0.3584   0.4859  232.702   42.587  131.347   50.725 101.3546 66.23186 
1 1 1    5    7   58 o  647.576   32.680   11.788   1.0736   9.6983   1.5109   13.920   1.5258  584.448   50.282  710.704   41.757 -126.2560 65.36045 
1 1 1    5    8    1 o  831.404   31.760   17.899   1.3510   16.915   1.9759   18.763   1.8515  809.698   47.464  853.110   42.213 -43.41241 63.51956 
1 1 1    5    8    3 f  2776.15   37.783  199.140   5.3894  195.648   7.7163  202.466   7.5306  2752.11   54.535  2800.19   52.308 -48.08276 75.56604 
1 1 1    5    8    5 o  451.350   32.648   5.1202   0.7330   4.7569   0.9130   5.7789   1.2294  429.564   41.342  473.135   50.541 -43.57120 65.29580 
1 1 1    5    8    7 o  1212.77   27.721   37.928   1.7271   38.527   2.4070   37.293   2.4795  1222.70   38.290  1202.83   40.096 19.87524 55.44164 
1 1 1    5    8    9 o  1094.72   33.773   31.016   1.7694   31.162   2.1446   30.704   3.1315  1099.59   37.935  1089.85   55.888 9.735352 67.54626 
1 1 1    5    8   11 o  812.577   27.068   17.025   1.1306   17.296   1.5931   16.751   1.6048  819.115   37.828  806.039   38.726 13.07544 54.13583 
1 1 1    5    8   13 o  1047.35   27.097   28.295   1.4590   28.698   2.0632   27.892   2.0634  1054.84   38.043  1039.86   38.596 14.97498 54.19375 
1 1 1    5    8   15 o  1031.32   27.334   27.480   1.4477   29.048   2.0510   25.924   2.0437  1060.77   37.608  1001.86   39.678 58.91571 54.66852 
1 1 1    5    8   17 o  1990.03   27.477  102.368   2.8112  102.086   3.9801  102.649   3.9713  1987.26   38.955  1992.79   38.761 -5.528931 54.95404 
1 1 1    5    8   19 o  452.390   34.814   5.4055   0.7561   5.0145   1.3064   5.6025   0.9272  439.140   57.862  465.640   38.729 -26.50024 69.62713 
1 1 1    5    8   21 o  957.622   55.522   23.761   2.7336   23.761   2.7336   0.0000   0.0000  957.622   55.522  ?   ?       ?      ? 
1 1 1    5    8   23 o  1133.75   33.856   33.093   1.8714   32.877   2.3026   33.515   3.2118  1129.12   39.665  1138.38   54.878 -9.256958 67.71194 
1 1 1    5    8   25 o  2719.70   34.507  193.404   4.5361  198.368   5.5793  183.725   7.7912  2773.97   39.121  2665.43   56.855 108.5332 69.01350 
1 1 1    5    8   27 o  184.595   43.873   0.9146   0.4103   0.9146   0.4103   0.0000   0.0000  184.595   43.873  ?   ?       ?      ? 
1 1 1    5    8   29 o  1121.36   35.407   33.336   1.9006   34.966   2.3328   30.118   3.2780  1164.38   38.968  1078.34   59.127 86.03430 70.81309 
1 1 1    5    8   31 o  537.513   41.400   7.5215   1.1255   9.3023   1.6231   5.8720   1.5621  599.494   52.661  475.532   63.896 123.9616 82.79967 
1 1 1    5    8   33 o  1387.99   40.301   50.020   2.8751   49.052   4.0863   50.970   4.0460  1374.48   57.826  1401.51   56.151 -27.01965 80.60287 
1 1 1    5    8   35 o  732.037   33.854   13.115   1.2160   11.487   1.4774   16.535   2.1408  666.132   43.140  797.942   52.185 -131.8104 67.70747 
1 1 1    5    8   37 o  578.620   32.151   8.2750   0.8436   7.8370   0.9725   9.6062   1.6955  550.493   34.362  606.747   54.352 -56.25391 64.30299 
1 1 1    5    8   39 o  233.651   36.809   1.8567   0.4138   2.2838   0.4732   0.4698   0.8528  297.125   30.978  170.177   66.784 126.9471 73.61898 
1 1 1    5    8   41 o  303.245   40.750   3.3747   0.5582   4.3637   0.6546   0.7397   1.0685  410.366   31.027  196.124   75.362 214.2421 81.49939 
1 1 1    5    8   43 o  1273.06   41.472   42.416   2.7144   42.416   2.7144   0.0000   0.0000  1273.06   41.472  ?   ?       ?      ? 
1 1 1    5    8   45 o  131.217   36.012   0.2288   0.3544   0.5496   0.5493   0.0000   0.4639  153.567   54.931  108.867   46.583 44.69954 72.02325 
1 1 1    5    8   47 o  547.259   37.693   7.9963   0.9971   7.9037   1.2172   8.1851   1.7384  546.460   43.324  548.059   61.694 -1.599121 75.38609 
1 1 1    5    8   49 o  356.326   36.676   3.2228   0.6411   2.7958   0.7787   4.1218   1.1298  323.379   46.835  389.273   56.454 -65.89429 73.35240 
1 1 1    5    8   51 f  281.400   42.680   2.3636   0.5733   2.6134   0.6968   1.8404   1.0085  312.720   43.340  250.079   73.540 62.64140 85.36063 
1 1 1    5    8   53 o  215.851   33.947   1.1303   0.3912   0.4994   0.4904   2.2343   0.6487  143.796   51.852  287.907   43.828 -144.1111 67.89326 
1 1 1    5    8   55 o  311.733   37.217   2.7778   0.5580   4.0563   0.8170   1.6596   0.7640  387.342   41.026  236.124   62.106 151.2180 74.43322 
1 1 1    5    8   57 o  424.812   32.681   5.0189   0.7121   4.6658   1.0090   5.3694   1.0052  408.641   48.026  440.983   44.336 -32.34241 65.36239 
1 1 1    5    9    0 o  378.446   43.536   3.8169   0.7591   3.3502   0.9492   4.6449   1.2643  346.942   58.113  409.950   64.842 0.000000 0.000000 
1 1 1    5    9    2 o  2377.09   35.040  145.375   4.2105  143.320   5.4583  148.394   6.6167  2357.25   45.038  2396.93   53.693 -39.67603 70.08079 
1 1 1    5    9    4 o  1212.81   33.174   37.657   2.0096   36.750   2.5411   39.172   3.2832  1193.96   41.397  1231.67   51.849 -37.71521 66.34758 
1 1 1    5    9    6 o  2035.84   28.219  106.738   2.9523  103.457   4.1015  110.266   4.2529  2003.41   39.820  2068.26   39.996 -64.85461 56.43825 
1 1 1    5    9    8 o  332.150   36.141   2.8536   0.5526   2.7932   0.6602   2.9950   1.0099  329.180   39.007  335.121   60.854 -5.940186 72.28241 
1 1 1    5    9   10 o  400.726   34.629   4.3085   0.6628   3.6843   1.1290   4.6369   0.8188  377.329   58.196  424.124   37.549 -46.79468 69.25824 
1 1 1    5    9   12 o  931.014   27.127   22.355   1.2984   22.116   1.8310   22.596   1.8415  926.008   38.459  936.019   38.267 -10.01080 54.25309 
1 1 1    5    9   14 o  777.977   27.177   15.625   1.0870   15.722   1.5358   15.526   1.5387  780.428   38.278  775.527   38.591 4.900330 54.35464 
1 1 1    5    9   16 o  992.938   27.395   25.502   1.3968   24.049   1.9752   26.955   1.9756  964.482   39.833  1021.39   37.621 -56.91144 54.79043 
1 1 1    5    9   18 o  926.172   27.508   22.170   1.3098   22.243   1.8531   22.097   1.8517  927.701   38.853  924.642   38.951 3.058594 55.01528 
1 1 1    5    9   20 o  1770.83   39.083   80.959   3.5583   80.959   3.5583   0.0000   0.0000  1770.83   39.083  ?   ?       ?      ? 
1 1 1    5    9   22 o  1625.78   33.772   67.782   2.6718   69.788   4.6219   66.775   3.2743  1642.49   54.733  1609.06   39.580 33.43835 67.54461 
1 1 1    5    9   24 o  697.394   28.243   12.562   1.0088   11.245   1.4197   13.904   1.4338  660.326   41.820  734.462   37.970 -74.13519 56.48591 
1 1 1    5    9   26 o  1985.84   28.070  101.677   2.8658  101.164   4.0560  102.189   4.0497  1980.82   39.828  1990.87   39.565 -10.04980 56.13958 
1 1 1    5    9   28 o  435.192   35.519   5.0191   0.7416   5.2685   0.9122   4.5328   1.2736  451.991   39.254  418.392   59.208 33.59958 71.03822 
1 1 1    5    9   30 o  311.636   37.094   2.5405   0.5448   2.5107   0.6650   2.6012   0.9498  311.887   41.475  311.385   61.512 0.5015259 74.18851 
1 1 1    5    9   32 o  139.557   51.341   0.3989   0.4843   0.3989   0.4843   0.0000   0.0000  139.557   51.341  ?   ?       ?      ? 
1 1 1    5    9   34 o  865.058   35.504   19.617   1.4794   20.047   1.8123   18.760   2.5614  880.722   40.023  849.394   58.655 31.32721 71.00864 
1 1 1    5    9   36 o  672.478   35.563   11.796   1.1584   11.868   1.4209   11.652   2.0004  676.878   40.830  668.078   58.239 8.800354 71.12565 
1 1 1    5    9   38 f  842.218   32.801   18.013   1.2450   17.537   1.4386   19.433   2.4846  823.107   33.995  861.328   56.106 -38.22064 65.60155 
1 1 1    5    9   40 o  438.030   45.259   6.3963   0.7560   7.5798   0.8835   3.1580   1.4614  540.931   31.767  335.128   84.761 205.8029 90.51862 
1 1 1    5    9   42 o  773.811   59.432   15.917   2.3644   15.917   2.3644   0.0000   0.0000  773.811   59.432  ?   ?       ?      ? 
1 1 1    5    9   44 o  689.655   36.588   12.652   1.2179   12.717   1.4902   12.521   2.1136  696.128   41.637  683.182   60.175 12.94678 73.17548 
1 1 1    5    9   46 o  680.043   36.002   11.953   1.1997   11.120   1.4667   13.639   2.0854  648.521   43.989  711.565   57.005 -63.04413 72.00383 
1 1 1    5    9   48 o  241.940   40.813   1.6123   0.4744   1.5526   0.5730   1.7424   0.8457  237.009   48.658  246.871   65.538 -9.862473 81.62580 
1 1 1    5    9   50 o  555.469   37.550   8.2465   1.0136   7.9858   1.2386   8.7751   1.7638  546.962   44.044  563.975   60.829 -17.01312 75.10021 
1 1 1    5    9   52 o  358.158   66.716   3.7232   1.1833   3.7232   1.1833   0.0000   0.0000  358.158   66.716  ?   ?       ?      ? 
1 1 1    5    9   54 o  400.143   50.012   4.7573   0.9959   5.6248   1.4248   3.9288   1.3925  443.876   62.435  356.411   78.144 87.46439 100.0236 
1 1 1    5    9   56 o  145.086   34.226   0.5658   0.3340   0.8499   0.4094   0.0000   0.5777  172.618   45.490  117.555   51.149 55.06288 68.45139 
1 1 1    5    9   58 o  641.791   32.725   11.594   1.0666   13.704   1.5238   9.5675   1.4934  703.900   42.106  579.681   50.108 124.2185 65.45055 
1 1 1    5   10    1 o  1400.61   27.028   50.751   1.9386   46.791   2.7878   54.458   2.6975  1347.32   40.247  1453.90   36.088 -106.5867 54.05664 
1 1 1    5   10    3 o  3567.32   30.271  328.567   5.5423  319.794   8.0107  336.621   7.6760  3521.21   44.249  3613.44   41.319 -92.22437 60.54117 
1 1 1    5   10    5 o  2818.76   28.832  204.803   4.1778  200.356   5.8677  209.375   5.9498  2787.70   40.941  2849.82   40.608 -62.12329 57.66431 
1 1 1    5   10    7 o  2302.94   28.095  136.794   3.3236  138.540   4.6235  134.928   4.7810  2318.30   38.791  2287.57   40.651 30.72412 56.18966 
1 1 1    5   10    9 o  1583.28   40.056   65.033   3.2496   67.721   4.4769   62.040   4.7244  1618.45   53.804  1548.12   59.357 70.32751 80.11274 
1 1 1    5   10   11 o  712.000   27.276   13.077   0.9982   13.141   1.3964   13.009   1.4273  713.830   38.049  710.170   39.093 3.659607 54.55258 
1 1 1    5   10   13 o  234.200   29.418   1.4658   0.3392   1.0438   0.4763   1.9001   0.4832  196.980   47.569  271.421   34.625 -74.44133 58.83599 
1 1 1    5   10   15 o  1412.73   27.287   51.578   1.9816   50.359   2.7987   52.803   2.8060  1395.92   38.997  1429.54   38.179 -33.62549 54.57465 
1 1 1    5   10   17 o  832.273   27.401   17.904   1.1724   18.147   1.6601   17.662   1.6560  837.927   38.536  826.618   38.966 11.30908 54.80260 
1 1 1    5   10   19 o  1257.91   39.220   41.066   2.5356   42.039   3.5718   40.077   3.6000  1273.12   54.570  1242.69   56.346 30.43213 78.43961 
1 1 1    5   10   21 o  1472.63   38.966   56.133   2.9498   55.294   4.1817   56.964   4.1617  1461.58   55.649  1483.68   54.558 -22.10046 77.93174 
1 1 1    5   10   23 f  1321.16   27.801   45.001   1.8883   44.834   2.6679   45.170   2.6731  1318.69   39.352  1323.63   39.280 -4.936890 55.60120 
1 1 1    5   10   25 o  1426.51   27.993   52.465   2.0529   51.865   2.9043   53.065   2.9022  1418.33   39.829  1434.70   39.346 -16.37109 55.98582 
1 1 1    5   10   27 o  901.807   28.223   20.987   1.3069   22.225   1.8506   19.756   1.8459  928.434   38.770  875.179   41.025 53.25446 56.44603 
1 1 1    5   10   29 o  773.771   34.694   15.605   1.3003   15.874   1.5990   15.080   2.2341  784.424   39.648  763.119   56.944 21.30420 69.38718 
1 1 1    5   10   31 o  486.171   58.005   6.1290   1.4498   6.1290   1.4498   0.0000   0.0000  486.171   58.005  ?   ?       ?      ? 
1 1 1    5   10   33 o  646.070   35.317   10.873   1.1034   10.992   1.3526   10.636   1.9076  652.246   40.335  639.894   57.984 12.35107 70.63347 
1 1 1    5   10   35 o  935.602   35.079   22.744   1.5967   22.772   1.9646   22.690   2.7405  937.976   40.739  933.228   57.118 4.748169 70.15753 
1 1 1    5   10   37 o  392.649   34.877   3.8678   0.6767   3.5160   0.8328   4.5516   1.1611  367.868   44.032  417.431   54.100 -49.56259 69.75443 
1 1 1    5   10   39 f  264.699   40.383   2.1604   0.5350   2.8104   0.6638   0.9566   0.9034  328.877   39.261  200.521   70.581 128.3561 80.76623 
1 1 1    5   10   41 o  332.670   38.779   2.9510   0.6126   2.9207   0.7547   3.0095   1.0488  334.227   43.921  331.113   63.924 3.114258 77.55834 
1 1 1    5   10   43 o  212.220   36.167   1.0887   0.3450   0.9418   0.3936   1.5752   0.7162  186.002   42.139  238.439   58.792 -52.43765 72.33348 
1 1 1    5   10   45 o  731.503   36.718   14.170   1.2989   13.987   1.5852   14.543   2.2658  728.754   42.310  734.252   60.023 -5.497742 73.43584 
1 1 1    5   10   47 o  712.506   40.656   14.704   1.3389   16.522   1.6476   11.168   2.2977  791.152   40.506  633.860   70.506 157.2914 81.31298 
1 1 1    5   10   49 o  291.162   42.224   2.5687   0.5814   2.9593   0.7126   1.7907   1.0056  333.946   41.504  248.378   73.545 85.56847 84.44785 
1 1 1    5   10   51 o  164.660   47.182   0.7500   0.4200   0.7500   0.4200   0.0000   0.0000  164.660   47.182  ?   ?       ?      ? 
1 1 1    5   10   53 o  307.594   43.608   3.0110   0.6258   3.5384   0.7643   1.9382   1.0900  363.098   40.940  252.089   77.010 111.0097 87.21652 
1 1 1    5   10   55 o  551.933   39.868   8.6900   1.0549   8.8414   1.2927   8.3883   1.8251  568.996   44.190  534.871   66.370 34.12512 79.73508 
1 1 1    5   10   57 o  192.625   40.734   1.0329   0.4158   0.8567   0.5075   1.3927   0.7252  171.779   52.559  213.471   62.245 -41.69160 81.46727 
1 1 1    5   11    0 o  1455.66   40.586   54.938   2.8923   54.679   4.8576   55.080   3.6000  1451.37   65.402  1459.96   48.079 -0.000000 0.000000 
1 1 1    5   11    2 o  952.376   29.139   23.458   1.4100   23.877   1.8662   22.899   2.1524  962.567   37.709  942.186   44.434 20.38086 58.27837 
1 1 1    5   11    4 o  978.316   29.839   24.694   1.4997   24.344   2.1534   25.023   2.0899  971.527   43.112  985.104   41.264 -13.57703 59.67716 
1 1 1    5   11    6 o  430.265   28.940   4.7874   0.6383   5.1321   0.8938   4.4286   0.9118  446.179   38.962  414.351   42.804 31.82779 57.88073 
1 1 1    5   11    8 o  1993.47   41.760  102.995   4.2667  104.481   5.8334  101.286   6.2568  2009.55   56.461  1977.39   61.545 32.16602 83.51997 
1 1 1    5   11   10 o  333.480   27.873   2.8709   0.4741   2.4163   0.6586   3.3602   0.6831  305.974   41.865  360.986   36.809 -55.01126 55.74568 
1 1 1    5   11   12 o  1008.17   27.276   26.224   1.4133   25.306   1.9766   27.184   2.0217  990.103   38.830  1026.25   38.317 -36.14453 54.55180 
1 1 1    5   11   14 o  672.471   27.352   11.691   0.9452   12.043   1.3321   11.333   1.3414  682.755   37.950  662.186   39.400 20.56818 54.70487 
1 1 1    5   11   16 o  1465.48   27.364   55.514   2.0615   54.654   2.9124   56.378   2.9185  1454.05   38.958  1476.91   38.436 -22.85889 54.72738 
1 1 1    5   11   18 o  256.452   41.432   1.7752   0.5345   1.8830   0.7617   1.6707   0.7503  264.249   57.687  248.654   59.488 15.59486 82.86486 
1 1 1    5   11   20 o  1302.05   33.506   43.627   2.1228   43.246   2.6052   44.379   3.6618  1294.71   39.137  1309.39   54.395 -14.67517 67.01115 
1 1 1    5   11   22 o  293.367   28.883   2.2263   0.4340   2.4373   0.6114   2.0120   0.6160  307.471   38.678  279.262   42.908 28.20871 57.76701 
1 1 1    5   11   24 o  1428.27   27.835   52.592   2.0439   52.952   2.8857   52.228   2.8952  1433.20   39.163  1423.33   39.565 9.869507 55.66964 
1 1 1    5   11   26 o  255.081   31.740   1.7437   0.3976   1.2393   0.5619   2.2495   0.5627  214.741   51.547  295.421   37.047 -80.67963 63.47917 
1 1 1    5   11   28 o  1610.41   28.188   66.902   2.3334   68.502   3.3061   65.313   3.2938  1629.66   39.459  1591.16   40.263 38.49976 56.37534 
1 1 1    5   11   30 o  361.536   39.797   3.7012   0.6477   2.7912   1.1184   4.1605   0.7946  321.510   69.670  401.562   38.486 -80.05179 79.59320 
1 1 1    5   11   32 o  1035.80   40.223   27.844   2.1418   28.441   3.0468   27.261   3.0114  1046.82   56.610  1024.79   57.156 22.03516 80.44608 
1 1 1    5   11   34 o  1420.60   35.311   52.792   2.4262   53.670   2.9796   51.065   4.1796  1440.57   40.230  1400.62   58.042 39.94910 70.62109 
1 1 1    5   11   36 o  513.254   37.357   7.0826   0.9143   7.5021   1.1228   6.2564   1.5754  537.992   40.592  488.515   62.725 49.47736 74.71331 
1 1 1    5   11   38 o  423.799   35.212   4.4613   0.7430   3.8266   0.9208   5.6456   1.2577  383.118   46.750  464.480   52.669 -81.36191 70.42369 
1 1 1    5   11   40 o  963.934   36.549   24.809   1.6957   25.629   2.0842   23.203   2.9167  991.750   40.875  936.118   60.602 55.63226 73.09827 
1 1 1    5   11   42 o  307.610   64.920   2.6238   0.9945   2.6238   0.9945   0.0000   0.0000  307.610   64.920  ?   ?       ?      ? 
1 1 1    5   11   44 o  625.984   35.165   9.8171   1.0839   8.5374   1.3224   12.436   1.8918  568.938   45.210  683.029   53.873 -114.0909 70.32917 
1 1 1    5   11   46 o  458.942   34.151   5.3334   0.7093   5.0457   0.8175   6.2095   1.4264  438.618   36.252  479.266   57.888 -40.64780 68.30247 
1 1 1    5   11   48 f  808.251   36.345   18.127   1.2816   18.684   1.4827   16.479   2.5486  843.781   34.180  772.720   64.152 71.06177 72.68922 
1 1 1    5   11   50 o  702.593   39.917   14.043   1.3257   15.123   1.6324   11.950   2.2721  753.418   42.141  651.768   67.805 101.6503 79.83372 
1 1 1    5   11   52 o  326.763   49.205   3.1539   0.8008   3.1238   1.1094   3.1866   1.1570  325.773   68.415  327.753   70.737 -1.979584 98.40959 
1 1 1    5   11   54 o  222.824   47.310   1.4572   0.5774   1.3233   0.7477   1.6552   0.9089  211.813   63.579  233.834   70.077 -22.02065 94.62085 
1 1 1    5   11   56 o  450.268   49.203   6.8826   0.9457   8.3492   1.1703   4.1228   1.6055  553.251   41.145  347.284   89.391 205.9667 98.40516 
1 1 1    5   11   58 o  576.684   43.205   10.178   1.1583   10.607   1.4040   9.2618   2.0498  615.777   44.348  537.591   74.162 78.18542 86.41082 
1 1 1    5   12    1 o  1074.20   27.247   29.725   1.5043   30.730   2.1572   28.775   2.0988  1091.87   38.429  1056.54   38.639 35.32397 54.49491 
1 1 1    5   12    3 o  1577.66   31.423   64.291   2.5444   62.870   3.6842   65.586   3.5181  1560.78   45.913  1594.54   42.915 -33.75500 62.84601 
1 1 1    5   12    5 o  1331.05   29.575   45.711   2.0231   45.190   2.8916   46.211   2.8316  1323.54   42.494  1338.56   41.146 -15.01831 59.15025 
1 1 1    5   12    7 o  1286.94   43.228   42.753   2.8532   40.767   3.8741   45.107   4.2179  1254.57   60.063  1319.30   62.184 -64.72607 86.45501 
1 1 1    5   12    9 o  1480.88   27.899   56.559   2.1227   56.001   2.9431   57.165   3.0645  1473.34   38.854  1488.41   40.047 -15.07593 55.79748 
1 1 1    5   12   11 o  1319.51   27.574   45.011   1.8679   46.479   2.6007   43.446   2.6844  1341.95   37.695  1297.07   40.255 44.88049 55.14855 
1 1 1    5   12   13 o  690.573   27.477   12.342   0.9740   12.992   1.3671   11.672   1.3880  709.184   37.494  671.962   40.178 37.22205 54.95497 
1 1 1    5   12   15 o  435.858   27.760   4.9342   0.6177   5.6008   0.8732   4.2666   0.8739  465.628   36.476  406.087   41.857 59.54013 55.52028 
1 1 1    5   12   17 o  1239.39   39.159   39.915   2.4918   42.192   3.5181   37.622   3.5300  1275.26   53.658  1203.51   57.050 71.75269 78.31892 
1 1 1    5   12   19 o  1154.91   33.351   34.237   1.8778   33.739   2.3061   35.218   3.2349  1143.48   39.227  1166.34   53.947 -22.86340 66.70151 
1 1 1    5   12   21 o  1767.20   34.214   81.443   2.9173   78.336   5.0450   83.004   3.5759  1740.17   56.389  1794.24   38.764 -54.07031 68.42808 
1 1 1    5   12   23 o  1201.02   27.770   37.188   1.7145   37.812   2.4254   36.566   2.4240  1211.11   38.952  1190.93   39.589 20.17993 55.53923 
1 1 1    5   12   25 o  304.073   29.079   2.3944   0.4521   2.6731   0.6374   2.1123   0.6413  322.010   38.500  286.135   43.591 35.87521 58.15880 
1 1 1    5   12   27 o  1909.36   28.074   94.030   2.7559   94.095   3.8955   93.965   3.8992  1910.03   39.670  1908.70   39.735 1.333618 56.14743 
1 1 1    5   12   29 o  892.076   34.005   20.088   1.4861   22.147   2.5725   19.057   1.8207  924.920   54.098  859.233   41.215 65.68738 68.00964 
1 1 1    5   12   31 o  1148.71   57.457   34.237   3.3933   34.237   3.3933   0.0000   0.0000  1148.71   57.457  ?   ?       ?      ? 
1 1 1    5   12   33 o  1070.61   28.662   29.653   1.5754   31.531   2.2312   27.786   2.2247  1104.63   39.288  1036.60   41.744 68.03027 57.32487 
1 1 1    5   12   35 o  586.484   35.192   8.9275   1.0075   8.8930   1.2426   8.9936   1.7213  585.875   41.252  587.094   57.028 -1.219421 70.38414 
1 1 1    5   12   37 o  305.626   41.473   2.8157   0.5916   3.4800   0.7375   1.6160   0.9911  366.250   39.164  245.003   73.118 121.2471 82.94641 
1 1 1    5   12   39 o  429.562   37.624   5.0046   0.7751   5.3458   0.9597   4.3647   1.3144  453.120   41.197  406.004   62.970 47.11569 75.24850 
1 1 1    5   12   41 o  252.232   65.798   1.7647   0.8622   1.7647   0.8622   0.0000   0.0000  252.232   65.798  ?   ?       ?      ? 
1 1 1    5   12   43 o  279.436   40.768   2.3074   0.5418   2.6716   0.6662   1.5962   0.9310  319.278   40.584  239.594   70.718 79.68343 81.53567 
1 1 1    5   12   45 o  262.490   40.987   1.9482   0.5309   2.1071   0.6648   1.6686   0.8820  282.043   45.848  242.937   67.955 39.10628 81.97495 
1 1 1    5   12   47 o  140.316   35.087   0.4773   0.3135   0.5699   0.3832   0.2900   0.5452  146.508   45.815  134.123   53.154 12.38440 70.17399 
1 1 1    5   12   49 f  770.072   35.902   16.143   1.2108   16.285   1.3949   15.709   2.4391  786.894   34.478  753.250   62.984 33.64435 71.80302 
1 1 1    5   12   51 o  661.727   63.658   12.296   2.1657   12.296   2.1657   0.0000   0.0000  661.727   63.658  ?   ?       ?      ? 
1 1 1    5   12   53 o  191.435   39.577   0.7985   0.4846   1.9509   0.7575   0.0000   0.6305  259.296   58.243  123.575   53.601 135.7211 79.15341 
1 1 1    5   12   55 o  313.953   46.659   3.1598   0.6889   3.5200   0.8318   2.3729   1.2295  358.020   45.189  269.885   81.646 88.13525 93.31706 
1 1 1    5   12   57 o  151.723   38.531   0.5859   0.3601   0.5345   0.4320   0.7031   0.6521  141.221   48.860  162.225   59.593 -21.00380 77.06239 
1 1 1    5   13    0 o  1912.59   47.738   95.071   4.6663   90.230   6.7518   99.497   6.4565  1864.94   70.649  1960.24   64.221 0.000000 0.000000 
1 1 1    5   13    2 o  860.489   32.852   19.072   1.4515   20.396   2.1079   17.878   2.0017  888.857   46.127  832.121   46.789 56.73541 65.70355 
1 1 1    5   13    4 o  318.953   37.212   2.2679   0.5542   4.1762   1.0332   1.4970   0.6567  402.018   49.988  235.887   55.137 166.1303 74.42390 
1 1 1    5   13    6 o  597.918   45.094   9.2690   1.3830   9.2136   1.8900   9.3328   2.0291  596.171   61.661  599.664   65.816 -3.493469 90.18793 
1 1 1    5   13    8 o  790.220   28.422   16.120   1.1539   16.219   1.6058   16.015   1.6593  792.772   39.398  787.668   40.975 5.103638 56.84311 
1 1 1    5   13   10 o  345.707   28.393   3.1071   0.5012   3.4181   0.6961   2.7722   0.7223  363.907   37.208  327.506   42.898 36.40134 56.78568 
1 1 1    5   13   12 o  633.109   27.612   10.357   0.8984   10.277   1.2498   10.442   1.2923  630.636   38.546  635.582   39.547 -4.946777 55.22473 
1 1 1    5   13   14 o  690.372   27.513   12.316   0.9755   11.562   1.3654   13.103   1.3942  668.717   39.715  712.027   38.085 -43.31012 55.02540 
1 1 1    5   13   16 o  1916.12   38.849   95.307   3.8270   94.947   5.3958   95.671   5.4288  1912.50   54.877  1919.74   55.004 -7.235962 77.69742 
1 1 1    5   13   18 o  848.524   27.535   18.581   1.2011   18.845   1.6951   18.315   1.7021  854.610   38.580  842.439   39.298 12.17041 55.06995 
1 1 1    5   13   20 o  924.500   38.978   22.106   1.8526   22.270   2.6281   21.943   2.6120  927.917   55.089  921.084   55.159 6.832886 77.95660 
1 1 1    5   13   22 o  2253.96   27.736  130.972   3.2141  130.322   4.5473  131.621   4.5435  2248.35   39.339  2259.57   39.111 -11.21851 55.47252 
1 1 1    5   13   24 o  1233.60   27.839   39.237   1.7653   40.121   2.4994   38.356   2.4938  1247.52   38.969  1219.69   39.768 27.82678 55.67836 
1 1 1    5   13   26 o  767.721   28.243   15.214   1.1125   14.022   1.5666   16.427   1.5801  737.263   41.329  798.179   38.506 -60.91626 56.48689 
1 1 1    5   13   28 o  1961.85   28.130   99.332   2.8358  103.201   4.0156   95.482   4.0052  2000.11   39.051  1923.59   40.499 76.51270 56.25974 
1 1 1    5   13   30 o  1387.90   40.220   49.731   2.8699   49.731   2.8699   0.0000   0.0000  1387.90   40.220  ?   ?       ?      ? 
1 1 1    5   13   32 o  1668.17   35.497   73.210   2.8476   68.905   4.9245   75.372   3.4904  1628.29   58.825  1708.05   39.747 -79.75391 70.99427 
1 1 1    5   13   34 o  945.516   28.752   23.162   1.3940   21.081   1.9582   25.299   1.9849  902.177   42.219  988.855   39.042 -86.67841 57.50393 
1 1 1    5   13   36 o  1181.22   28.790   36.202   1.7480   35.252   2.4672   37.159   2.4770  1165.54   41.173  1196.90   40.254 -31.35889 57.58081 
1 1 1    5   13   38 o  208.799   40.198   1.1654   0.4191   1.1537   0.5019   1.1922   0.7618  206.130   48.216  211.468   64.333 -5.338699 80.39600 
1 1 1    5   13   40 o  175.758   39.471   0.7388   0.4344   1.2377   0.6174   0.2500   0.6112  212.651   55.781  138.865   55.861 73.78625 78.94297 
1 1 1    5   13   42 o  293.780   44.768   2.4006   0.6702   2.9213   0.9275   1.8319   0.9694  331.729   54.383  255.831   71.127 75.89819 89.53519 
1 1 1    5   13   44 o  286.251   42.142   2.3661   0.5694   2.5794   0.6908   1.9146   1.0053  312.874   42.947  259.629   72.521 53.24539 84.28380 
1 1 1    5   13   46 o  932.279   38.020   23.762   1.6963   24.510   2.0769   22.263   2.9401  962.826   41.957  901.732   63.418 61.09393 76.04066 
1 1 1    5   13   48 o  370.299   36.006   3.6124   0.5983   3.5269   0.6916   3.8669   1.1930  365.845   36.770  374.754   61.917 -8.908875 72.01212 
1 1 1    5   13   50 o  498.793   38.860   6.8063   0.9342   6.8041   1.1419   6.8107   1.6244  504.092   44.060  493.494   64.025 10.59744 77.72024 
1 1 1    5   13   52 o  291.450   43.294   2.5986   0.6051   2.9436   0.7452   1.9309   1.0367  330.319   43.883  252.581   74.645 77.73798 86.58875 
1 1 1    5   13   54 o  114.126   32.352   0.1906   0.2957   0.3330   0.3908   0.0000   0.4522  122.794   45.939  105.459   45.567 17.33533 64.70486 
1 1 1    5   13   56 o  313.200   41.476   2.6515   0.6299   2.0900   0.7672   3.8129   1.1033  264.725   57.972  361.675   59.333 -96.94965 82.95283 
1 1 1    5   14    1 o  331.118   43.476   2.8728   0.6858   2.9658   1.1825   2.8257   0.8419  331.582   71.468  330.654   49.526 0.9288635 86.95164 
1 1 1    5   14    3 o  193.013   40.513   0.8901   0.4735   0.2815   0.6566   1.5496   0.6835  146.128   58.201  239.898   56.373 -93.77066 81.02656 
1 1 1    5   14    5 o  887.317   46.483   20.436   2.1177   20.179   2.9133   20.724   3.0839  881.615   64.274  893.019   67.168 -11.40424 92.96626 
1 1 1    5   14    7 o  634.998   37.348   10.589   1.1286   10.046   1.9947   10.845   1.3687  621.928   62.384  648.068   41.080 -26.14075 74.69502 
1 1 1    5   14    9 o  679.781   34.563   11.673   1.1529   12.948   1.9907   11.029   1.4142  706.366   54.817  653.196   42.112 53.16931 69.12514 
1 1 1    5   14   11 o  347.791   28.245   3.1186   0.5033   2.7699   0.6937   3.5061   0.7313  327.254   41.229  368.327   38.617 -41.07245 56.49025 
1 1 1    5   14   13 o  1148.50   27.597   34.097   1.6287   34.060   2.2655   34.136   2.3430  1147.96   38.385  1149.03   39.662 -1.071167 55.19494 
1 1 1    5   14   15 o  918.063   38.799   21.878   1.8312   21.613   2.5838   22.145   2.5958  912.446   55.078  923.679   54.660 -11.23242 77.59770 
1 1 1    5   14   17 o  222.523   35.721   1.3715   0.3886   1.5145   0.4743   1.0793   0.6777  242.281   38.076  202.766   60.450 39.51601 71.44241 
1 1 1    5   14   19 o  1713.74   38.971   76.005   3.4306   79.818   4.8571   72.210   4.8460  1756.91   53.772  1670.58   56.422 86.32666 77.94136 
1 1 1    5   14   21 o  1069.22   27.707   29.472   1.5230   28.999   2.1482   29.950   2.1594  1060.58   39.397  1077.87   38.968 -17.28613 55.41335 
1 1 1    5   14   23 o  2847.11   27.802  208.981   4.0695  206.914   5.7509  211.053   5.7595  2832.98   39.484  2861.24   39.153 -28.26270 55.60500 
1 1 1    5   14   25 o  1102.03   27.970   31.318   1.5846   31.841   2.2456   30.800   2.2364  1111.22   39.306  1092.84   39.804 18.37463 55.94041 
1 1 1    5   14   27 o  227.926   33.179   1.3873   0.3747   1.3462   0.5067   1.4368   0.5565  224.309   45.493  231.542   48.310 -7.233322 66.35841 
1 1 1    5   14   29 o  1299.25   40.367   43.809   2.6851   38.844   3.7631   48.959   3.8325  1223.64   59.817  1374.86   54.219 -151.2272 80.73335 
1 1 1    5   14   31 o  818.089   40.480   17.393   1.6963   19.336   2.4219   15.523   2.3765  863.348   54.563  772.828   59.812 90.51996 80.96012 
1 1 1    5   14   33 o  1396.68   28.568   50.465   2.0512   51.350   2.9088   49.591   2.8929  1408.90   40.158  1384.45   40.644 24.45007 57.13611 
1 1 1    5   14   35 o  549.021   29.151   7.8266   0.8216   8.2893   1.1584   7.3584   1.1653  565.524   39.843  532.517   42.564 33.00677 58.30251 
1 1 1    5   14   37 o  1542.08   28.872   61.811   2.2887   62.969   3.2333   60.649   3.2402  1556.73   40.398  1527.44   41.260 29.29077 57.74455 
1 1 1    5   14   39 o  497.885   35.482   6.2408   0.8663   5.6833   1.0563   7.3864   1.5142  466.470   44.043  529.300   55.643 -62.83005 70.96487 
1 1 1    5   14   41 o  656.958   59.542   11.501   2.0111   11.501   2.0111   0.0000   0.0000  656.958   59.542  ?   ?       ?      ? 
1 1 1    5   14   43 o  319.117   42.127   3.0292   0.6141   3.4570   0.7494   2.1551   1.0712  363.008   40.154  275.227   74.070 87.78040 84.25410 
1 1 1    5   14   45 o  376.384   41.821   4.1638   0.7152   4.7536   0.8906   3.0929   1.2001  424.630   40.794  328.138   73.019 96.49234 83.64145 
1 1 1    5   14   47 o  683.152   38.226   12.928   1.2407   13.525   1.5172   11.723   2.1558  714.577   41.298  651.728   64.338 62.84894 76.45233 
1 1 1    5   14   49 o  175.677   39.148   0.8090   0.3681   0.7666   0.4355   0.9153   0.6893  166.711   48.125  184.642   61.760 -17.93092 78.29646 
1 1 1    5   14   51 o  129.881   33.336   0.3782   0.3054   0.5844   0.3797   0.0000   0.5142  146.862   45.549  112.900   48.687 33.96229 66.67159 
1 1 1    5   14   53 f  374.353   41.486   3.9104   0.7340   3.7291   0.8948   4.2833   1.2833  369.131   47.151  379.574   68.272 -10.44357 82.97183 
1 1 1    5   14   55 o  120.825   31.914   0.1665   0.2463   0.0000   0.2831   0.6837   0.4990   84.247   36.229  157.403   52.550 -73.15647 63.82823 
1 1 1    5   14   57 o  147.492   35.222   0.6137   0.3498   0.8759   0.4179   0.0000   0.6394  173.560   46.067  121.423   53.294 52.13764 70.44430 
1 1 1    5   15    0 o  1341.42   48.507   46.573   3.3354   0.0000   0.0000   46.573   3.3354  1341.42   48.507  1341.42   48.507 -0.000000 0.000000 
1 1 1    5   15    2 o  753.351   34.253   14.674   1.3232   13.304   1.8484   16.115   1.8951  717.115   50.135  789.586   46.684 -72.47040 68.50507 
1 1 1    5   15    4 o  1159.77   47.582   34.934   2.8341   33.649   3.8995   36.372   4.1262  1137.33   66.689  1182.21   67.888 -44.87878 95.16383 
1 1 1    5   15    6 o  1729.37   39.425   76.491   3.2237   74.834   3.8451   80.409   5.9144  1701.31   43.959  1757.43   65.458 -56.11536 78.84940 
1 1 1    5   15    8 o  1162.05   44.063   35.185   2.6200   35.377   3.5436   34.954   3.8914  1166.30   59.097  1157.80   65.374 8.504272 88.12570 
1 1 1    5   15   10 o  176.204   34.851   0.8369   0.3210   0.7387   0.5433   0.8895   0.3979  170.622   54.696  181.787   43.206 -11.16541 69.70203 
1 1 1    5   15   12 o  156.744   31.779   0.5729   0.2709   0.9730   0.4520   0.3486   0.3384  190.064   46.608  123.425   43.213 66.63878 63.55786 
1 1 1    5   15   14 o  275.231   58.487   2.0418   0.8021   0.0000   0.0000   2.0418   0.8021  ?   ?   275.231   58.487      ?      ? 
1 1 1    5   15   16 o  1697.71   38.822   74.693   3.3866   77.277   4.7785   72.086   4.8004  1727.48   53.803  1667.95   55.980 59.53723 77.64336 
1 1 1    5   15   18 o  220.020   36.188   1.2907   0.3836   1.2816   0.4680   1.3092   0.6696  219.093   43.082  220.946   58.156 -1.853226 72.37561 
1 1 1    5   15   20 o  2161.23   27.621  120.422   3.0682  116.677   4.3257  124.214   4.3527  2127.34   39.551  2195.13   38.568 -67.78857 55.24268 
1 1 1    5   15   22 o  1237.52   27.839   39.507   1.7693   41.664   2.5044   37.357   2.5000  1271.36   38.314  1203.68   40.397 67.68689 55.67708 
1 1 1    5   15   24 o  963.948   28.001   23.982   1.3849   22.120   1.9504   25.875   1.9668  926.071   40.965  1001.83   38.185 -75.75452 56.00159 
1 1 1    5   15   26 o  871.366   28.260   19.616   1.2619   17.696   1.7760   21.574   1.7933  828.105   41.714  914.627   38.136 -86.52264 56.51948 
1 1 1    5   15   28 o  1028.34   40.241   27.421   2.1261   28.500   3.0005   26.332   3.0130  1048.86   55.642  1007.83   58.149 41.02399 80.48160 
1 1 1    5   15   30 o  913.463   40.177   21.662   1.8864   21.174   2.6734   22.146   2.6621  903.102   57.578  923.823   56.050 -20.72076 80.35402 
1 1 1    5   15   32 o  1674.09   28.578   72.512   2.4566   68.037   3.4622   77.049   3.4862  1621.77   41.524  1726.41   39.277 -104.6420 57.15679 
1 1 1    5   15   34 o  1084.35   40.662   30.710   2.2668   30.987   3.2224   30.439   3.1893  1089.17   57.546  1079.52   57.464 9.643555 81.32423 
1 1 1    5   15   36 o  1394.18   28.987   50.581   2.0696   45.222   2.9137   56.038   2.9402  1318.80   42.973  1469.56   38.915 -150.7612 57.97470 
1 1 1    5   15   38 o  763.682   29.537   15.227   1.1509   12.921   1.6078   17.650   1.6480  703.574   44.449  823.789   38.911 -120.2146 59.07443 
1 1 1    5   15   40 o  783.753   59.583   16.335   2.4009   16.335   2.4009   0.0000   0.0000  783.753   59.583  ?   ?       ?      ? 
1 1 1    5   15   42 o  825.719   36.349   17.999   1.4537   17.833   1.7780   18.333   2.5249  824.238   41.957  827.199   59.369 -2.961243 72.69862 
1 1 1    5   15   44 o  740.323   35.658   14.161   1.2913   13.219   1.5763   16.084   2.2514  707.487   43.336  773.158   56.640 -65.67120 71.31674 
1 1 1    5   15   46 o  680.971   35.523   11.853   1.1892   10.580   1.4514   14.453   2.0741  630.858   44.751  731.083   55.182 -100.2250 71.04668 
1 1 1    5   15   48 o  924.169   38.061   23.676   1.6855   24.711   2.0749   21.669   2.8901  964.214   41.856  884.124   63.581 80.08923 76.12150 
1 1 1    5   15   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   15   52 o  357.296   38.788   3.5907   0.5935   3.5955   0.6867   3.5764   1.1798  367.429   36.351  347.163   68.533 20.26620 77.57682 
1 1 1    5   15   54 o  427.785   40.855   5.3351   0.7281   5.4239   0.8377   5.0611   1.4720  449.700   36.233  405.870   73.237 43.83035 81.70972 
1 1 1    5   15   56 o  176.793   37.940   0.9735   0.4042   1.2555   0.4871   0.3498   0.7242  208.516   46.606  145.069   59.881 63.44745 75.88067 
1 1 1    5   16    1 o  1472.36   39.837   56.757   2.5778   55.286   5.2109   57.234   2.9662  1455.95   69.614  1488.77   38.753 -32.82080 79.67390 
1 1 1    5   16    3 o  482.079   41.335   6.1808   0.9414   5.6641   1.6686   6.4220   1.1403  465.878   69.665  498.280   44.511 -32.40244 82.67042 
1 1 1    5   16    5 o  2004.02   31.322  103.831   3.2244  105.809   4.6733  102.033   4.4547  2022.03   44.953  1986.01   43.628 36.02344 62.64346 
1 1 1    5   16    7 o  822.321   40.779   17.960   1.5494   18.471   1.8421   16.725   2.8643  844.945   42.405  799.696   69.667 45.24927 81.55753 
1 1 1    5   16    9 o  1052.97   38.561   28.993   1.8756   29.225   2.2173   28.409   3.5168  1062.99   40.571  1042.94   65.588 20.05408 77.12189 
1 1 1    5   16   11 o  1634.85   41.294   69.031   3.4513   65.005   4.5965   74.234   5.2257  1581.23   56.541  1688.47   60.197 -107.2462 82.58719 
1 1 1    5   16   13 o  381.946   54.674   3.7846   1.0736   3.7846   1.0736   0.0000   0.0000  381.946   54.674  ?   ?       ?      ? 
1 1 1    5   16   15 o  1442.51   39.926   53.894   2.9553   53.587   4.0502   54.244   4.3220  1438.45   54.766  1446.58   58.113 -8.125000 79.85273 
1 1 1    5   16   17 o  1571.98   39.474   63.844   3.1878   60.598   4.4233   67.352   4.5983  1530.39   56.218  1613.57   55.429 -83.18237 78.94847 
1 1 1    5   16   19 o  1511.86   35.297   61.472   2.5401   52.173   4.3445   66.301   3.1309  1419.92   59.513  1603.80   37.971 -183.8867 70.59461 
1 1 1    5   16   21 o  654.734   35.628   11.559   1.1080   9.7139   1.8965   12.515   1.3653  612.659   60.209  696.810   38.110 -84.15027 71.25690 
1 1 1    5   16   23 o  1245.00   39.672   40.092   2.5365   37.593   3.5593   42.671   3.6156  1205.40   57.434  1284.60   54.745 -79.20093 79.34474 
1 1 1    5   16   25 o  428.493   29.009   4.7720   0.6324   5.5460   0.8924   3.9916   0.8962  463.776   37.428  393.210   44.331 70.56528 58.01824 
1 1 1    5   16   27 o  547.636   35.818   7.9699   0.9383   7.1566   1.6173   8.3825   1.1520  525.317   59.883  569.954   39.314 -44.63727 71.63539 
1 1 1    5   16   29 o  739.403   33.662   13.480   1.2218   12.075   1.4882   16.384   2.1399  683.602   42.343  795.204   52.341 -111.6012 67.32422 
1 1 1    5   16   31 o  1399.77   34.357   49.838   2.3450   53.708   4.0801   47.929   2.8655  1437.97   55.189  1361.57   40.935 76.39893 68.71363 
1 1 1    5   16   33 o  351.385   30.110   3.1969   0.5429   2.9307   0.7552   3.4817   0.7810  336.182   43.696  366.587   41.439 -30.40433 60.22071 
1 1 1    5   16   35 o  745.172   29.439   14.472   1.1182   12.211   1.5687   16.809   1.5945  685.229   44.529  805.115   38.520 -119.8860 58.87815 
1 1 1    5   16   37 o  400.004   30.195   4.1671   0.6209   4.0788   0.8709   4.2585   0.8854  395.679   42.810  404.329   42.593 -8.649506 60.38949 
1 1 1    5   16   39 o  664.442   42.990   11.826   1.4436   14.389   2.0556   9.3315   2.0277  738.314   54.154  590.570   66.783 147.7441 85.98072 
1 1 1    5   16   41 o  545.472   37.071   7.9342   0.9746   7.7408   1.6897   8.0307   1.1931  537.494   61.146  553.449   41.930 -15.95526 74.14117 
1 1 1    5   16   43 o  952.116   35.087   22.899   1.6410   20.322   1.9996   28.216   2.8721  877.310   44.332  1026.92   54.399 -149.6120 70.17489 
1 1 1    5   16   45 o  378.939   42.077   4.2637   0.7135   4.8401   0.8777   3.1407   1.2252  428.394   39.853  329.483   74.120 98.91101 84.15453 
1 1 1    5   16   47 o  329.641   37.933   2.6524   0.5948   1.9945   0.7127   4.1615   1.0794  267.267   53.733  392.015   53.557 -124.7488 75.86535 
1 1 1    5   16   49 o  469.759   62.817   6.1538   1.5171   6.1538   1.5171   0.0000   0.0000  469.759   62.817  ?   ?       ?      ? 
1 1 1    5   16   51 o  802.076   39.413   18.231   1.5007   18.988   1.8349   16.700   2.6080  840.218   42.476  763.935   66.402 76.28296 78.82537 
1 1 1    5   16   53 o  309.869   43.696   3.0667   0.6423   3.6550   0.8000   1.9999   1.0773  366.992   42.402  252.746   76.416 114.2461 87.39157 
1 1 1    5   16   55 o  233.361   41.002   1.6800   0.4401   1.7598   0.4957   1.3825   0.9571  254.856   37.828  211.865   72.758 42.99043 82.00432 
1 1 1    5   17    0 o  811.958   50.503   17.646   2.0447   19.967   2.8467   15.172   2.9386  871.222   64.362  752.693   77.845 -0.000000 0.000000 
1 1 1    5   17    2 o  1234.81   27.691   39.401   1.7576   39.709   2.5154   39.108   2.4568  1239.47   39.473  1230.15   38.845 9.317749 55.38119 
1 1 1    5   17    4 o  300.782   34.782   2.4001   0.5210   2.1589   0.7590   2.6151   0.7165  283.717   54.006  317.846   43.848 -34.12936 69.56445 
1 1 1    5   17    6 o  831.578   31.155   17.865   1.3298   19.383   1.9269   16.484   1.8374  865.336   43.311  797.820   44.796 67.51697 62.30978 
1 1 1    5   17    8 f  949.653   29.883   23.335   1.4589   23.361   2.0790   23.309   2.0476  950.136   42.560  949.169   41.960 0.9675293 59.76638 
1 1 1    5   17   10 o  1339.28   35.336   46.716   2.3105   45.811   3.9204   47.197   2.8599  1327.49   57.442  1351.08   41.172 -23.58997 70.67278 
1 1 1    5   17   12 o  2092.93   55.419  113.629   5.9632  113.629   5.9632   0.0000   0.0000  2092.93   55.419  ?   ?       ?      ? 
1 1 1    5   17   14 o  556.054   34.725   7.6057   0.9171   7.0402   1.0861   9.0105   1.7120  522.307   40.446  589.800   56.457 -67.49310 69.45031 
1 1 1    5   17   16 o  477.830   33.634   5.5439   0.7762   4.9463   0.9285   6.9311   1.4146  437.893   41.243  517.768   53.141 -79.87537 67.26728 
1 1 1    5   17   18 o  1051.28   39.849   28.553   2.1523   27.905   2.9770   29.262   3.1153  1038.87   55.738  1063.69   56.966 -24.82288 79.69826 
1 1 1    5   17   20 o  1913.19   35.020   96.376   3.1900   99.679   3.8804   89.491   5.6023  1966.47   38.382  1859.90   58.588 106.5747 70.04083 
1 1 1    5   17   22 o  1820.96   39.407   85.752   3.6878   82.433   5.1860   89.147   5.2452  1785.17   56.504  1856.75   54.946 -71.58801 78.81474 
1 1 1    5   17   24 o  1965.08   34.972  101.965   3.3024   93.462   5.6784  106.310   4.0595  1899.86   58.134  2030.30   38.890 -130.4393 69.94308 
1 1 1    5   17   26 o  2998.74   39.684  232.048   6.1182   0.0000   0.0000  232.048   6.1182  ?   ?   2998.74   39.684      ?      ? 
1 1 1    5   17   28 o  872.485   40.341   19.748   1.8067   18.313   2.5335   21.232   2.5771  840.013   58.663  904.958   55.391 -64.94489 80.68162 
1 1 1    5   17   30 o  603.096   33.849   8.7901   1.0013   11.597   1.7709   7.4713   1.2139  668.770   51.504  537.421   43.935 131.3484 67.69796 
1 1 1    5   17   32 o  1801.47   35.500   85.448   3.0742   81.098   5.3308   87.615   3.7629  1763.05   58.811  1839.88   39.780 -76.82800 71.00101 
1 1 1    5   17   34 o  309.665   32.617   2.5601   0.4904   1.8144   0.6810   3.3630   0.7067  259.100   52.912  360.230   38.156 -101.1304 65.23421 
1 1 1    5   17   36 o  596.257   29.221   9.2483   0.8956   9.4922   1.2697   9.0069   1.2634  604.156   40.878  588.358   41.767 15.79828 58.44181 
1 1 1    5   17   38 o  880.434   35.990   20.474   1.5352   20.061   2.6408   20.685   1.8869  870.355   59.015  890.513   41.213 -20.15741 71.98082 
1 1 1    5   17   40 o  574.148   43.217   8.8698   1.2572   7.1469   1.7661   10.640   1.7900  515.136   66.686  633.160   54.989 -118.0242 86.43368 
1 1 1    5   17   42 o  476.609   30.287   5.9798   0.7416   6.2694   1.0546   5.6965   1.0431  488.236   42.013  464.982   43.636 23.25446 60.57371 
1 1 1    5   17   44 o  445.451   35.938   5.0097   0.7935   4.2516   0.9764   6.4849   1.3620  399.687   47.515  491.216   53.929 -91.52881 71.87501 
1 1 1    5   17   46 o  216.197   39.179   1.2219   0.4302   0.9189   0.5378   1.7605   0.7169  182.447   53.718  249.947   57.047 -67.50075 78.35775 
1 1 1    5   17   48 o  288.353   48.304   2.4205   0.7145   1.8245   0.9941   3.0575   1.0277  249.494   72.912  327.211   63.378 -77.71690 96.60731 
1 1 1    5   17   50 o  384.782   48.198   4.3103   0.9207   5.1376   1.3064   3.4940   1.2977  429.185   59.204  340.379   76.072 88.80655 96.39512 
1 1 1    5   17   52 o  460.543   39.859   5.9595   0.8787   5.9717   1.0699   5.9341   1.5399  468.686   44.401  452.399   66.207 16.28711 79.71747 
1 1 1    5   17   54 o  265.827   43.729   2.0324   0.5497   1.8782   0.6568   2.3931   1.0042  254.792   51.901  276.863   70.394 -22.07132 87.45812 
1 1 1    5   17   56 o  169.218   34.439   0.9441   0.3560   1.2412   0.4082   0.0000   0.7277  210.006   39.255  128.429   56.598 81.57700 68.87827 
1 1 1    5   18    1 o  1112.53   27.932   31.999   1.5976   32.309   2.2733   31.696   2.2456  1117.84   39.555  1107.21   39.449 10.62708 55.86407 
1 1 1    5   18    3 o  2053.62   27.473  109.140   2.8974  105.364   4.1477  112.738   4.0490  2018.56   39.966  2088.68   37.706 -70.11865 54.94583 
1 1 1    5   18    5 o  1059.83   32.062   29.092   1.7453   29.069   2.5237   29.113   2.4163  1059.25   46.341  1060.40   44.321 -1.148926 64.12340 
1 1 1    5   18    7 o  1171.95   38.708   36.190   2.1464   34.338   3.8315   37.037   2.5911  1147.29   64.957  1196.61   42.118 -49.31812 77.41693 
1 1 1    5   18    9 f  434.892   40.203   4.8885   0.8964   5.2249   1.3301   4.6086   1.2133  448.469   57.686  421.316   56.013 27.15347 80.40556 
1 1 1    5   18   11 o  839.112   35.050   18.857   1.4215   20.342   1.7768   16.217   2.3693  887.688   38.931  790.535   58.295 97.15247 70.09999 
1 1 1    5   18   13 o  1095.83   28.389   30.966   1.5985   30.505   2.2163   31.466   2.3076  1087.38   39.644  1104.27   40.646 -16.89209 56.77772 
1 1 1    5   18   15 o  1787.56   27.951   82.288   2.5670   79.110   3.5537   85.755   3.7121  1751.53   39.463  1823.59   39.593 -72.06152 55.90130 
1 1 1    5   18   17 o  2028.86   40.052  105.985   4.1678   96.956   5.6964  116.385   6.1139  1936.16   57.226  2121.57   56.052 -185.4106 80.10390 
1 1 1    5   18   19 o  1610.00   35.428   68.195   2.6995   70.286   3.2649   63.676   4.7997  1651.28   38.457  1568.72   59.511 82.55554 70.85586 
1 1 1    5   18   21 o  376.415   37.914   3.7990   0.6547   3.9411   0.7929   3.4945   1.1606  390.957   39.450  361.874   64.758 29.08310 75.82779 
1 1 1    5   18   23 o  2475.58   34.939  161.116   4.1454  166.336   5.0687  150.573   7.2036  2539.65   38.820  2411.51   58.102 128.1377 69.87763 
1 1 1    5   18   25 o  1064.75   39.903   29.370   2.1813   27.353   3.0610   31.450   3.1092  1027.39   57.950  1102.11   54.872 -74.72241 79.80676 
1 1 1    5   18   27 o  1828.99   39.802   86.364   3.7427   86.364   3.7427   0.0000   0.0000  1828.99   39.802  ?   ?       ?      ? 
1 1 1    5   18   29 o  817.790   40.482   17.384   1.6974   15.799   2.3837   19.015   2.4177  779.595   59.472  855.985   54.938 -76.38971 80.96326 
1 1 1    5   18   31 o  817.437   40.713   17.411   1.7103   18.092   2.4313   16.744   2.4064  833.416   56.742  801.459   58.400 31.95654 81.42622 
1 1 1    5   18   33 o  907.946   34.837   21.024   1.5422   22.855   2.6877   20.125   1.8830  935.151   55.903  880.740   41.585 54.41071 69.67371 
1 1 1    5   18   35 o  1034.40   35.871   28.167   1.7856   27.419   3.1085   28.536   2.1813  1020.91   59.224  1047.89   40.489 -26.97931 71.74206 
1 1 1    5   18   37 o  1321.36   35.893   45.665   2.2910   46.342   4.0005   45.336   2.7946  1323.92   58.774  1318.79   41.216 5.130981 71.78535 
1 1 1    5   18   39 o  951.097   59.634   24.097   2.9160   24.097   2.9160   0.0000   0.0000  951.097   59.634  ?   ?       ?      ? 
1 1 1    5   18   41 o  1546.70   37.755   65.895   2.7706   57.360   4.7782   70.217   3.4006  1457.27   63.776  1636.14   40.426 -178.8757 75.50977 
1 1 1    5   18   43 o  144.042   31.602   0.5200   0.2832   0.1638   0.4131   0.8359   0.3891  113.566   45.840  174.517   43.513 -60.95100 63.20361 
1 1 1    5   18   45 o  134.401   32.163   0.4303   0.2823   0.1452   0.4210   0.6632   0.3804  112.794   46.000  156.007   44.966 -43.21311 64.32676 
1 1 1    5   18   47 o  288.406   41.117   2.1707   0.5645   1.7599   0.6871   3.0237   0.9901  249.966   54.962  326.846   61.168 -76.88013 82.23325 
1 1 1    5   18   49 o  262.802   48.590   1.9218   0.6323   1.9218   0.6323   0.0000   0.0000  262.802   48.590  ?   ?       ?      ? 
1 1 1    5   18   51 o  139.935   36.265   0.3991   0.2952   0.3270   0.3347   0.6517   0.6265  118.460   42.817  161.410   58.543 -42.95002 72.53002 
1 1 1    5   18   53 o  105.209   30.707   0.1255   0.2676   0.2005   0.3382   0.0000   0.4375  106.808   42.014  103.611   44.794 3.197159 61.41411 
1 1 1    5   18   55 o  134.426   34.997   0.3722   0.3134   0.1918   0.3899   0.7016   0.5269  110.373   44.539  158.480   53.993 -48.10706 69.99313 
1 1 1    5   19    0 o  965.920   42.890   24.746   1.9891   25.457   2.4605   23.407   3.3792  989.516   48.632  942.324   70.663 0.000000 0.000000 
1 1 1    5   19    2 o  218.649   30.717   1.2663   0.3378   1.6141   0.4870   0.9438   0.4689  249.949   37.898  187.348   48.352 62.60083 61.43405 
1 1 1    5   19    4 o  647.270   33.683   10.906   1.1150   10.144   1.6240   11.586   1.5336  625.473   50.501  669.066   44.585 -43.59296 67.36589 
1 1 1    5   19    6 o  476.071   40.079   5.9083   0.9044   5.8271   1.6260   5.9447   1.0883  472.744   66.902  479.398   44.153 -6.653717 80.15840 
1 1 1    5   19    8 o  729.076   41.171   13.676   1.5331   14.854   2.3357   12.785   2.0322  756.171   60.080  701.981   56.308 54.18994 82.34218 
1 1 1    5   19   10 o  1641.98   33.988   69.306   2.7821   68.098   3.5129   71.339   4.5566  1624.00   42.073  1659.96   53.391 -35.95691 67.97658 
1 1 1    5   19   12 o  2281.66   28.886  134.258   3.3873  132.369   4.7173  136.268   4.8671  2265.17   40.506  2298.15   41.192 -32.98047 57.77166 
1 1 1    5   19   14 o  567.629   28.593   8.3062   0.8337   8.2377   1.1532   8.3811   1.2067  565.215   39.685  570.044   41.174 -4.829346 57.18573 
1 1 1    5   19   16 o  1074.39   40.652   29.687   2.2387   27.663   3.0266   32.133   3.3268  1034.23   56.919  1114.54   58.057 -80.31030 81.30491 
1 1 1    5   19   18 o  1504.76   28.163   58.532   2.1730   61.849   3.0275   55.007   3.1208  1549.04   38.015  1460.47   41.562 88.56250 56.32570 
1 1 1    5   19   20 o  1534.22   27.980   60.680   2.2065   60.089   3.0815   61.303   3.1609  1526.59   39.262  1541.86   39.875 -15.26538 55.95989 
1 1 1    5   19   22 o  1770.27   28.014   80.843   2.5491   81.586   3.5796   80.079   3.6309  1778.59   39.147  1761.95   40.082 16.63916 56.02723 
1 1 1    5   19   24 o  1278.42   33.866   41.532   2.1195   44.547   3.6540   40.003   2.6019  1311.82   54.178  1245.02   40.648 66.80286 67.73132 
1 1 1    5   19   26 o  1589.62   34.403   65.108   2.6499   64.594   3.2390   66.148   4.6080  1581.82   39.827  1597.42   56.108 -15.60046 68.80681 
1 1 1    5   19   28 o  1467.76   34.514   55.494   2.4608   54.889   3.0135   56.704   4.2631  1457.56   40.214  1477.95   56.105 -20.38647 69.02843 
1 1 1    5   19   30 o  831.312   33.837   17.056   1.3824   15.189   1.6852   20.895   2.4169  765.917   42.797  896.708   52.424 -130.7910 67.67446 
1 1 1    5   19   32 o  956.871   35.630   24.114   1.6440   24.658   2.0168   23.038   2.8381  975.359   40.219  938.384   58.827 36.97473 71.26099 
1 1 1    5   19   34 o  462.241   37.631   5.8375   0.8227   6.3080   1.0108   4.9139   1.4162  492.862   39.890  431.620   63.821 61.24179 75.26192 
1 1 1    5   19   36 o  710.412   35.369   12.927   1.2247   12.312   1.4938   14.186   2.1390  687.231   42.278  733.593   56.713 -46.36206 70.73762 
1 1 1    5   19   38 o  631.654   59.932   10.616   1.9463   10.616   1.9463   0.0000   0.0000  631.654   59.932  ?   ?       ?      ? 
1 1 1    5   19   40 o  556.431   42.892   8.3185   1.2224   9.1928   1.7390   7.4647   1.7186  586.491   57.673  526.371   63.505 60.11987 85.78468 
1 1 1    5   19   42 o  662.126   37.177   11.863   1.1859   11.266   2.0400   12.168   1.4575  644.693   61.548  679.559   41.717 -34.86584 74.35339 
1 1 1    5   19   44 o  237.076   39.617   1.5219   0.4535   1.7526   0.7935   1.4100   0.5526  248.491   62.241  225.660   49.031 22.83095 79.23355 
1 1 1    5   19   46 o  741.484   37.945   14.824   1.3502   15.137   2.3820   14.675   1.6389  740.291   62.585  742.677   42.923 -2.385620 75.88994 
1 1 1    5   19   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   19   50 o  235.526   46.177   1.6437   0.6111   0.9768   0.8807   2.2632   0.8488  192.031   69.448  279.021   60.880 -86.98991 92.35427 
1 1 1    5   19   52 o  331.799   49.904   3.3403   0.8246   3.7102   1.2072   3.0168   1.1289  350.185   69.507  313.413   71.627 36.77255 99.80812 
1 1 1    5   19   54 o  264.797   52.339   2.2503   0.7392   2.0941   1.0095   2.4309   1.0854  255.447   73.142  274.146   74.886 -18.69849 104.6786 
1 1 1    5   20    1 f  463.168   34.803   5.5766   0.8254   5.0910   1.1811   6.0402   1.1539  443.198   51.835  483.138   46.455 -39.94009 69.60608 
1 1 1    5   20    3 o  431.297   40.568   4.8529   0.8745   4.9339   1.1187   4.7256   1.4024  436.466   49.854  426.127   64.013 10.33899 81.13640 
1 1 1    5   20    5 o  1013.22   44.692   26.628   2.3070   27.151   3.5213   26.234   3.0537  1021.20   67.069  1005.23   59.087 15.96759 89.38401 
1 1 1    5   20    7 f  1382.44   36.119   49.573   2.5084   50.012   3.2297   48.905   3.9823  1391.18   45.155  1373.70   56.386 17.47412 72.23827 
1 1 1    5   20    9 o  2231.81   30.348  128.511   3.4812  132.000   4.9919  125.209   4.8572  2261.27   42.938  2202.34   42.897 58.92896 60.69518 
1 1 1    5   20   11 o  2070.65   29.514  110.609   3.1413  107.551   4.4244  113.717   4.4609  2041.72   42.149  2099.58   41.326 -57.86584 59.02837 
1 1 1    5   20   13 o  891.875   29.231   20.606   1.3343   22.314   1.8591   18.791   1.9161  930.329   38.868  853.421   43.669 76.90814 58.46149 
1 1 1    5   20   15 o  1161.07   41.403   34.578   2.4596   31.917   3.2871   37.964   3.7076  1110.86   57.554  1211.28   59.535 -100.4180 82.80671 
1 1 1    5   20   17 o  1187.03   28.231   36.295   1.7218   35.392   2.3853   37.279   2.4881  1171.64   39.598  1202.41   40.248 -30.77185 56.46142 
1 1 1    5   20   19 o  2326.07   28.113  139.451   3.3606  137.341   4.6712  141.715   4.8383  2307.91   39.368  2344.23   40.144 -36.32031 56.22607 
1 1 1    5   20   21 o  1902.99   28.099   93.449   2.7477   95.054   3.8457   91.775   3.9272  1919.81   38.962  1886.17   40.498 33.64526 56.19746 
1 1 1    5   20   23 o  1482.32   28.210   56.769   2.1470   59.530   3.0163   53.933   3.0568  1519.08   38.621  1445.56   41.130 73.51355 56.42090 
1 1 1    5   20   25 o  1296.21   40.000   43.587   2.6630   45.757   3.7635   41.411   3.7686  1328.82   55.088  1263.60   58.010 65.22546 79.99934 
1 1 1    5   20   27 o  712.606   35.025   12.952   1.2066   12.579   1.4645   13.741   2.1291  697.725   40.825  727.487   56.924 -29.76245 70.05051 
1 1 1    5   20   29 o  644.739   36.501   11.143   1.1264   9.7851   1.9252   11.850   1.3889  612.588   61.128  676.890   39.909 -64.30182 73.00247 
1 1 1    5   20   31 o  202.433   35.057   1.1105   0.3650   1.3251   0.5155   0.8947   0.5169  221.768   46.693  183.099   52.304 38.66893 70.11382 
1 1 1    5   20   33 o  720.644   29.315   13.548   1.0770   11.468   1.5141   15.677   1.5322  663.877   44.361  777.411   38.335 -113.5342 58.63000 
1 1 1    5   20   35 o  118.070   29.838   0.2639   0.2477   0.5082   0.3437   0.0000   0.3572  139.838   43.329   96.301   41.034 43.53729 59.67580 
1 1 1    5   20   37 o  756.551   58.783   15.189   2.2864   15.189   2.2864   0.0000   0.0000  756.551   58.783  ?   ?       ?      ? 
1 1 1    5   20   39 o  567.756   42.577   8.6323   1.2408   8.0224   1.7434   9.2582   1.7662  546.740   62.022  588.772   58.349 -42.03156 85.15467 
1 1 1    5   20   41 o  781.512   36.757   16.284   1.3911   16.283   1.7056   16.285   2.4041  786.287   42.192  776.737   60.202 9.550842 73.51485 
1 1 1    5   20   43 o  234.057   39.428   1.7410   0.4977   2.2826   0.6023   0.5740   0.8840  294.224   39.814  173.889   68.067 120.3344 78.85611 
1 1 1    5   20   45 o  462.194   38.873   5.9266   0.8678   6.2312   1.0787   5.3677   1.4612  484.029   43.347  440.358   64.540 43.67023 77.74522 
1 1 1    5   20   47 o  307.474   49.257   2.7989   0.7601   2.4353   1.1334   3.0960   1.0247  285.680   75.883  329.269   62.822 -43.58932 98.51302 
1 1 1    5   20   49 o  233.810   46.745   1.6078   0.5859   1.6094   0.7979   1.6059   0.8632  234.298   64.295  233.323   67.873 0.9749908 93.49097 
1 1 1    5   20   51 o  377.006   50.270   4.3211   0.9385   5.6761   1.3349   2.9965   1.3198  447.945   57.962  306.067   82.151 141.8774 100.5402 
1 1 1    5   20   53 o  312.108   46.965   3.0076   0.8163   5.1827   1.1836   1.0347   1.1272  427.190   53.889  197.026   76.933 230.1640 93.92921 
1 1 1    5   20   55 o  182.668   40.244   0.8222   0.4944   0.0000   0.6731   1.7853   0.7285  124.042   54.558  241.294   59.175 -117.2522 80.48737 
1 1 1    5   21    0 o  474.073   55.914   6.2661   1.2474   5.9780   1.7215   6.5846   1.8101  461.489   79.684  486.656   78.460 -0.000000 0.000000 
1 1 1    5   21    2 o  653.079   31.584   11.123   1.0400   11.605   1.3618   10.448   1.6108  670.572   39.500  635.586   49.296 34.98602 63.16871 
1 1 1    5   21    4 o  1463.48   30.098   54.857   2.2467   52.015   2.9659   58.683   3.4416  1419.65   40.636  1507.32   44.410 -87.67407 60.19571 
1 1 1    5   21    6 o  2404.01   32.282  149.214   3.9865  150.498   5.7688  148.041   5.5152  2413.70   46.487  2394.32   44.803 19.37256 64.56335 
1 1 1    5   21    8 o  1664.52   31.264   71.672   2.6692   68.273   3.8465   74.830   3.7072  1626.07   46.010  1702.96   42.342 -76.88184 62.52786 
1 1 1    5   21   10 o  1493.05   30.196   57.560   2.3158   55.208   3.2939   59.860   3.2566  1462.73   43.800  1523.38   41.580 -60.65369 60.39280 
1 1 1    5   21   12 o  1025.42   29.626   27.145   1.5603   28.210   2.1908   26.049   2.2227  1045.93   40.741  1004.90   43.022 41.02301 59.25179 
1 1 1    5   21   14 o  1481.61   42.906   56.981   3.2360   58.077   4.3088   55.563   4.9008  1498.76   55.919  1464.47   65.090 34.28821 85.81139 
1 1 1    5   21   16 o  1282.66   28.594   42.434   1.8837   42.708   2.6113   42.138   2.7201  1287.06   39.463  1278.25   41.390 8.803833 57.18777 
1 1 1    5   21   18 o  615.490   28.695   9.7867   0.9063   10.123   1.2577   9.4239   1.3071  626.569   39.043  604.411   42.063 22.15784 57.39021 
1 1 1    5   21   20 o  1518.00   28.262   59.458   2.2041   59.973   3.0670   58.909   3.1697  1524.90   39.120  1511.10   40.799 13.79846 56.52395 
1 1 1    5   21   22 o  1928.74   28.239   96.003   2.7992   96.418   3.9125   95.567   4.0066  1933.11   39.366  1924.36   40.497 8.753906 56.47736 
1 1 1    5   21   24 o  584.097   40.146   8.8443   1.2044   9.3787   1.7171   8.3267   1.6898  601.573   55.519  566.622   58.005 34.95068 80.29272 
1 1 1    5   21   26 o  800.071   28.604   16.527   1.1754   15.490   1.6408   17.620   1.6845  774.241   41.219  825.901   39.672 -51.66083 57.20885 
1 1 1    5   21   28 o  1036.99   34.159   26.986   1.7395   30.894   3.0157   25.038   2.1295  1090.34   53.797  983.636   42.109 106.7069 68.31764 
1 1 1    5   21   30 o  934.463   28.809   22.625   1.3840   22.416   1.9440   22.840   1.9708  930.097   40.653  938.828   40.831 -8.731323 57.61794 
1 1 1    5   21   32 o  294.410   31.105   2.2630   0.4688   2.4572   0.6554   2.0597   0.6708  307.579   41.447  281.242   46.391 26.33658 62.20908 
1 1 1    5   21   34 o  259.362   32.915   1.7869   0.4292   1.6722   0.6075   1.9012   0.6064  248.667   49.258  270.057   43.672 -21.38982 65.82987 
1 1 1    5   21   36 o  941.394   42.038   23.568   2.0241   26.370   2.8723   20.804   2.8528  998.791   55.936  883.998   62.770 114.7933 84.07696 
1 1 1    5   21   38 o  780.354   35.622   15.780   1.3579   15.123   1.6627   17.097   2.3529  759.455   42.583  801.253   57.117 -41.79846 71.24322 
1 1 1    5   21   40 o  261.023   33.380   1.8407   0.4340   2.2315   0.6224   1.4710   0.6054  291.301   41.558  230.746   52.247 60.55507 66.75917 
1 1 1    5   21   42 f  256.686   34.600   1.8581   0.4381   1.2410   0.6378   2.4095   0.6028  210.766   57.334  302.607   38.748 -91.84032 69.19961 
1 1 1    5   21   44 o  217.989   34.506   1.3200   0.3759   1.3145   0.5577   1.3245   0.5089  217.060   50.862  218.919   46.645 -1.858841 69.01237 
1 1 1    5   21   46 o  471.840   37.333   5.9138   0.8559   5.6458   1.0424   6.4681   1.4992  459.630   44.113  484.051   60.240 -24.42123 74.66509 
1 1 1    5   21   48 o  340.881   39.638   3.1808   0.6553   2.9938   0.8188   3.5139   1.0929  332.285   47.926  349.478   63.148 -17.19287 79.27530 
1 1 1    5   21   50 o  230.404   42.470   1.5134   0.4764   1.4546   0.5665   1.6554   0.8803  226.054   50.067  234.753   68.616 -8.698776 84.94041 
1 1 1    5   21   52 o  282.245   44.633   2.5742   0.6243   3.0131   0.7673   1.7147   1.0738  331.037   45.085  233.452   77.045 97.58406 89.26675 
1 1 1    5   21   54 o  434.310   39.672   5.3316   0.8461   4.9718   1.0403   6.0349   1.4542  419.896   48.187  448.724   63.036 -28.82813 79.34473 
1 1 1    5   22    1 o  976.994   31.362   24.523   1.5503   23.995   2.0105   25.297   2.4347  964.433   40.548  989.555   47.856 -25.12140 62.72424 
1 1 1    5   22    3 o  2039.48   28.065  107.283   2.9420  107.269   4.2086  107.297   4.1143  2039.27   40.142  2039.69   39.234 -0.4261475 56.13094 
1 1 1    5   22    5 o  898.319   30.179   20.746   1.3806   20.293   1.8218   21.357   2.1159  887.052   39.947  909.586   45.247 -22.53491 60.35770 
1 1 1    5   22    7 o  2018.57   31.958  105.045   3.3137  107.905   4.8101  102.461   4.5715  2044.59   45.759  1992.54   44.625 52.04712 63.91643 
1 1 1    5   22    9 o  651.708   31.625   11.050   1.0506   9.6662   1.5144   12.333   1.4586  611.865   48.141  691.552   41.025 -79.68713 63.25079 
1 1 1    5   22   11 o  1153.98   30.133   34.348   1.7877   34.355   2.5373   34.342   2.5192  1154.08   42.763  1153.89   42.466 0.1923828 60.26619 
1 1 1    5   22   13 o  900.910   43.796   20.999   2.0115   20.906   2.6742   21.119   3.0524  899.033   57.857  902.787   65.764 -3.754211 87.59174 
1 1 1    5   22   15 o  1214.09   29.046   37.962   1.8108   35.411   2.5151   40.708   2.6094  1171.73   41.750  1256.45   40.394 -84.71729 58.09237 
1 1 1    5   22   17 o  1098.29   28.801   31.128   1.6247   31.499   2.2563   30.728   2.3414  1105.19   39.709  1091.39   41.728 13.79932 57.60273 
1 1 1    5   22   19 o  899.389   28.602   20.854   1.3220   20.343   1.8392   21.400   1.9016  888.006   40.286  910.773   40.611 -22.76642 57.20337 
1 1 1    5   22   21 o  1935.74   28.397   96.641   2.8249   94.763   3.9279   98.654   4.0658  1916.32   39.868  1955.15   40.448 -38.83081 56.79341 
1 1 1    5   22   23 o  1636.82   39.778   69.479   3.3458   67.093   4.7382   71.851   4.7252  1608.53   57.295  1665.12   55.195 -56.58545 79.55626 
1 1 1    5   22   25 o  772.127   28.812   15.398   1.1384   13.471   1.5824   17.466   1.6390  721.873   42.637  822.381   38.764 -100.5078 57.62442 
1 1 1    5   22   27 o  890.521   41.046   20.639   1.8781   20.574   2.6088   20.709   2.7060  889.250   57.062  891.793   59.019 -2.543518 82.09274 
1 1 1    5   22   29 o  858.025   28.900   19.074   1.2748   18.818   1.7942   19.334   1.8116  852.207   40.950  863.844   40.791 -11.63635 57.80005 
1 1 1    5   22   31 o  1190.12   28.870   36.792   1.7629   33.890   2.4788   39.763   2.5076  1142.19   42.212  1238.05   39.396 -95.85999 57.73979 
1 1 1    5   22   33 o  1292.31   28.934   43.467   1.9215   44.603   2.7038   42.308   2.7313  1309.66   40.156  1274.95   41.668 34.70251 57.86856 
1 1 1    5   22   35 o  1069.19   36.315   30.520   1.8713   28.697   3.2149   31.454   2.3012  1040.20   60.115  1098.18   40.759 -57.97424 72.63012 
1 1 1    5   22   37 o  983.422   29.571   25.332   1.4932   23.720   2.0993   26.982   2.1244  951.274   42.923  1015.57   40.687 -64.29578 59.14236 
1 1 1    5   22   39 o  1134.96   37.496   35.136   2.0335   31.880   3.5064   36.787   2.4961  1086.41   62.776  1183.51   41.022 -97.10315 74.99107 
1 1 1    5   22   41 o  653.217   30.166   11.288   1.0110   12.090   1.4282   10.484   1.4312  677.145   41.024  629.289   44.237 47.85645 60.33126 
1 1 1    5   22   43 o  171.592   35.150   0.8078   0.3293   0.7171   0.4674   0.8971   0.4641  163.139   50.526  180.044   48.878 -16.90552 70.29906 
1 1 1    5   22   45 o  633.719   31.000   10.738   0.9983   8.7731   1.3889   12.838   1.4359  571.735   47.249  695.703   40.145 -123.9682 62.00095 
1 1 1    5   22   47 o  471.273   36.696   5.8394   0.8522   5.3225   1.0463   6.8579   1.4688  444.476   45.788  498.070   57.358 -53.59464 73.39276 
1 1 1    5   22   49 o  367.568   31.581   3.6709   0.5950   3.9164   0.8327   3.4148   0.8505  381.051   42.504  354.086   46.721 26.96500 63.16172 
1 1 1    5   22   51 o  498.491   32.329   6.8627   0.8202   5.8336   1.1635   7.8789   1.1563  458.483   49.361  538.498   41.764 -80.01526 64.65821 
1 1 1    5   22   53 o  407.034   39.379   4.4293   0.7828   3.7125   0.9440   6.0066   1.4003  362.052   50.715  452.016   60.257 -89.96359 78.75811 
1 1 1    5   23    0 o  516.420   74.214   7.3007   1.8523   0.0000   0.0000   7.3007   1.8523  516.420   74.214  516.420   74.214 0.000000 0.000000 
1 1 1    5   23    2 o  1110.87   34.792   31.961   1.9815   30.121   2.8536   33.674   2.7536  1079.67   51.407  1142.07   46.896 -62.40125 69.58437 
1 1 1    5   23    4 o  703.241   28.446   12.833   1.0213   11.307   1.4631   14.285   1.4264  662.033   42.985  744.448   37.269 -82.41455 56.89176 
1 1 1    5   23    6 o  1770.61   32.891   80.966   2.9901   79.970   4.3274   81.876   4.1363  1759.98   47.825  1781.24   45.167 -21.26343 65.78217 
1 1 1    5   23    8 o  859.372   31.789   19.035   1.4035   19.615   2.0324   18.506   1.9405  871.849   45.342  846.896   44.568 24.95319 63.57851 
1 1 1    5   23   10 o  621.904   42.624   10.219   1.2231   10.503   1.4521   9.5251   2.2689  638.059   44.266  605.750   72.854 32.30920 85.24789 
1 1 1    5   23   12 o  1508.46   45.556   59.443   3.4791   62.172   4.6029   55.806   5.3138  1550.33   57.749  1466.59   70.474 83.73352 91.11215 
1 1 1    5   23   14 o  2164.91   29.539  120.965   3.2856  123.751   4.5991  118.062   4.6953  2190.54   40.837  2139.28   42.690 51.25659 59.07719 
1 1 1    5   23   16 o  828.623   29.481   17.785   1.2506   19.333   1.7487   16.165   1.7891  865.830   39.285  791.418   43.969 74.41193 58.96246 
1 1 1    5   23   18 o  990.023   28.936   25.351   1.4692   26.614   2.0427   23.999   2.1145  1015.77   39.115  964.273   42.652 51.49976 57.87223 
1 1 1    5   23   20 o  1892.32   35.040   92.374   3.2422   93.344   5.5267   91.865   4.0036  1898.14   56.632  1886.49   41.278 11.65649 70.07941 
1 1 1    5   23   22 o  1103.16   40.185   31.578   2.2728   34.607   3.2400   28.643   3.1891  1155.67   54.531  1050.65   59.040 105.0200 80.36989 
1 1 1    5   23   24 o  1038.33   28.711   27.831   1.5317   26.467   2.1339   29.280   2.2000  1012.07   41.010  1064.60   40.194 -52.53479 57.42297 
1 1 1    5   23   26 o  1036.55   41.072   27.894   2.1854   25.892   3.0122   30.119   3.1754  997.231   58.752  1075.86   57.408 -78.62793 82.14332 
1 1 1    5   23   28 o  816.003   29.422   17.338   1.2125   13.377   1.6822   21.622   1.7493  717.856   45.578  914.149   37.220 -196.2924 58.84480 
1 1 1    5   23   30 o  1690.49   28.808   74.170   2.5037   73.335   3.5262   75.018   3.5555  1680.87   40.804  1700.11   40.678 -19.23608 57.61644 
1 1 1    5   23   32 o  402.709   30.254   4.2295   0.6252   3.9536   0.8880   4.5007   0.8803  389.474   44.345  415.944   41.166 -26.47061 60.50745 
1 1 1    5   23   34 o  690.256   36.444   12.586   1.2140   12.347   2.1050   12.705   1.4860  682.604   59.980  697.908   41.414 -15.30383 72.88815 
1 1 1    5   23   36 o  1036.30   35.997   28.247   1.8003   28.050   2.1949   28.651   3.1470  1035.49   41.229  1037.10   59.020 -1.617920 71.99467 
1 1 1    5   23   38 o  484.778   52.550   6.9055   1.1642   10.755   1.6691   3.2578   1.6247  636.552   51.000  333.004   91.896 303.5476 105.0993 
1 1 1    5   23   40 o  604.676   30.466   9.6676   0.9461   10.065   1.3287   9.2587   1.3474  617.764   41.836  591.588   44.300 26.17596 60.93169 
1 1 1    5   23   42 o  662.871   30.496   11.657   1.0384   11.071   1.4622   12.253   1.4750  645.620   44.052  680.122   42.184 -34.50208 60.99226 
1 1 1    5   23   44 o  518.719   30.618   7.1695   0.8159   7.4728   1.1529   6.8653   1.1549  530.126   42.300  507.313   44.278 22.81308 61.23614 
1 1 1    5   23   46 o  173.163   40.600   0.7273   0.4463   1.2244   0.6598   0.3082   0.6059  207.275   59.055  139.050   55.730 68.22467 81.19951 
1 1 1    5   23   48 o  713.998   45.241   14.532   1.6507   16.327   2.3479   12.778   2.3212  761.899   59.941  666.098   67.780 95.80078 90.48228 
1 1 1    5   23   50 o  565.481   32.439   8.7860   0.9322   7.2468   1.3030   10.400   1.3341  511.687   49.530  619.276   41.902 -107.5894 64.87717 
1 1 1    5   23   52 o  477.257   32.653   6.3346   0.7991   6.8017   1.1275   5.8632   1.1328  496.470   44.172  458.044   48.102 38.42502 65.30665 
1 1 1    5   23   54 o  437.501   47.703   6.2452   0.9164   6.7821   1.1103   5.0978   1.6231  492.241   43.872  382.761   84.720 109.4803 95.40539 
1 1 1    5   24    1 o  2048.79   31.362  107.392   3.2537  103.327   4.2143  113.391   5.1196  2001.75   40.950  2095.83   47.513 -94.08728 62.72424 
1 1 1    5   24    3 f  2148.11   28.346  119.031   3.1288  116.679   4.4694  121.290   4.3816  2127.17   40.867  2169.05   39.291 -41.87988 56.69159 
1 1 1    5   24    5 o  1365.33   27.875   48.060   1.9555   47.990   2.8141   48.126   2.7192  1364.29   40.121  1366.37   38.708 -2.079224 55.74904 
1 1 1    5   24    7 o  886.571   32.952   20.347   1.4973   19.188   2.1624   21.415   2.0753  862.066   48.789  911.076   44.305 -49.00946 65.90417 
1 1 1    5   24    9 o  2013.69   42.561  106.427   3.9972  108.572   4.7695  101.364   7.3267  2051.22   45.226  1976.17   72.113 75.04907 85.12201 
1 1 1    5   24   11 o  1554.74   37.137   62.893   2.8051   61.138   4.7981   63.804   3.4575  1536.78   60.729  1572.70   42.761 -35.92627 74.27303 
1 1 1    5   24   13 o  1397.08   30.136   50.361   2.1641   49.017   3.0558   51.713   3.0653  1378.32   43.122  1415.84   42.110 -37.51758 60.27259 
1 1 1    5   24   15 o  1334.28   29.581   45.910   2.0279   43.579   2.8350   48.353   2.9018  1299.54   42.432  1369.01   41.228 -69.47375 59.16264 
1 1 1    5   24   17 o  2007.40   29.215  104.152   3.0103  108.135   4.1947   99.923   4.3225  2047.30   39.852  1967.50   42.732 79.80481 58.43087 
1 1 1    5   24   19 o  512.105   36.343   6.5852   0.9110   7.4337   1.5871   6.1682   1.1125  535.550   57.642  488.659   44.281 46.89032 72.68674 
1 1 1    5   24   21 o  1467.39   35.215   56.829   2.4893   59.075   3.0645   52.472   4.2679  1512.71   39.404  1422.06   58.375 90.65857 70.42948 
1 1 1    5   24   23 o  526.999   29.979   7.2260   0.8061   8.1287   1.1293   6.2882   1.1510  560.992   39.154  493.007   45.409 67.98553 59.95787 
1 1 1    5   24   25 o  1810.52   35.717   84.394   3.0831   83.277   3.7093   86.890   5.5450  1794.44   40.206  1826.59   59.046 -32.15295 71.43490 
1 1 1    5   24   27 o  807.381   29.085   16.878   1.2067   16.169   1.6834   17.628   1.7307  789.899   41.451  824.862   40.810 -34.96320 58.16959 
1 1 1    5   24   29 o  442.462   29.904   5.0816   0.6798   4.8368   0.9497   5.3389   0.9736  431.483   42.809  453.441   41.765 -21.95819 59.80725 
1 1 1    5   24   31 o  831.222   29.309   18.009   1.2491   19.474   1.7634   16.533   1.7697  865.642   39.622  796.802   43.200 68.83942 58.61870 
1 1 1    5   24   33 o  704.520   29.552   12.960   1.0691   13.625   1.5063   12.286   1.5176  723.029   40.520  686.010   43.029 37.01880 59.10480 
1 1 1    5   24   35 o  695.272   36.863   12.954   1.2359   13.338   1.5208   12.208   2.1211  714.107   41.422  676.436   60.990 37.67181 73.72614 
1 1 1    5   24   37 o  185.079   42.216   0.6438   0.5071   0.0000   0.6516   1.6330   0.8076  128.435   55.089  241.723   63.986 -113.2883 84.43294 
1 1 1    5   24   39 o  215.617   35.529   1.2944   0.3888   1.5115   0.5421   1.0645   0.5578  235.028   46.510  196.207   53.723 38.82053 71.05828 
1 1 1    5   24   41 o  325.379   31.800   2.8304   0.5282   3.1395   0.7372   2.5044   0.7572  344.509   41.620  306.249   48.091 38.26022 63.59986 
1 1 1    5   24   43 o  345.243   32.109   3.1814   0.5697   3.0718   0.7975   3.2958   0.8143  339.074   45.745  351.412   45.070 -12.33838 64.21796 
1 1 1    5   24   45 o  195.759   44.561   1.0559   0.5110   1.2125   0.7415   0.9143   0.7052  206.870   63.569  184.648   62.463 22.22241 89.12144 
1 1 1    5   24   47 o  245.533   48.240   1.7845   0.6316   1.6251   0.8746   1.9584   0.9132  234.392   68.358  256.675   68.086 -22.28288 96.48076 
1 1 1    5   24   49 o  270.900   34.632   2.0565   0.4676   2.4677   0.6710   1.6685   0.6519  301.455   43.296  240.345   54.064 61.11044 69.26382 
1 1 1    5   24   51 o  410.806   33.233   4.6869   0.6856   3.5206   0.9444   5.9864   0.9968  353.274   51.997  468.337   41.400 -115.0633 66.46503 
1 1 1    5   24   53 o  276.759   36.220   2.2428   0.4963   2.3070   0.7024   2.1787   0.7014  281.318   50.416  272.201   52.017 9.116699 72.44007 
1 1 1    5   25    0 o  125.939   50.366   0.5190   0.5175   0.7226   0.6858   0.2496   0.7888  138.948   72.830  112.930   69.589 -0.000000 0.000000 
1 1 1    5   25    2 o  1119.78   28.649   32.325   1.6492   32.707   2.3549   31.957   2.3103  1126.25   40.669  1113.30   40.363 12.95410 57.29845 
1 1 1    5   25    4 o  1139.55   28.592   33.625   1.6677   30.607   2.3906   36.487   2.3277  1089.33   42.684  1189.77   38.053 -100.4385 57.18403 
1 1 1    5   25    6 o  2052.83   41.037  108.506   3.6659  108.060   4.1852  109.976   7.5983  2047.24   39.763  2058.43   71.798 -11.19250 82.07343 
1 1 1    5   25    8 o  1588.84   47.460   65.006   3.8598   60.896   5.1713   70.176   5.7998  1532.83   65.620  1644.86   68.583 -112.0283 94.91927 
1 1 1    5   25   10 o  840.795   37.673   18.020   1.5469   19.082   2.6731   17.485   1.8969  858.479   60.563  823.112   44.824 35.36761 75.34629 
1 1 1    5   25   12 o  1753.53   30.814   79.407   2.7761   77.068   3.9575   81.674   3.8952  1727.93   44.548  1779.13   42.585 -51.19690 61.62749 
1 1 1    5   25   14 o  2416.88   30.157  150.787   3.7464  154.070   5.2865  147.475   5.3100  2443.43   42.082  2390.32   43.208 53.11426 60.31499 
1 1 1    5   25   16 o  543.826   30.337   7.6352   0.8480   7.4073   1.1943   7.8669   1.2042  535.617   43.371  552.035   42.430 -16.41821 60.67399 
1 1 1    5   25   18 o  715.282   35.918   12.672   1.2588   15.096   2.2079   11.505   1.5323  763.259   56.264  667.305   44.663 95.95453 71.83588 
1 1 1    5   25   20 o  1510.60   34.751   59.363   2.5568   60.025   3.1573   58.102   4.3580  1524.58   40.281  1496.61   56.638 27.96655 69.50105 
1 1 1    5   25   22 o  1745.80   29.122   79.068   2.6036   85.181   3.6315   72.602   3.7347  1816.01   38.895  1675.60   43.353 140.4097 58.24346 
1 1 1    5   25   24 f  1246.80   35.863   39.196   2.1307   37.391   2.5439   43.440   3.9002  1202.15   41.159  1291.45   58.741 -89.29968 71.72588 
1 1 1    5   25   26 o  1071.87   36.285   30.676   1.8793   27.503   3.1724   32.392   2.3326  1025.58   60.167  1118.16   40.577 -92.58264 72.57070 
1 1 1    5   25   28 o  2310.86   28.847  138.629   3.4260  139.845   4.7928  137.359   4.8991  2321.57   40.155  2300.16   41.428 21.41357 57.69484 
1 1 1    5   25   30 o  650.281   29.437   11.017   0.9824   11.687   1.3830   10.335   1.3957  670.540   40.118  630.023   43.088 40.51666 58.87304 
1 1 1    5   25   32 o  701.421   29.626   12.819   1.0641   11.314   1.4766   14.444   1.5347  658.219   43.634  744.623   40.088 -86.40460 59.25292 
1 1 1    5   25   34 o  679.410   36.254   12.206   1.1866   12.260   1.4485   12.095   2.0690  684.812   41.140  674.009   59.707 10.80280 72.50842 
1 1 1    5   25   36 o  465.790   38.676   5.6825   0.8513   5.5385   1.0154   6.0229   1.5616  459.103   43.019  472.477   64.285 -13.37354 77.35113 
1 1 1    5   25   38 o  414.222   31.571   4.5637   0.6661   5.2338   0.9388   3.8844   0.9452  445.945   40.947  382.500   48.065 63.44464 63.14146 
1 1 1    5   25   40 o  487.936   31.155   6.3194   0.7787   5.6570   1.0907   7.0080   1.1121  461.159   46.004  514.712   42.026 -53.55219 62.31040 
1 1 1    5   25   42 f  909.778   30.189   21.992   1.4120   21.629   1.9893   22.360   2.0044  902.071   42.892  917.485   42.493 -15.41382 60.37757 
1 1 1    5   25   44 o  520.772   39.273   7.4766   0.9897   7.2331   1.6919   7.6032   1.2203  508.640   64.699  532.904   44.538 -24.26440 78.54695 
1 1 1    5   25   46 o  389.021   40.136   4.0701   0.7484   3.8524   0.8992   4.5611   1.3502  377.334   46.351  400.708   65.539 -23.37393 80.27294 
1 1 1    5   25   48 o  252.767   35.895   1.8609   0.4548   2.4784   0.6299   1.1884   0.6574  303.410   40.381  202.124   59.357 101.2864 71.79012 
1 1 1    5   25   50 o  276.687   35.688   2.2120   0.4840   1.3631   0.6721   3.1263   0.6975  213.894   59.138  339.481   39.964 -125.5872 71.37511 
1 1 1    5   25   52 o  404.701   32.096   4.5770   0.6663   4.9206   0.9449   4.2371   0.9398  421.031   43.652  388.371   47.066 32.65982 64.19237 
1 1 1    5   26    1 o  766.177   32.191   15.114   1.2441   14.965   1.6071   15.336   1.9654  761.776   41.034  770.578   49.610 -8.801392 64.38124 
1 1 1    5   26    3 o  601.523   32.642   9.2156   0.9915   8.7223   1.2724   9.9780   1.5819  581.489   42.562  621.558   49.503 -40.06848 65.28432 
1 1 1    5   26    5 o  1607.81   32.735   67.205   2.6282   68.821   3.3628   64.668   4.2130  1633.67   40.038  1581.95   51.800 51.72021 65.46938 
1 1 1    5   26    7 o  438.877   56.511   5.4549   1.1985   7.5373   1.6401   3.0690   1.7556  539.613   59.119  338.141   96.326 201.4720 113.0212 
1 1 1    5   26    9 o  1182.08   39.926   37.117   2.2560   33.442   3.8977   38.968   2.7665  1135.38   66.773  1228.79   43.792 -93.41040 79.85156 
1 1 1    5   26   11 o  281.475   45.774   2.1620   0.6033   1.8801   1.1582   2.2670   0.7068  266.671   78.920  296.280   46.399 -29.60889 91.54881 
1 1 1    5   26   13 o  929.055   31.130   22.329   1.4836   20.768   2.1097   23.856   2.0867  896.712   45.760  961.398   42.216 -64.68555 62.25916 
1 1 1    5   26   15 o  498.945   31.356   6.4309   0.8042   6.5722   1.1374   6.2896   1.1373  504.452   43.854  493.438   44.830 11.01450 62.71270 
1 1 1    5   26   17 o  538.143   41.250   8.0173   1.0243   6.2757   1.8014   8.8493   1.2451  490.860   71.380  585.426   41.368 -94.56561 82.50096 
1 1 1    5   26   19 o  1592.24   34.890   66.045   2.7214   67.012   3.3851   64.279   4.5760  1610.60   40.880  1573.89   56.551 36.70911 69.77982 
1 1 1    5   26   21 o  671.947   29.886   11.654   1.0291   10.404   1.4255   13.016   1.4872  634.228   43.718  709.666   40.761 -75.43842 59.77222 
1 1 1    5   26   23 o  599.597   42.018   10.199   1.1204   11.290   1.3363   7.6158   2.0558  660.711   39.340  538.483   74.258 122.2278 84.03506 
1 1 1    5   26   25 o  523.692   35.110   6.9009   0.9137   8.0334   1.5434   6.2900   1.1336  555.110   54.080  492.274   44.791 62.83560 70.22029 
1 1 1    5   26   27 o  1526.84   29.061   60.513   2.2807   60.212   3.1872   60.828   3.2651  1523.10   40.701  1530.59   41.493 -7.485229 58.12281 
1 1 1    5   26   29 o  641.430   29.454   10.698   0.9704   10.075   1.3560   11.352   1.3895  622.166   42.391  660.694   40.906 -38.52753 58.90867 
1 1 1    5   26   31 o  626.667   29.875   10.241   0.9605   9.3802   1.3417   11.146   1.3757  599.375   43.539  653.960   40.918 -54.58575 59.74937 
1 1 1    5   26   33 o  740.495   42.853   14.683   1.6207   12.963   2.3120   16.345   2.2724  695.844   64.626  785.145   56.295 -89.30042 85.70663 
1 1 1    5   26   35 o  200.165   41.446   1.1276   0.4406   1.2483   0.5226   0.8311   0.8192  213.329   48.721  187.002   67.061 26.32668 82.89106 
1 1 1    5   26   37 o  450.876   38.308   5.4286   0.8378   5.4734   1.4458   5.4059   1.0280  449.304   62.587  452.449   44.192 -3.144867 76.61668 
1 1 1    5   26   39 o  420.758   31.591   4.7005   0.6792   4.0620   0.9469   5.3773   0.9749  390.552   47.159  450.964   42.047 -60.41183 63.18164 
1 1 1    5   26   41 o  591.983   30.881   9.3438   0.9369   10.084   1.3171   8.5859   1.3329  616.714   41.541  567.253   45.703 49.46088 61.76118 
1 1 1    5   26   43 o  905.053   30.810   21.884   1.4316   20.479   2.0157   23.314   2.0335  874.750   44.821  935.355   42.287 -60.60541 61.62046 
1 1 1    5   26   45 o  479.616   39.493   6.4981   0.9008   6.7988   1.1041   5.8996   1.5576  503.508   42.650  455.724   66.481 47.78445 78.98595 
1 1 1    5   26   47 o  797.750   39.108   17.812   1.5045   17.571   2.5966   17.933   1.8460  782.231   64.564  813.270   44.149 -31.03967 78.21580 
1 1 1    5   26   49 o  462.117   32.285   5.8650   0.7666   5.6653   1.0624   6.0819   1.1072  454.014   45.515  470.220   45.799 -16.20584 64.56927 
1 1 1    5   26   51 o  353.667   36.055   3.5930   0.6267   2.8201   0.8742   4.4101   0.8989  308.245   57.274  399.089   43.812 -90.84424 72.10960 
1 1 1    5   27    0 o  283.666   95.988   2.6878   1.2530   2.6878   1.2530   0.0000   0.0000  283.666   95.988  283.666   95.988 0.000000 0.000000 
1 1 1    5   27    2 o  268.785   46.580   2.0960   0.6594   1.0374   1.1411   2.6269   0.8080  218.687   79.057  318.884   49.284 -100.1975 93.16049 
1 1 1    5   27    4 o  566.489   43.497   8.1978   1.2284   8.7798   2.0287   7.8608   1.5436  581.670   67.839  551.306   54.459 30.36414 86.99322 
1 1 1    5   27    6 o  989.792   39.122   25.265   1.9908   0.0000   0.0000   25.265   1.9908  ?   ?   989.792   39.122      ?      ? 
1 1 1    5   27    8 o  633.024   45.413   10.888   1.3085   9.2928   2.4181   11.549   1.5560  597.257   78.749  668.790   45.253 -71.53271 90.82545 
1 1 1    5   27   10 o  976.817   32.270   24.646   1.6190   24.560   2.3400   24.725   2.2424  975.082   46.677  978.552   44.572 -3.470886 64.54025 
1 1 1    5   27   12 o  1472.35   31.422   56.077   2.3747   53.442   3.3979   58.593   3.3202  1438.25   45.953  1506.45   42.869 -68.20435 62.84406 
1 1 1    5   27   14 o  918.895   40.294   22.228   1.7395   21.016   3.1420   22.764   2.0889  898.958   67.982  938.831   43.277 -39.87262 80.58769 
1 1 1    5   27   16 o  683.699   43.953   12.338   1.5129   10.991   2.3104   13.349   2.0017  649.647   69.174  717.751   54.246 -68.10388 87.90667 
1 1 1    5   27   18 o  352.578   36.017   3.2084   0.6306   3.1734   0.7930   3.2686   1.0400  350.321   44.031  354.836   57.011 -4.514618 72.03458 
1 1 1    5   27   20 o  1927.60   29.623   96.119   2.9338   97.320   4.0909   94.847   4.2097  1940.24   41.010  1914.96   42.758 25.28320 59.24596 
1 1 1    5   27   22 o  582.876   39.373   8.8187   1.0577   8.7865   1.2449   8.9023   2.0053  582.584   41.563  583.169   66.884 -0.5847168 78.74638 
1 1 1    5   27   24 o  430.905   35.211   4.4995   0.7524   6.3296   1.2814   3.5365   0.9295  493.096   50.544  368.713   49.034 124.3824 70.42104 
1 1 1    5   27   26 o  903.491   29.618   21.286   1.3702   22.698   1.8999   19.755   1.9779  935.357   39.507  871.625   44.137 63.73273 59.23591 
1 1 1    5   27   28 o  1280.35   29.313   42.679   1.9279   43.671   2.6927   41.634   2.7615  1296.01   40.412  1264.68   42.471 31.33154 58.62538 
1 1 1    5   27   30 o  1207.98   29.511   38.077   1.8314   38.861   2.5592   37.255   2.6221  1221.12   40.763  1194.84   42.684 26.28125 59.02194 
1 1 1    5   27   32 o  833.548   42.179   18.519   1.8028   17.051   2.5523   19.980   2.5469  799.341   62.106  867.755   57.087 -68.41351 84.35726 
1 1 1    5   27   34 o  1169.02   29.676   35.852   1.7834   35.620   2.5029   36.091   2.5418  1165.28   41.777  1172.75   42.157 -7.464111 59.35100 
1 1 1    5   27   36 o  573.569   37.258   8.7979   1.0433   8.7203   1.7695   8.8393   1.2918  568.222   60.572  578.915   43.401 -10.69305 74.51582 
1 1 1    5   27   38 o  484.869   30.974   6.2335   0.7714   6.4588   1.0838   6.0022   1.0983  494.125   42.662  475.612   44.916 18.51297 61.94791 
1 1 1    5   27   40 f  465.838   31.273   5.7741   0.7488   5.9279   1.0638   5.6230   1.0543  472.131   43.825  459.545   44.624 12.58591 62.54514 
1 1 1    5   27   42 o  209.625   37.981   1.2367   0.4115   1.1485   0.5724   1.3311   0.5919  201.942   54.057  217.307   53.369 -15.36514 75.96291 
1 1 1    5   27   44 o  541.122   36.523   7.5593   0.9725   6.5909   1.1860   9.5458   1.6987  494.012   46.697  588.232   56.171 -94.22025 73.04649 
1 1 1    5   27   46 o  420.820   52.272   5.4507   1.0593   2.9627   1.4762   8.0920   1.5210  302.302   88.998  539.338   54.853 -237.0360 104.5444 
1 1 1    5   27   48 o  510.826   32.712   7.1724   0.8591   7.2472   1.2155   7.0978   1.2143  513.652   46.028  508.000   46.495 5.652344 65.42410 
1 1 1    5   27   50 o  160.203   35.305   0.7050   0.3422   1.0468   0.4849   0.3662   0.4829  189.577   49.294  130.829   50.555 58.74745 70.60948 
1 1 1    5   28    1 o  1131.98   43.816   33.495   2.3830   32.407   4.1592   34.026   2.9075  1116.47   72.460  1147.48   49.284 -31.01184 87.63188 
1 1 1    5   28    3 o  255.178   44.154   1.8406   0.5319   1.3158   1.0813   2.0082   0.6110  231.406   77.353  278.950   42.600 -47.54405 88.30799 
1 1 1    5   28    5 o  1442.79   28.649   53.790   2.1217   51.549   3.0441   55.907   2.9588  1413.34   41.893  1472.25   39.090 -58.90686 57.29837 
1 1 1    5   28    7 o  730.208   31.861   14.058   1.1690   15.638   1.5575   12.019   1.7689  778.624   38.908  681.791   50.464 96.83307 63.72113 
1 1 1    5   28    9 f  743.677   33.398   14.291   1.2755   14.333   1.8496   14.252   1.7614  744.648   48.312  742.705   46.128 1.943176 66.79691 
1 1 1    5   28   11 o  2213.01   32.032  126.847   3.6354  119.875   5.2273  133.378   5.0593  2153.49   47.213  2272.54   43.303 -119.0483 64.06396 
1 1 1    5   28   13 o  1817.52   40.044   85.181   3.4224   86.753   6.2921   84.520   4.0784  1826.34   67.011  1808.70   43.859 17.63708 80.08752 
1 1 1    5   28   15 o  655.998   43.790   11.205   1.4510   11.075   2.2668   11.296   1.8886  652.062   67.616  659.933   55.662 -7.871521 87.58022 
1 1 1    5   28   17 o  1057.26   30.515   28.907   1.6582   29.147   2.3227   28.657   2.3680  1061.83   42.548  1052.69   43.753 9.141968 61.03010 
1 1 1    5   28   19 o  2444.31   30.003  154.686   3.7671  157.957   5.2537  151.225   5.4043  2471.32   41.349  2417.30   43.485 54.01831 60.00606 
1 1 1    5   28   21 o  529.385   38.450   6.9320   0.9628   6.4200   1.1369   8.2304   1.8106  497.646   44.437  561.124   62.762 -63.47791 76.90079 
1 1 1    5   28   23 o  288.310   39.681   2.2790   0.5519   1.9742   0.9070   2.4581   0.6954  268.908   66.076  307.711   43.957 -38.80392 79.36163 
1 1 1    5   28   25 o  852.779   29.745   18.914   1.3028   19.543   1.8230   18.257   1.8624  867.536   40.872  838.021   43.227 29.51447 59.49027 
1 1 1    5   28   27 o  185.718   35.366   0.9358   0.3493   1.1110   0.4856   0.7480   0.5028  202.310   47.502  169.126   52.408 33.18347 70.73186 
1 1 1    5   28   29 o  549.129   30.196   7.8727   0.8522   8.0254   1.1973   7.7159   1.2132  554.665   41.984  543.593   43.411 11.07166 60.39193 
1 1 1    5   28   31 o  203.183   42.841   1.1062   0.4984   1.4725   0.6933   0.7145   0.7169  231.078   58.345  175.288   62.748 55.79005 85.68188 
1 1 1    5   28   33 o  913.407   29.976   21.927   1.4052   23.261   1.9799   20.573   1.9948  942.097   40.877  884.718   43.854 57.37866 59.95149 
1 1 1    5   28   35 o  316.762   49.560   2.8273   0.7782   2.7228   1.0220   2.9715   1.2007  311.137   65.936  322.387   74.007 -11.25015 99.11951 
1 1 1    5   28   37 o  1082.20   30.338   30.994   1.6872   31.593   2.3685   30.378   2.4041  1093.36   42.135  1071.05   43.660 22.31848 60.67560 
1 1 1    5   28   39 o  479.296   32.079   6.1858   0.7734   7.6788   1.1006   4.7295   1.0870  539.035   39.712  419.557   50.391 119.4782 64.15879 
1 1 1    5   28   41 o  260.278   34.188   1.8513   0.4477   1.7207   0.6317   1.9830   0.6345  248.306   51.188  272.250   45.334 -23.94380 68.37675 
1 1 1    5   28   43 o  347.109   48.327   3.4779   0.8417   4.6403   1.2290   2.4511   1.1551  409.292   58.404  284.927   77.014 124.3646 96.65491 
1 1 1    5   28   45 o  331.957   50.257   3.3485   0.8516   4.2416   1.1773   2.3685   1.2333  388.615   58.924  275.299   81.430 113.3165 100.5134 
1 1 1    5   28   47 o  341.203   37.321   3.4023   0.6021   4.6425   0.8477   2.1397   0.8553  414.778   39.752  267.629   63.177 147.1492 74.64269 
1 1 1    5   28   49 o  224.654   37.957   1.4801   0.4349   1.2258   0.6004   1.7607   0.6307  203.207   55.776  246.101   51.498 -42.89430 75.91438 
1 1 1    5   28   51 o  201.920   41.667   1.1908   0.4328   1.4431   0.7850   1.0807   0.5187  213.481   65.379  190.360   51.675 23.12050 83.33456 
1 1 1    5   29    0 o  515.166   57.456   7.3378   1.4064   7.0010   1.9262   7.7225   2.0583  501.830   80.985  528.502   81.524 -0.000000 0.000000 
1 1 1    5   29    2 o  860.688   32.991   19.443   1.4241   20.749   1.8603   17.594   2.2134  896.717   40.352  824.660   52.206 72.05634 65.98293 
1 1 1    5   29    4 o  1985.28   28.867  101.724   2.9452  101.576   4.2240  101.864   4.1088  1983.76   41.416  1986.79   40.224 -3.037231 57.73473 
1 1 1    5   29    6 o  982.012   28.669   24.850   1.4461   26.344   2.0896   23.476   2.0032  1010.33   40.229  953.699   40.855 56.62671 57.33706 
1 1 1    5   29    8 o  1006.22   31.063   26.168   1.5901   26.259   2.1044   26.048   2.4276  1008.61   40.583  1003.83   47.038 4.780640 62.12547 
1 1 1    5   29   10 o  523.485   44.916   7.1872   1.0775   6.9650   2.0407   7.2731   1.2688  516.555   76.843  530.416   46.529 -13.86053 89.83191 
1 1 1    5   29   12 o  1916.12   44.772   95.117   4.3201   97.088   6.8668   93.826   5.5579  1930.41   69.189  1901.82   56.842 28.58704 89.54389 
1 1 1    5   29   14 o  1193.45   35.819   36.772   2.1458   36.316   2.7444   37.490   3.4421  1184.92   45.049  1201.98   55.701 -17.06311 71.63821 
1 1 1    5   29   16 o  395.203   33.035   4.0552   0.6674   4.5796   0.9482   3.5405   0.9395  420.760   43.835  369.645   49.434 51.11475 66.06952 
1 1 1    5   29   18 o  403.703   32.175   4.2257   0.6673   4.3523   0.9365   4.0951   0.9512  409.926   44.434  397.480   46.547 12.44571 64.35094 
1 1 1    5   29   20 o  1562.89   40.192   63.881   2.8857   64.100   3.3963   63.313   5.4722  1572.83   42.000  1552.95   68.539 19.88013 80.38393 
1 1 1    5   29   22 o  1131.21   36.893   34.396   2.0323   29.859   3.3413   37.060   2.5603  1067.24   60.896  1195.17   41.666 -127.9369 73.78640 
1 1 1    5   29   24 o  544.191   30.974   7.7212   0.8645   8.0982   1.2030   7.3185   1.2433  558.233   41.915  530.149   45.616 28.08374 61.94897 
1 1 1    5   29   26 o  746.634   30.261   14.529   1.1609   14.820   1.6235   14.224   1.6605  754.503   41.852  738.766   43.719 15.73669 60.52262 
1 1 1    5   29   28 o  1417.83   29.844   52.481   2.1742   53.327   3.0397   51.594   3.1111  1429.96   41.347  1405.69   43.049 24.27649 59.68863 
1 1 1    5   29   30 o  139.606   36.241   0.3561   0.3793  -0.2487   0.6237   0.7111   0.4778  114.824   51.387  164.387   51.118 -49.56291 72.48249 
1 1 1    5   29   32 o  699.228   30.285   12.831   1.0872   11.944   1.5187   13.764   1.5572  674.113   43.819  724.343   41.816 -50.22937 60.56926 
1 1 1    5   29   34 o  566.045   45.145   8.7587   1.3024   9.5134   1.7885   7.9066   1.9004  594.596   58.505  537.494   68.772 57.10162 90.29047 
1 1 1    5   29   36 o  545.321   31.779   7.8894   0.8880   8.7260   1.2698   7.0887   1.2423  574.331   43.004  516.311   46.801 58.01984 63.55862 
1 1 1    5   29   38 o  843.420   31.015   18.921   1.3402   16.984   1.8786   20.928   1.9125  798.203   45.776  888.638   41.861 -90.43561 62.03097 
1 1 1    5   29   40 o  764.029   30.833   15.566   1.2111   15.603   1.7080   15.529   1.7176  765.048   43.423  763.010   43.785 2.037842 61.66584 
1 1 1    5   29   42 o  183.834   42.481   0.9194   0.4529   0.9261   0.7413   0.9155   0.5720  186.183   64.029  181.486   55.846 4.696548 84.96154 
1 1 1    5   29   44 o  292.754   44.955   2.6249   0.6301   2.8981   0.7644   2.0455   1.1131  327.057   45.458  258.451   77.572 68.60544 89.90994 
1 1 1    5   29   46 o  459.119   33.191   5.7853   0.7834   5.6927   1.1040   5.8792   1.1119  455.279   47.164  462.960   46.714 -7.680969 66.38259 
1 1 1    5   29   48 o  175.693   36.880   0.8699   0.3581   0.6917   0.4753   1.1039   0.5448  157.313   51.225  194.073   53.071 -36.75990 73.76012 
1 1 1    5   29   50 o  139.654   32.967   0.5113   0.3078   0.8138   0.4061   0.1031   0.4718  167.441   45.839  111.868   47.393 55.57343 65.93397 
1 1 1    5   30    1 o  1012.29   35.824   26.515   1.8643   26.796   2.6323   26.232   2.6409  1017.72   50.307  1006.86   51.016 10.85535 71.64838 
1 1 1    5   30    3 o  1688.12   29.039   73.604   2.5191   71.980   3.5895   75.179   3.5363  1669.63   41.816  1706.60   40.304 -36.96631 58.07756 
1 1 1    5   30    5 o  961.039   29.151   23.820   1.4395   24.704   2.0782   23.005   1.9958  978.154   41.325  943.924   41.126 34.22937 58.30206 
1 1 1    5   30    7 o  1699.33   32.643   74.905   2.7459   73.731   4.5249   75.588   3.4547  1687.42   52.157  1711.23   39.267 -23.81091 65.28638 
1 1 1    5   30    9 o  2385.17   46.346  147.485   5.5757  150.872   8.8236  145.234   7.1941  2405.21   71.354  2365.14   59.163 40.07104 92.69141 
1 1 1    5   30   11 o  566.886   38.281   8.3007   1.0948   8.1635   1.4127   8.5071   1.7324  561.500   48.936  572.271   58.880 -10.77026 76.56137 
1 1 1    5   30   13 o  193.421   37.414   1.0135   0.3998   0.5968   0.5948   1.3567   0.5398  162.171   57.252  224.671   48.182 -62.49985 74.82815 
1 1 1    5   30   15 o  201.920   35.666   1.0573   0.3990   1.7478   0.5825   0.4471   0.5476  255.977   45.949  147.862   54.561 108.1156 71.33163 
1 1 1    5   30   17 o  708.212   31.415   13.003   1.1432   13.533   1.6173   12.475   1.6161  722.740   43.524  693.684   45.313 29.05530 62.83024 
1 1 1    5   30   19 o  741.816   41.986   14.450   1.4141   14.526   1.6538   14.245   2.7269  748.381   42.984  735.251   72.138 13.13007 83.97289 
1 1 1    5   30   21 o  582.106   39.012   9.3670   1.0902   7.1338   1.7606   10.756   1.3883  520.531   65.787  643.682   41.951 -123.1506 78.02467 
1 1 1    5   30   23 o  463.090   31.776   5.5594   0.7543   5.0057   1.0320   6.1945   1.1053  438.330   45.793  487.850   44.067 -49.51996 63.55238 
1 1 1    5   30   25 o  661.445   30.659   11.395   1.0419   10.848   1.4528   11.975   1.4951  645.007   43.811  677.883   42.900 -32.87604 61.31749 
1 1 1    5   30   27 o  464.496   31.515   5.6541   0.7506   5.8679   1.0379   5.4197   1.0869  474.065   42.584  454.928   46.469 19.13608 63.03014 
1 1 1    5   30   29 o  920.923   43.016   22.605   2.0321   22.794   2.9801   22.441   2.7781  923.437   62.769  918.410   58.835 5.026794 86.03245 
1 1 1    5   30   31 o  429.902   31.681   4.8613   0.6983   4.3958   0.9739   5.3538   1.0018  408.372   46.384  451.431   43.165 -43.05893 63.36156 
1 1 1    5   30   33 o  542.212   46.369   7.8614   1.2811   6.7732   1.6894   9.3338   1.9652  498.691   65.893  585.733   65.258 -87.04160 92.73888 
1 1 1    5   30   35 o  822.017   30.834   17.889   1.3030   17.891   1.8303   17.886   1.8554  822.255   43.295  821.779   43.916 0.4757080 61.66863 
1 1 1    5   30   37 o  697.246   30.894   12.903   1.1067   12.566   1.5307   13.273   1.6019  687.926   43.280  706.567   44.098 -18.64050 61.78804 
1 1 1    5   30   39 o  578.022   31.196   8.9079   0.9266   8.5123   1.2929   9.3255   1.3285  564.637   44.538  591.408   43.693 -26.77094 62.39175 
1 1 1    5   30   41 o  299.117   46.474   2.5822   0.7163   1.8521   1.0043   3.3382   1.0219  250.202   73.333  348.031   57.109 -97.82848 92.94704 
1 1 1    5   30   43 o  395.393   33.273   4.2641   0.6726   3.8156   0.9586   4.6991   0.9440  373.492   49.921  417.294   44.003 -43.80222 66.54580 
1 1 1    5   30   45 o  461.130   38.917   5.5388   0.8850   7.6450   1.5421   4.5043   1.0808  519.888   57.694  402.373   52.244 117.5152 77.83308 
1 1 1    5   30   47 o  408.220   33.831   4.6698   0.7026   5.1813   0.9708   4.1070   1.0183  434.591   43.448  381.849   51.869 52.74210 67.66195 
1 1 1    5   30   49 o  392.029   33.577   4.3514   0.6709   4.9040   0.9430   3.7848   0.9548  420.026   43.667  364.032   51.018 55.99341 67.15369 
1 1 1    5   31    0 o  310.955   93.791   3.1007   1.3075   0.0000   0.0000   3.1007   1.3075  310.955   93.791  310.955   93.791 0.000000 0.000000 
1 1 1    5   31    2 o  2463.67   42.806  158.840   5.1805  161.855   6.4735  153.470   8.6391  2500.31   50.359  2427.02   69.235 73.29590 85.61267 
1 1 1    5   31    4 o  260.587   42.147   1.8164   0.5528   2.1320   0.8167   1.5496   0.7510  281.510   58.342  239.664   60.842 41.84602 84.29459 
1 1 1    5   31    6 o  907.329   41.203   21.317   1.8936   21.033   2.4673   21.725   2.9539  900.725   53.279  913.934   62.866 -13.20892 82.40627 
1 1 1    5   31    8 o  1046.48   39.886   28.036   2.1265   25.681   2.7879   31.313   3.2884  994.981   54.499  1097.98   58.253 -102.9961 79.77180 
1 1 1    5   31   10 f  1093.43   37.818   30.760   2.0897   29.693   2.6960   32.365   3.3076  1070.68   48.977  1116.19   57.638 -45.51038 75.63653 
1 1 1    5   31   12 o  1256.93   32.407   40.875   2.0932   42.029   3.0179   39.806   2.9057  1273.95   46.077  1239.90   45.582 34.05127 64.81358 
1 1 1    5   31   14 o  1053.12   31.941   28.721   1.7286   29.993   2.4763   27.512   2.4141  1075.92   44.767  1030.32   45.574 45.60425 63.88283 
1 1 1    5   31   16 o  570.609   32.297   8.4593   0.9456   7.8438   1.3372   9.0748   1.3372  549.628   47.322  591.589   43.966 -41.96051 64.59418 
1 1 1    5   31   18 o  387.748   52.016   4.7563   0.8740   5.5808   1.0305   2.6438   1.6497  463.711   43.226  311.784   94.627 151.9266 104.0327 
1 1 1    5   31   20 o  1369.15   36.356   49.085   2.4718   48.355   4.0400   49.521   3.1250  1358.20   57.856  1380.09   44.043 -21.89502 72.71259 
1 1 1    5   31   22 o  759.956   30.941   15.039   1.2082   15.114   1.6836   14.960   1.7349  762.062   42.972  757.850   44.527 4.212341 61.88100 
1 1 1    5   31   24 o  928.732   30.537   22.492   1.4576   22.513   2.0369   22.469   2.0868  929.359   42.630  928.106   43.734 1.253235 61.07381 
1 1 1    5   31   26 o  846.169   30.647   18.738   1.3313   19.337   1.8531   18.099   1.9137  860.621   41.881  831.716   44.755 28.90497 61.29439 
1 1 1    5   31   28 o  746.780   44.563   15.198   1.6733   12.139   2.4294   17.960   2.3081  670.229   70.501  823.332   54.526 -153.1031 89.12649 
1 1 1    5   31   30 o  143.136   34.376   0.4794   0.3123   0.2634   0.4362   0.7068   0.4474  123.573   47.966  162.699   49.256 -39.12541 68.75254 
1 1 1    5   31   32 o  710.377   40.814   13.796   1.3558   14.162   1.6279   12.969   2.4494  732.853   43.205  687.900   69.256 44.95227 81.62794 
1 1 1    5   31   34 o  412.055   34.995   4.6137   0.7211   5.7463   1.0134   3.4524   1.0262  466.287   42.274  357.822   55.781 108.4658 69.99016 
1 1 1    5   31   36 o  675.358   31.732   12.242   1.0908   13.787   1.5172   10.588   1.5695  721.826   40.884  628.890   48.541 92.93634 63.46436 
1 1 1    5   31   38 o  215.069   37.992   1.3055   0.4189   1.3707   0.5756   1.2320   0.6109  221.161   51.570  208.977   55.804 12.18385 75.98436 
1 1 1    5   31   40 o  317.215   43.875   2.8661   0.6642   2.7883   1.1354   2.9066   0.8190  306.550   73.073  327.880   48.586 -21.33066 87.75069 
1 1 1    5   31   42 f  442.555   32.406   5.3128   0.7349   5.4505   1.0085   5.1569   1.0731  449.737   43.616  435.374   47.940 14.36307 64.81157 
1 1 1    5   31   44 o  156.738   43.695   0.2772   0.4747   0.0000   0.5509   1.0764   0.9354  115.782   50.161  197.694   71.561 -81.91199 87.39039 
1 1 1    5   31   46 o  453.052   34.208   5.6862   0.7929   4.9713   1.0903   6.4886   1.1551  421.541   50.309  484.563   46.367 -63.02231 68.41700 
1 1 1    5   31   48 o  344.567   35.149   3.3662   0.6217   3.5897   0.8844   3.1478   0.8742  356.836   48.206  332.298   51.167 24.53769 70.29865 
1 1 1    5   32    1 o  2067.06   49.886  111.520   5.3004  112.145   7.5863  110.924   7.4085  2072.42   71.200  2061.69   69.894 10.73486 99.77285 
1 1 1    5   32    3 o  1045.40   43.361   28.855   2.2333   30.056   2.8194   26.831   3.6591  1076.95   50.921  1013.86   70.198 63.08893 86.72226 
1 1 1    5   32    5 o  1214.77   37.568   37.125   2.1676   35.391   2.5805   41.280   3.9946  1169.94   42.902  1259.61   61.684 -89.67603 75.13641 
1 1 1    5   32    7 o  580.682   29.494   8.7119   0.8801   9.1068   1.2617   8.3377   1.2282  593.519   41.346  567.846   42.071 25.67340 58.98706 
1 1 1    5   32    9 o  603.434   31.910   9.5156   0.9748   10.002   1.2914   8.8711   1.4860  621.969   40.386  584.900   49.417 37.06958 63.82071 
1 1 1    5   32   11 o  569.547   34.250   8.4282   1.0012   8.1248   1.4411   8.7113   1.3920  559.441   50.104  579.653   46.709 -20.21143 68.49958 
1 1 1    5   32   13 o  1591.56   32.509   65.763   2.6577   64.399   3.8163   67.048   3.7034  1575.16   47.124  1607.97   44.797 -32.80493 65.01897 
1 1 1    5   32   15 o  479.287   33.389   5.9741   0.8214   5.5647   1.1580   6.3888   1.1654  462.583   48.690  495.992   45.701 -33.40897 66.77778 
1 1 1    5   32   17 o  371.300   45.767   3.3468   0.7722   2.9379   0.8967   4.5197   1.5186  335.568   51.978  407.032   75.345 -71.46432 91.53429 
1 1 1    5   32   19 o  972.515   37.022   24.878   1.7810   24.148   2.9254   25.309   2.2450  958.782   59.347  986.247   44.276 -27.46509 74.04305 
1 1 1    5   32   21 o  573.769   31.648   8.6125   0.9300   9.2902   1.2993   7.9006   1.3317  597.421   42.303  550.118   47.085 47.30304 63.29692 
1 1 1    5   32   23 o  1175.80   30.985   36.120   1.8711   37.183   2.6139   35.004   2.6795  1194.05   42.580  1157.56   45.024 36.49170 61.96941 
1 1 1    5   32   25 o  484.778   32.106   6.1592   0.7996   6.2837   1.1177   6.0287   1.1445  490.001   44.369  479.555   46.419 10.44614 64.21292 
1 1 1    5   32   27 o  541.871   44.551   7.8157   1.2364   8.4273   1.8502   7.3222   1.6619  560.485   64.208  523.256   61.777 37.22827 89.10147 
1 1 1    5   32   29 o  784.059   30.988   16.184   1.2482   16.598   1.7469   15.751   1.7841  794.750   42.753  773.367   44.870 21.38245 61.97630 
1 1 1    5   32   31 o  141.203   36.932   0.4037   0.3756   0.6583   0.4796   0.0000   0.6039  158.895   51.439  123.511   53.008 35.38462 73.86360 
1 1 1    5   32   33 o  670.564   38.206   12.115   1.2485   12.013   2.1241   12.168   1.5431  663.562   62.262  677.566   44.298 -14.00446 76.41240 
1 1 1    5   32   35 o  236.706   36.917   1.5772   0.4505   2.0403   0.6223   1.0673   0.6530  277.114   43.680  196.297   59.527 80.81673 73.83363 
1 1 1    5   32   37 o  654.224   31.944   11.520   1.0641   13.102   1.4908   9.8766   1.5192  702.412   41.281  606.035   48.759 96.37714 63.88739 
1 1 1    5   32   39 o  1110.62   41.088   35.595   2.1501   29.328   3.6593   38.900   2.6571  1015.03   70.121  1206.20   42.847 -191.1662 82.17516 
1 1 1    5   32   41 o  237.943   36.771   1.6057   0.4367   1.5997   0.5999   1.6123   0.6368  237.977   50.591  237.910   53.376 0.6724548E-01 73.54224 
1 1 1    5   32   43 o  300.746   52.013   2.7648   0.7936   2.6227   1.0615   2.9449   1.1949  293.369   71.116  308.122   75.920 -14.75269 104.0259 
1 1 1    5   32   45 o  174.591   37.354   0.8759   0.3644   0.8255   0.5198   0.9247   0.5110  170.212   53.378  178.970   52.270 -8.757355 74.70875 
1 1 1    5   32   47 o  156.904   35.872   0.6983   0.3300   0.7068   0.4649   0.6897   0.4685  157.648   50.603  156.161   50.859 1.486984 71.74461 
1 1 1    5   33    0 o  303.244   70.367   3.0291   0.9684   3.2601   1.4583   2.8468   1.2953  313.954  102.105  292.534   96.853 0.000000 0.000000 
1 1 1    5   33    2 f  484.915   37.207   6.1066   0.9256   5.5956   1.2982   6.6348   1.3200  464.112   54.407  505.717   50.767 -41.60547 74.41421 
1 1 1    5   33    4 o  388.935   31.405   3.9127   0.6264   4.3089   0.9018   3.5433   0.8707  408.032   42.989  369.839   45.793 38.19238 62.80975 
1 1 1    5   33    6 o  1294.08   32.337   43.704   2.1198   45.401   2.8017   41.433   3.2418  1324.65   41.139  1263.52   49.904 61.12878 64.67480 
1 1 1    5   33    8 o  313.599   34.421   2.5297   0.5519   2.3442   0.7346   2.7701   0.8362  300.590   47.531  326.608   49.799 -26.01794 68.84117 
1 1 1    5   33   10 o  524.212   35.617   7.1942   0.9526   6.3473   1.3707   7.9853   1.3249  493.725   54.000  554.699   46.456 -60.97424 71.23342 
1 1 1    5   33   12 o  418.293   34.659   4.5730   0.7395   3.9186   1.0455   5.2281   1.0461  387.848   52.431  448.738   45.342 -60.89017 69.31718 
1 1 1    5   33   14 o  1422.01   32.512   52.593   2.3752   51.858   3.4103   53.287   3.3100  1412.00   46.978  1432.02   44.958 -20.02686 65.02358 
1 1 1    5   33   16 o  322.127   52.998   2.7031   0.8410   2.1934   1.0514   3.6083   1.4012  282.453   72.146  361.801   77.653 -79.34787 105.9957 
1 1 1    5   33   18 o  783.007   36.629   15.575   1.4390   18.154   2.3657   14.061   1.8130  832.008   55.305  734.007   48.043 98.00092 73.25881 
1 1 1    5   33   20 o  328.181   35.607   2.8845   0.5780   2.3575   0.8188   3.4080   0.8161  294.823   56.070  361.539   43.904 -66.71524 71.21378 
1 1 1    5   33   22 o  487.407   32.750   6.2594   0.8126   7.2111   1.1449   5.2933   1.1536  525.706   42.359  449.108   49.960 76.59879 65.50042 
1 1 1    5   33   24 f  463.998   40.100   5.4250   0.8982   6.5277   1.6269   4.9416   1.0772  494.353   64.012  433.643   48.317 60.70938 80.20068 
1 1 1    5   33   26 o  657.045   46.662   11.921   1.5302   9.7165   2.3006   13.670   2.0491  596.809   74.977  717.280   55.567 -120.4713 93.32347 
1 1 1    5   33   28 o  532.970   32.518   7.4943   0.8909   7.6335   1.2623   7.3562   1.2577  538.003   45.636  527.937   46.336 10.06610 65.03587 
1 1 1    5   33   30 f  279.543   45.909   2.1249   0.6096   1.9913   0.7321   2.4268   1.1009  268.212   54.941  290.874   73.566 -22.66174 91.81755 
1 1 1    5   33   32 o  591.572   37.015   8.6475   1.0803   12.842   1.8495   6.4754   1.3309  692.031   51.983  491.113   52.710 200.9175 74.03055 
1 1 1    5   33   34 o  549.914   32.766   8.0960   0.9159   9.6034   1.3113   6.6597   1.2799  601.726   42.386  498.102   49.980 103.6245 65.53297 
1 1 1    5   33   36 o  350.958   34.964   3.3043   0.6284   2.9200   0.8633   3.7373   0.9163  328.806   51.068  373.111   47.770 -44.30460 69.92791 
1 1 1    5   33   38 o  325.606   46.990   3.2853   0.7381   2.2120   1.2184   3.9075   0.9277  270.552   81.149  380.660   47.403 -110.1080 93.97951 
1 1 1    5   33   40 o  226.705   37.908   1.4728   0.4364   1.2860   0.6248   1.6508   0.6097  211.581   56.405  241.830   50.662 -30.24937 75.81680 
1 1 1    5   33   42 o  221.361   46.749   1.4280   0.6551   2.2872   0.8829   0.3756   0.9772  278.016   63.204  164.705   68.898 113.3112 93.49709 
1 1 1    5   33   44 o  235.279   38.624   1.6452   0.4603   1.8940   0.6239   1.3479   0.6819  257.815   48.854  212.744   59.839 45.07036 77.24893 
1 1 1    5   33   46 o  197.064   38.925   1.1639   0.4128   0.9984   0.6042   1.3089   0.5653  183.621   57.546  210.506   52.431 -26.88535 77.84950 
1 1 1    5   34    1 o  1110.51   42.418   31.194   2.3268   28.835   2.8685   35.731   3.9788  1052.87   52.993  1168.16   66.249 -115.2899 84.83569 
1 1 1    5   34    3 o  1451.03   39.903   54.636   2.6646   54.348   3.1324   55.390   5.0684  1448.51   42.062  1453.55   67.822 -5.040039 79.80624 
1 1 1    5   34    5 o  962.158   38.782   23.726   1.7563   23.160   2.0870   25.098   3.2512  945.295   42.943  979.021   64.593 -33.72510 77.56467 
1 1 1    5   34    7 o  580.822   37.726   8.4937   1.0579   7.9751   1.2743   9.6438   1.8976  554.394   44.707  607.251   60.780 -52.85687 75.45206 
1 1 1    5   34    9 o  640.707   30.395   10.797   0.9798   8.2592   1.3851   13.339   1.3861  563.610   47.800  717.804   37.559 -154.1934 60.79075 
1 1 1    5   34   11 o  430.978   35.289   4.8766   0.7741   4.1362   1.1031   5.5949   1.0865  398.019   53.909  463.937   45.552 -65.91888 70.57753 
1 1 1    5   34   13 o  935.458   45.230   23.034   1.9590   23.035   2.3164   23.031   3.6711  940.301   47.915  930.615   76.729 9.686157 90.46083 
1 1 1    5   34   15 f  1117.72   47.855   32.543   2.7061   30.348   3.4824   35.888   4.2995  1072.96   63.128  1162.47   71.939 -89.51477 95.70991 
1 1 1    5   34   17 o  391.588   33.805   4.0363   0.6747   3.5152   0.9693   4.5260   0.9398  366.387   51.456  416.788   43.856 -50.40079 67.60952 
1 1 1    5   34   19 o  971.826   32.381   24.757   1.6031   28.949   2.2915   20.739   2.2436  1053.82   42.294  889.830   49.043 163.9910 64.76111 
1 1 1    5   34   21 o  867.589   31.778   19.704   1.4167   20.183   1.9888   19.210   2.0185  878.617   44.026  856.560   45.836 22.05658 63.55524 
1 1 1    5   34   23 o  1254.18   39.263   40.266   2.3677   45.707   4.2750   37.859   2.8437  1307.40   63.601  1200.96   46.056 106.4376 78.52503 
1 1 1    5   34   25 o  1139.99   36.478   34.285   2.0572   33.951   2.5768   34.872   3.4163  1136.83   44.087  1143.14   58.128 -6.309692 72.95531 
1 1 1    5   34   27 f  398.198   33.067   4.1814   0.6762   4.4413   0.9810   3.9460   0.9335  410.020   46.534  386.376   46.993 23.64380 66.13499 
1 1 1    5   34   29 f  566.424   43.547   8.9554   1.1343   9.3341   1.3542   8.0654   2.0761  594.192   44.330  538.656   74.968 55.53613 87.09386 
1 1 1    5   34   31 o  512.317   37.503   6.7531   0.9603   8.3903   1.6048   5.8397   1.1987  557.331   56.006  467.303   49.892 90.02795 75.00593 
1 1 1    5   34   33 o  671.303   31.631   11.988   1.0894   10.970   1.5179   13.069   1.5645  641.253   46.040  701.354   43.387 -60.10077 63.26211 
1 1 1    5   34   35 o  530.122   32.750   7.5246   0.8925   7.3675   1.2497   7.6880   1.2749  524.462   46.348  535.782   46.282 -11.31946 65.49939 
1 1 1    5   34   37 o  1137.93   41.940   37.423   2.2437   31.118   3.8431   40.683   2.7635  1043.22   71.654  1232.64   43.607 -189.4252 83.87988 
1 1 1    5   34   39 o  691.701   39.879   13.580   1.3248   14.280   1.6411   12.270   2.2450  728.004   43.845  655.399   66.625 72.60474 79.75818 
1 1 1    5   34   41 o  474.868   47.660   6.7649   0.9938   7.0271   1.1820   6.1325   1.8356  507.994   45.259  441.743   83.891 66.25055 95.32041 
1 1 1    5   34   43 o  111.173   31.446   0.1937   0.2731   0.1325   0.3805   0.2588   0.3921  105.852   43.515  116.495   45.407 -10.64316 62.89186 
1 1 1    5   34   45 o  235.828   39.478   1.6898   0.4797   2.1062   0.6621   1.2297   0.6959  270.277   49.471  201.379   61.537 68.89771 78.95676 
1 1 1    5   35    0 o  3336.93   71.105  290.245   12.186   0.0000   0.0000  290.245   12.186  3336.93   71.105  3336.93   71.105 0.000000 0.000000 
1 1 1    5   35    2 o  1082.78   50.641   30.905   2.8167   31.210   4.0771   30.626   3.8958  1087.38   72.929  1078.17   70.281 9.209473 101.2820 
1 1 1    5   35    4 o  575.979   34.619   8.6371   0.9990   8.6173   1.6018   8.6497   1.2781  574.642   54.219  577.315   43.060 -2.673096 69.23759 
1 1 1    5   35    6 o  1058.26   36.420   29.217   1.9724   28.982   2.9261   29.413   2.6703  1053.61   54.018  1062.91   48.864 -9.306030 72.83981 
1 1 1    5   35    8 o  431.964   33.262   4.8000   0.7344   4.2909   0.9784   5.4569   1.1114  406.056   46.866  457.872   47.213 -51.81580 66.52430 
1 1 1    5   35   10 o  2058.38   36.318  109.677   3.5913  107.976   4.3485  113.327   6.3692  2039.04   41.481  2077.72   59.626 -38.68201 72.63525 
1 1 1    5   35   12 o  530.747   50.138   7.3576   1.3681   7.3576   1.3681   0.0000   0.0000  530.747   50.138  ?   ?       ?      ? 
1 1 1    5   35   14 o  1336.92   42.936   47.369   2.9330   44.005   4.2882   50.327   4.0205  1289.84   64.664  1383.99   56.503 -94.15088 85.87264 
1 1 1    5   35   16 o  174.996   37.209   0.7832   0.3739   1.1086   0.5443   0.4924   0.5145  201.843   52.094  148.149   53.144 53.69431 74.41843 
1 1 1    5   35   18 o  297.540   37.174   2.3725   0.5543   2.2286   0.8019   2.5042   0.7672  285.961   56.545  309.119   48.273 -23.15796 74.34756 
1 1 1    5   35   20 o  1078.93   32.663   30.612   1.7933   25.325   2.5040   36.179   2.5695  981.367   49.628  1176.50   42.480 -195.1327 65.32616 
1 1 1    5   35   22 o  1051.30   45.451   29.417   2.4253   30.999   3.7787   28.309   3.1627  1072.17   68.551  1030.43   59.700 41.74402 90.90244 
1 1 1    5   35   24 o  178.913   39.391   0.8627   0.3955   0.9447   0.4896   0.7089   0.6709  185.820   50.106  172.006   60.794 13.81345 78.78160 
1 1 1    5   35   26 o  662.925   32.336   11.645   1.0982   12.521   1.5359   10.729   1.5708  689.418   43.333  636.433   48.008 52.98529 64.67229 
1 1 1    5   35   28 o  448.284   51.104   6.3159   0.9632   7.1864   1.1452   4.2123   1.7804  521.730   42.695  374.838   92.863 146.8915 102.2080 
1 1 1    5   35   30 o  317.143   39.443   2.6497   0.6189   3.3653   0.9997   2.2049   0.7882  353.118   55.068  281.168   56.484 71.94980 78.88551 
1 1 1    5   35   32 o  435.732   32.604   5.0404   0.7282   4.5732   0.9917   5.5871   1.0728  413.758   46.620  457.707   45.591 -43.94946 65.20713 
1 1 1    5   35   34 o  165.449   36.424   0.7393   0.3454   0.6217   0.4881   0.8573   0.4889  154.906   51.972  175.992   51.047 -21.08624 72.84866 
1 1 1    5   35   36 o  468.961   48.833   6.6595   1.0157   5.3179   1.7845   7.3025   1.2353  416.999   86.088  520.924   46.125 -103.9254 97.66592 
1 1 1    5   35   38 o  513.475   39.861   7.3200   1.0059   7.3303   1.2565   7.3017   1.6787  519.752   47.022  507.198   64.377 12.55490 79.72112 
1 1 1    5   35   40 o  227.865   36.242   1.5701   0.4427   2.2318   0.5907   0.7221   0.6686  288.096   39.878  167.634   60.528 120.4621 72.48371 
1 1 1    5   35   42 o  323.045   36.605   2.9253   0.6072   2.9596   0.8415   2.8880   0.8769  325.795   50.240  320.296   53.249 5.499512 73.20913 
1 1 1    5   35   44 o  145.321   34.552   0.5694   0.3154   0.3544   0.4643   0.7537   0.4299  128.601   49.607  162.041   48.108 -33.44040 69.10330 
1 1 1    5   36    1 o  1225.87   36.468   39.231   2.2981   38.498   3.2480   39.965   3.2520  1214.25   52.029  1237.50   51.114 -23.25098 72.93601 
1 1 1    5   36    3 o  646.149   37.019   10.938   1.2253   9.9657   1.7434   11.887   1.7225  617.167   54.946  675.131   49.624 -57.96368 74.03772 
1 1 1    5   36    5 o  826.481   33.775   17.629   1.4008   18.585   2.2649   17.037   1.7827  843.339   52.237  809.622   42.827 33.71735 67.54922 
1 1 1    5   36    7 o  817.012   35.232   17.886   1.4049   15.832   2.3129   19.087   1.7686  776.646   57.925  857.378   40.123 -80.73212 70.46404 
1 1 1    5   36    9 o  297.418   44.668   2.4096   0.6775   1.7020   0.9577   3.1183   0.9585  249.855   71.136  344.981   54.043 -95.12631 89.33633 
1 1 1    5   36   11 o  823.944   55.394   18.253   2.3356   20.155   3.2982   16.339   3.3080  869.044   73.818  778.844   82.611 90.19934 110.7870 
1 1 1    5   36   13 o  892.540   59.669   21.027   2.7381   0.0000   0.0000   21.027   2.7381  ?   ?   892.540   59.669      ?      ? 
1 1 1    5   36   15 o  1008.13   37.519   26.540   1.9098   25.763   2.4627   27.711   3.0249  991.704   48.302  1024.56   57.426 -32.85284 75.03843 
1 1 1    5   36   17 o  641.170   38.476   10.925   1.2353   11.215   1.5908   10.485   1.9606  653.977   47.315  628.364   60.688 25.61389 76.95249 
1 1 1    5   36   19 o  811.900   38.237   17.846   1.5350   19.244   1.9723   15.698   2.4447  856.782   44.775  767.018   61.995 89.76392 76.47340 
1 1 1    5   36   21 o  988.966   46.375   26.000   2.3135   28.033   3.6960   24.691   2.9664  1016.73   70.706  961.204   60.028 55.52350 92.75041 
1 1 1    5   36   23 o  701.679   32.620   12.986   1.1767   12.955   1.6523   13.018   1.6761  700.935   45.850  702.422   46.413 -1.487183 65.24099 
1 1 1    5   36   25 o  464.700   33.989   5.7434   0.8088   5.9693   1.1107   5.4883   1.1802  475.209   45.460  454.190   50.541 21.01920 67.97734 
1 1 1    5   36   27 o  317.769   50.348   3.3278   0.7732   3.9782   0.9088   1.6235   1.4711  387.296   45.641  248.241   89.759 139.0546 100.6970 
1 1 1    5   36   29 o  227.275   42.134   1.5452   0.5199   0.8473   0.8458   1.9689   0.6591  187.123   68.000  267.427   49.772 -80.30380 84.26866 
1 1 1    5   36   31 o  675.409   32.278   12.168   1.1205   11.980   1.5623   12.368   1.6080  670.191   45.342  680.628   45.953 -10.43732 64.55652 
1 1 1    5   36   33 o  1115.36   31.798   33.223   1.8212   31.063   2.5299   35.547   2.6239  1077.08   45.686  1153.63   44.240 -76.55396 63.59544 
1 1 1    5   36   35 o  833.436   41.798   19.389   1.6640   18.766   2.9089   19.692   2.0288  811.657   69.708  855.214   46.141 -43.55762 83.59502 
1 1 1    5   36   37 o  976.487   36.794   24.323   1.7777   19.288   2.1852   34.178   3.0570  839.407   50.635  1113.57   53.397 -274.1605 73.58775 
1 1 1    5   36   39 o  309.191   37.619   2.6844   0.5833   2.3948   0.8062   3.0024   0.8449  288.309   56.408  330.074   49.788 -41.76532 75.23769 
1 1 1    5   36   41 o  164.298   38.275   0.7070   0.4308   0.0000   0.6754   1.1921   0.5594  126.320   55.126  202.276   53.113 -75.95631 76.54924 
1 1 1    5   36   43 o  191.853   37.750   1.0771   0.3923   1.3505   0.5672   0.8264   0.5432  214.286   52.007  169.420   54.731 44.86574 75.49981 
1 1 1    5   37    0 o  932.395   53.337   23.237   2.5118   21.747   3.5763   24.687   3.5286  900.850   78.593  963.940   72.128 0.000000 0.000000 
1 1 1    5   37    2 o  1210.07   36.506   38.367   2.2652   35.155   3.1986   41.599   3.2084  1158.31   53.711  1261.82   49.456 -103.5142 73.01226 
1 1 1    5   37    4 o  989.985   33.401   25.700   1.6712   26.298   2.1879   24.862   2.5895  1005.34   42.329  974.632   51.679 30.70551 66.80150 
1 1 1    5   37    6 o  542.959   36.161   7.7362   0.9779   7.7965   1.2417   7.6378   1.5871  546.995   44.152  538.922   57.282 8.072083 72.32262 
1 1 1    5   37    8 o  542.329   39.438   7.6867   1.0963   7.0111   1.4879   8.4893   1.6216  516.350   56.047  568.308   55.499 -51.95789 78.87630 
1 1 1    5   37   10 f  359.558   39.888   2.9712   0.6687   4.8997   1.2823   2.2508   0.7837  431.051   57.861  288.065   54.921 142.9855 79.77600 
1 1 1    5   37   12 o  1773.06   44.324   81.926   3.6459   86.972   6.9044   79.975   4.2934  1798.61   74.665  1747.50   47.787 51.10718 88.64812 
1 1 1    5   37   14 o  1128.02   49.917   36.939   2.4605   28.349   4.6383   40.303   2.9025  1015.23   88.863  1240.80   45.499 -225.5660 99.83397 
1 1 1    5   37   16 o  681.672   45.787   12.487   1.4179   12.285   2.7192   12.562   1.6617  671.532   78.759  691.813   46.720 -20.28052 91.57343 
1 1 1    5   37   18 o  352.721   50.511   3.3296   0.7728   3.6299   1.6067   3.2392   0.8815  354.859   88.395  350.584   48.904 4.274841 101.0211 
1 1 1    5   37   20 o  967.958   48.715   25.750   2.3325   24.004   3.7712   26.831   2.9684  933.409   78.586  1002.51   57.593 -69.09717 97.43015 
1 1 1    5   37   22 o  370.741   44.636   4.0658   0.7742   5.0633   1.0091   2.6379   1.2073  438.196   44.790  303.286   77.221 134.9106 89.27110 
1 1 1    5   37   24 o  585.133   39.208   9.3903   1.1278   10.010   1.4340   8.3850   1.8261  615.087   45.345  555.180   63.975 59.90686 78.41520 
1 1 1    5   37   26 o  982.581   45.275   25.617   2.2872   25.617   2.2872   0.0000   0.0000  982.581   45.275  ?   ?       ?      ? 
1 1 1    5   37   28 o  418.710   47.503   4.9104   0.9770   6.2706   1.4245   3.7024   1.3425  480.385   57.677  357.035   75.494 123.3497 95.00505 
1 1 1    5   37   30 o  699.685   39.917   13.838   1.3481   15.217   1.7023   11.517   2.2077  756.068   43.792  643.302   66.752 112.7662 79.83434 
1 1 1    5   37   32 o  573.668   33.362   8.8528   0.9678   6.9327   1.3376   10.963   1.4021  505.940   51.422  641.397   42.518 -135.4578 66.72331 
1 1 1    5   37   34 o  268.608   46.579   2.0866   0.6068   2.1344   1.0816   2.0647   0.7331  266.886   75.461  270.330   54.626 -3.443848 93.15719 
1 1 1    5   37   36 o  208.071   41.931   1.2943   0.4773   1.5125   0.5967   0.9064   0.7955  230.804   51.581  185.339   66.123 45.46469 83.86257 
1 1 1    5   37   38 o  398.557   34.688   4.3589   0.7098   4.1330   0.9730   4.6159   1.0376  387.679   48.817  409.436   49.294 -21.75705 69.37569 
1 1 1    5   37   40 o  435.270   58.504   6.6552   1.2738   9.7377   1.7267   2.9741   1.8869  583.792   57.528  286.748  101.889 297.0444 117.0075 
1 1 1    5   37   42 f  247.016   40.173   1.8207   0.4957   1.8176   0.6546   1.8250   0.7589  248.962   52.781  245.071   60.577 3.890839 80.34595 
1 1 1    5   37   44 o  406.531   36.790   4.7949   0.7578   3.9159   1.0617   5.7078   1.0820  364.133   56.713  448.930   46.880 -84.79688 73.58047 
1 1 1    5   38    1 o  187.508   47.874   0.7591   0.6088   1.1150   0.8501   0.3844   0.8722  208.262   68.544  166.755   66.854 41.50694 95.74844 
1 1 1    5   38    3 o  942.298   54.425   24.051   2.6098   27.262   3.6428   20.666   3.7408  1010.94   70.087  873.658   83.283 137.2791 108.8498 
1 1 1    5   38    5 o  900.484   46.307   21.786   2.0507   20.664   3.3846   22.437   2.5778  877.355   75.035  923.612   54.286 -46.25781 92.61337 
1 1 1    5   38    7 o  1721.71   41.968   80.639   3.2218   73.638   6.2407   83.183   3.7619  1656.71   73.268  1786.71   40.952 -130.0015 83.93651 
1 1 1    5   38    9 o  362.729   35.695   3.4543   0.6559   3.4639   1.0183   3.4474   0.8574  362.499   54.636  362.959   45.950 -0.4603271 71.38982 
1 1 1    5   38   11 o  706.786   34.116   13.471   1.1920   11.574   1.8861   14.732   1.5380  661.901   55.423  751.672   39.799 -89.77191 68.23278 
1 1 1    5   38   13 o  116.557   33.504   0.1243   0.3203  -0.0375   0.4513   0.2884   0.4547  105.649   45.587  127.465   49.112 -21.81622 67.00884 
1 1 1    5   38   15 o  736.586   34.487   14.270   1.3026   15.741   1.8796   12.911   1.8070  773.602   47.257  699.570   50.240 74.03192 68.97344 
1 1 1    5   38   17 o  917.294   47.807   22.336   2.1947   24.546   3.5990   21.028   2.7692  948.440   73.807  886.149   60.783 62.29108 95.61399 
1 1 1    5   38   19 o  543.516   50.745   8.1304   1.3545   7.8656   2.2482   8.2813   1.6970  531.412   82.286  555.620   59.407 -24.20831 101.4900 
1 1 1    5   38   21 o  256.034   49.266   1.9216   0.6374   1.4989   1.2081   2.0847   0.7504  237.284   81.729  274.784   55.035 -37.49951 98.53185 
1 1 1    5   38   23 o  145.010   41.022   0.3179   0.4078   0.3746   0.8397   0.3004   0.4665  161.430   65.285  128.591   49.689 32.83806 82.04359 
1 1 1    5   38   25 o  334.710   60.528   3.3740   1.0627   4.0466   1.4634   2.6236   1.5456  372.816   78.814  296.604   91.886 76.21225 121.0562 
1 1 1    5   38   27 o  318.368   69.192   2.9139   1.1002   0.0000   0.0000   2.9139   1.1002  ?   ?   318.368   69.192      ?      ? 
1 1 1    5   38   29 o  713.151   39.549   14.181   1.3742   15.098   1.7309   12.618   2.2602  752.265   44.753  674.038   65.221 78.22760 79.09895 
1 1 1    5   38   31 o  748.222   38.599   15.334   1.4179   15.495   1.7717   15.048   2.3649  760.436   45.317  736.008   62.498 24.42743 77.19854 
1 1 1    5   38   33 o  441.365   53.485   5.9685   1.1303   4.0367   1.6660   7.6163   1.5387  357.662   90.521  525.069   56.998 -167.4068 106.9709 
1 1 1    5   38   35 o  313.372   43.933   2.9345   0.6606   3.2303   0.8287   2.4189   1.0941  344.829   46.742  281.914   74.402 62.91440 87.86604 
1 1 1    5   38   37 o  417.767   42.472   4.9551   0.8725   4.9348   1.0903   4.9913   1.4549  422.672   50.175  412.862   68.541 9.809875 84.94359 
1 1 1    5   38   39 o  169.233   65.739   0.6721   0.8198   0.6721   0.8198   0.0000   0.0000  169.233   65.739  ?   ?       ?      ? 
1 1 1    5   38   41 o  182.763   39.960   0.9930   0.4228   1.1909   0.5672   0.7455   0.6343  200.433   53.879  165.094   59.029 35.33905 79.92053 
1 1 1    5   38   43 o  569.955   36.009   9.3439   1.0163   6.5383   1.3915   12.551   1.4878  469.485   57.649  670.424   43.165 -200.9390 72.01789 
1 1 1    5   39    0 o  796.317   79.565   17.209   3.1828   0.0000   0.0000   17.209   3.1828  796.317   79.565  796.317   79.565 -0.000000 0.000000 
1 1 1    5   39    2 o  1117.45   53.827   33.594   3.0853   30.677   4.2363   36.889   4.5025  1065.10   77.361  1169.80   74.864 -104.7007 107.6538 
1 1 1    5   39    4 o  237.459   47.839   1.6648   0.6296   0.7404   1.1637   2.0474   0.7486  200.936   78.250  273.982   55.056 -73.04605 95.67765 
1 1 1    5   39    6 o  744.068   34.316   14.667   1.2730   13.968   2.0399   15.113   1.6291  727.356   54.549  760.781   41.649 -33.42511 68.63179 
1 1 1    5   39    8 o  585.947   30.729   8.9822   0.9254   9.0262   1.3277   8.9406   1.2905  587.220   43.977  584.674   42.930 2.545715 61.45703 
1 1 1    5   39   10 o  399.623   36.024   4.3932   0.6850   2.9388   0.9757   5.8068   0.9620  327.633   60.142  471.612   39.674 -143.9796 72.04874 
1 1 1    5   39   12 o  274.746   36.260   2.0534   0.4933   2.0016   0.6958   2.1057   0.6995  271.040   51.823  278.452   50.730 -7.411743 72.52036 
1 1 1    5   39   14 o  1131.29   44.931   33.243   2.3460   37.088   4.5251   31.830   2.7435  1164.32   75.594  1098.27   48.589 66.05286 89.86266 
1 1 1    5   39   16 o  373.002   52.469   3.8305   0.9425   4.3169   1.5667   3.5546   1.1799  388.595   81.044  357.409   66.663 31.18542 104.9382 
1 1 1    5   39   18 o  342.346   38.865   3.1944   0.6479   4.2607   0.9433   2.2423   0.8914  401.656   45.681  283.036   62.890 118.6205 77.72955 
1 1 1    5   39   20 o  785.945   33.794   16.374   1.3633   17.710   1.9638   15.132   1.8942  817.390   46.731  754.499   48.831 62.89020 67.58854 
1 1 1    5   39   22 o  185.325   46.995   0.8135   0.5363   0.7707   0.6434   0.9109   0.9708  174.055   59.661  196.595   72.628 -22.54024 93.99028 
1 1 1    5   39   24 o  385.337   45.310   3.4391   0.7951   2.6373   0.9128   5.9623   1.6192  306.651   60.044  464.024   67.874 -157.3739 90.62060 
1 1 1    5   39   26 o  933.999   47.223   23.325   2.2676   0.0000   0.0000   23.325   2.2676  ?   ?   933.999   47.223      ?      ? 
1 1 1    5   39   28 o  566.124   48.010   9.5033   1.2143   7.6815   2.2280   10.273   1.4483  512.340   84.585  619.907   45.442 -107.5674 96.01929 
1 1 1    5   39   30 o  259.527   48.098   1.9576   0.6097   1.9226   1.1432   1.9716   0.7208  254.606   79.050  264.448   54.815 -9.841644 96.19557 
1 1 1    5   39   32 o  651.464   50.035   13.075   1.4479   9.8995   2.6007   14.501   1.7430  570.058   88.736  732.870   46.258 -162.8121 100.0693 
1 1 1    5   39   34 o  219.551   47.392   1.3571   0.5985   1.9224   0.8994   0.9077   0.8019  253.830   67.678  185.272   66.359 68.55812 94.78354 
1 1 1    5   39   36 o  299.398   46.206   3.1553   0.7674   0.7793   1.2901   4.4565   0.9547  195.075   80.152  403.722   45.996 -208.6470 92.41212 
1 1 1    5   39   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   39   40 o  314.465   47.880   3.2698   0.7387   3.7911   0.9208   2.3283   1.2375  367.066   48.790  261.864   82.398 105.2025 95.75975 
1 1 1    5   40    1 o  494.827   38.907   6.4888   0.9883   6.1068   1.4013   6.8669   1.3940  479.848   56.803  509.806   53.184 -29.95786 77.81461 
1 1 1    5   40    3 o  599.963   38.294   9.5373   1.1789   8.9196   1.6744   10.144   1.6600  580.034   56.149  619.893   52.087 -39.85895 76.58842 
1 1 1    5   40    5 o  328.046   36.312   2.8222   0.6063   2.7167   0.7969   2.9672   0.9343  321.317   48.242  334.774   54.285 -13.45691 72.62342 
1 1 1    5   40    7 o  915.366   30.443   21.940   1.4317   23.119   2.0536   20.825   1.9971  939.495   42.515  891.237   43.584 48.25732 60.88610 
1 1 1    5   40    9 o  1309.98   30.065   44.996   2.0238   44.583   2.9014   45.388   2.8244  1303.65   43.288  1316.31   41.734 -12.65991 60.13001 
1 1 1    5   40   11 o  613.621   37.056   10.222   1.1012   9.2103   1.8482   10.779   1.3711  586.034   61.340  641.207   41.592 -55.17358 74.11166 
1 1 1    5   40   13 o  748.263   42.504   14.889   1.6213   12.439   2.1922   17.848   2.4089  679.507   62.749  817.020   57.348 -137.5125 85.00724 
1 1 1    5   40   15 o  515.723   40.261   6.8040   1.0431   5.4519   1.3233   9.0228   1.6952  451.065   57.062  580.381   56.812 -129.3156 80.52154 
1 1 1    5   40   17 o  831.166   34.427   18.379   1.4683   17.507   2.1051   19.206   2.0491  810.913   50.492  851.419   46.811 -40.50568 68.85317 
1 1 1    5   40   19 o  538.204   35.268   7.7738   0.9663   6.5903   1.3710   8.9418   1.3620  495.648   53.801  580.760   45.617 -85.11121 70.53664 
1 1 1    5   40   21 o  351.672   36.780   3.3226   0.6640   3.4394   0.9263   3.1991   0.9524  358.530   50.251  344.814   53.721 13.71646 73.56033 
1 1 1    5   40   23 o  274.047   52.802   2.0858   0.6900   1.9943   0.7944   2.3668   1.3924  265.753   59.610  282.341   87.171 -16.58871 105.6035 
1 1 1    5   40   25 o  460.091   41.052   5.6909   0.9455   6.1796   1.5451   5.3983   1.1955  472.967   63.540  447.215   51.997 25.75204 82.10381 
1 1 1    5   40   27 o  343.945   36.879   3.1995   0.6511   2.9560   0.9019   3.4645   0.9408  329.958   53.167  357.933   51.122 -27.97449 73.75759 
1 1 1    5   40   29 o  533.242   34.360   7.6853   0.9418   7.7344   1.3203   7.6344   1.3437  535.308   47.972  531.176   49.204 4.132324 68.71937 
1 1 1    5   40   31 o  206.937   40.894   0.8202   0.5163   2.4177   0.8864   0.0000   0.6351  289.260   61.494  124.614   53.923 164.6460 81.78813 
1 1 1    5   40   33 o  278.391   38.752   2.2129   0.5349   2.1968   0.7503   2.2294   0.7626  277.465   54.543  279.318   55.062 -1.853149 77.50371 
1 1 1    5   40   35 o  220.706   44.633   1.5607   0.5499   0.8053   1.0198   1.8702   0.6529  185.578   72.967  255.834   51.422 -70.25603 89.26610 
1 1 1    5   40   37 o  216.863   77.671   1.4264   1.0986   0.0000   0.0000   1.4264   1.0986  ?   ?   216.863   77.671      ?      ? 
1 1 1    5   40   39 o  427.874   46.523   5.4681   0.9358   5.8039   1.6267   5.3020   1.1440  424.082   77.461  431.667   51.548 -7.585083 93.04514 
1 1 1    5   41    0 o  256.605   62.020   2.2815   0.9116   0.8292   1.2739   3.8058   1.3050  158.304   92.886  354.906   82.208 0.000000 0.000000 
1 1 1    5   41    2 o  830.722   37.686   18.304   1.6079   19.396   2.2889   17.241   2.2591  855.778   52.022  805.666   54.540 50.11194 75.37196 
1 1 1    5   41    4 o  496.915   52.253   7.1501   1.1663   5.9452   2.0532   7.7241   1.4172  453.597   91.202  540.232   51.025 -86.63583 104.5055 
1 1 1    5   41    6 o  184.851   37.971   0.9744   0.4065   0.3925   0.6892   1.2849   0.5034  152.792   60.013  216.910   46.535 -64.11743 75.94138 
1 1 1    5   41    8 o  846.568   39.470   19.490   1.6800   16.433   2.5106   21.969   2.2606  781.360   62.498  911.776   48.225 -130.4157 78.94018 
1 1 1    5   41   10 o  790.122   43.429   16.543   1.7495   14.691   2.3023   19.073   2.6915  739.120   60.586  841.123   62.239 -102.0026 86.85876 
1 1 1    5   41   12 o  902.559   37.514   21.200   1.6414   20.203   1.9925   23.305   2.8956  875.253   44.278  929.864   60.570 -54.61133 75.02827 
1 1 1    5   41   14 o  696.865   33.222   13.058   1.1693   14.287   1.5674   11.517   1.7560  736.708   41.382  657.022   51.983 79.68622 66.44347 
1 1 1    5   41   16 f  288.261   39.792   2.3298   0.5753   1.2504   0.7982   3.4974   0.8301  212.972   66.039  363.549   44.411 -150.5770 79.58350 
1 1 1    5   41   18 o  501.599   36.112   6.7871   0.9208   5.7095   1.3105   7.8377   1.2940  460.209   55.387  542.989   46.354 -82.78003 72.22467 
1 1 1    5   41   20 o  333.908   37.723   3.0342   0.6309   3.4170   0.9125   2.6837   0.8732  357.211   49.684  310.606   56.776 46.60501 75.44539 
1 1 1    5   41   22 o  190.058   47.681   0.9167   0.5986   1.1833   0.7625   0.4885   0.9665  206.390   64.635  173.727   70.117 32.66275 95.36300 
1 1 1    5   41   24 o  719.967   34.717   13.977   1.2764   12.121   1.7967   15.868   1.8136  669.497   52.199  770.437   45.787 -100.9396 69.43443 
1 1 1    5   41   26 o  396.500   36.892   4.2882   0.7467   3.7673   1.0640   4.7935   1.0481  371.165   55.757  421.835   48.326 -50.66992 73.78454 
1 1 1    5   41   28 o  918.174   33.920   22.781   1.5950   20.278   2.2229   25.436   2.2900  864.246   50.029  972.102   45.819 -107.8563 67.83997 
1 1 1    5   41   30 o  816.699   50.360   19.443   2.0551   18.548   3.2461   20.041   2.6548  788.865   80.038  844.533   61.143 -55.66772 100.7202 
1 1 1    5   41   32 o  608.175   34.937   10.168   1.0905   10.702   1.5315   9.6189   1.5530  625.782   47.603  590.567   51.150 35.21490 69.87371 
1 1 1    5   41   34 o  464.754   35.955   5.9955   0.8558   5.3437   1.1893   6.6955   1.2325  437.134   52.918  492.374   48.690 -55.23996 71.90974 
1 1 1    5   41   36 o  166.964   43.643   0.7288   0.5179   1.0101   0.6098   0.0000   0.9814  185.874   57.735  148.053   65.463 37.82069 87.28548 
1 1 1    5   41   38 o  235.431   38.368   1.6513   0.4857   0.9270   0.6848   2.3843   0.6889  178.619   61.533  292.242   45.848 -113.6229 76.73548 
1 1 1    5   42    1 o  339.992   57.714   3.3417   1.0096   2.5429   1.4186   4.1614   1.4371  296.694   87.214  383.291   75.614 -86.59714 115.4288 
1 1 1    5   42    3 o  164.123   44.531   0.5115   0.5287   0.3744   0.7269   0.6654   0.7703  154.206   61.293  174.039   64.615 -19.83319 89.06133 
1 1 1    5   42    5 o  738.979   53.067   15.081   2.0017   14.825   2.9948   15.288   2.6911  730.032   79.790  747.926   69.985 -17.89349 106.1340 
1 1 1    5   42    7 o  373.624   49.601   4.1379   0.8976   5.3034   1.1953   2.6303   1.3593  446.256   52.097  300.991   84.421 145.2649 99.20186 
1 1 1    5   42    9 o  534.703   41.239   7.8279   1.0427   8.0679   1.2639   7.3164   1.8450  552.762   44.475  516.644   69.459 36.11768 82.47750 
1 1 1    5   42   11 o  561.386   31.719   8.3115   0.9076   9.8748   1.3229   6.9214   1.2475  612.081   42.037  510.691   47.511 101.3904 63.43868 
1 1 1    5   42   13 o  653.771   30.636   11.297   1.0294   11.323   1.4751   11.273   1.4372  654.280   43.853  653.262   42.792 1.017944 61.27150 
1 1 1    5   42   15 o  346.540   37.394   3.2183   0.6645   3.5525   0.9595   2.9104   0.9210  364.245   51.238  328.835   54.479 35.41003 74.78815 
1 1 1    5   42   17 o  646.686   35.256   11.183   1.1714   11.622   1.6943   10.780   1.6214  658.758   50.025  634.614   49.694 24.14465 70.51221 
1 1 1    5   42   19 o  560.436   35.187   8.4302   1.0088   9.5094   1.4451   7.4044   1.4090  596.655   47.111  524.216   52.278 72.43884 70.37300 
1 1 1    5   42   21 o  580.056   64.941   11.038   1.6844   13.936   2.1671   6.6142   2.6771  713.524   59.074  446.588  115.671 266.9359 129.8829 
1 1 1    5   42   23 o  484.846   35.953   6.3520   0.8945   6.8503   1.2759   5.8703   1.2545  504.293   49.213  465.400   52.428 38.89288 71.90677 
1 1 1    5   42   25 o  446.112   35.923   5.4079   0.8209   5.5539   1.1246   5.2414   1.2010  453.726   48.209  438.499   53.272 15.22623 71.84679 
1 1 1    5   42   27 o  232.458   42.579   1.5683   0.5185   1.8405   0.7225   1.2791   0.7446  253.841   56.780  211.076   63.465 42.76497 85.15763 
1 1 1    5   42   29 f  186.483   48.226   0.8859   0.5793   0.8838   1.0151   0.8869   0.7054  191.715   73.505  181.251   62.449 10.46448 96.45122 
1 1 1    5   42   31 o  167.457   38.571   0.7583   0.3827   0.9391   0.5683   0.6084   0.5175  181.735   55.624  153.178   53.451 28.55702 77.14272 
1 1 1    5   42   33 o  341.912   36.680   3.2677   0.6439   3.2187   0.9294   3.3129   0.8930  338.642   53.384  345.182   50.318 -6.539368 73.36027 
1 1 1    5   42   35 o  327.575   57.171   3.7224   0.9986   4.3925   1.2549   2.5649   1.6492  386.190   63.201  268.960   95.288 117.2294 114.3420 
1 1 1    5   42   37 o  130.885   34.750   0.3538   0.3160   0.6152   0.5049   0.1856   0.4051  150.563   52.781  111.207   45.214 39.35596 69.49916 
1 1 1    5   43    0 o  171.010   60.032   1.0665   0.7173   1.7365   1.0046   0.3696   1.0246  214.129   90.379  127.890   79.039 0.000000 0.000000 
1 1 1    5   43    2 o  624.762   38.879   10.472   1.2446   11.507   1.7703   9.4611   1.7502  656.458   52.454  593.066   57.400 63.39160 77.75759 
1 1 1    5   43    4 f  330.974   45.322   3.0675   0.7426   3.0276   1.0742   3.1040   1.0278  328.130   65.961  333.817   62.173 -5.686523 90.64382 
1 1 1    5   43    6 o  341.197   38.561   3.0627   0.6450   2.2527   0.8406   4.2219   1.0057  284.065   59.467  398.328   49.106 -114.2622 77.12179 
1 1 1    5   43    8 o  1230.39   30.779   39.955   1.9411   44.390   2.8031   35.868   2.6907  1297.05   42.035  1163.74   44.972 133.3082 61.55804 
1 1 1    5   43   10 o  608.760   31.486   9.8409   0.9828   9.4043   1.4209   10.241   1.3609  594.984   46.449  622.535   42.519 -27.55084 62.97163 
1 1 1    5   43   12 o  754.255   31.372   15.114   1.2133   13.895   1.7183   16.326   1.7133  722.881   46.235  785.630   42.417 -62.74872 62.74475 
1 1 1    5   43   14 o  200.811   37.389   1.1300   0.3929   1.2487   0.5381   0.9947   0.5749  211.930   50.167  189.692   55.453 22.23761 74.77820 
1 1 1    5   43   16 o  355.843   39.634   3.4992   0.7021   3.1466   1.0204   3.8161   0.9674  334.551   61.597  377.136   49.893 -42.58588 79.26866 
1 1 1    5   43   18 o  744.434   48.890   15.182   1.6597   14.813   1.9394   16.190   3.2080  741.685   50.861  747.184   83.511 -5.499084 97.77966 
1 1 1    5   43   20 o  356.613   54.779   3.4926   0.9624   2.4900   1.2068   5.2444   1.5953  289.072   78.965  424.155   75.944 -135.0825 109.5585 
1 1 1    5   43   22 o  1214.29   34.865   39.897   2.1702   37.071   3.0994   42.615   3.0397  1169.30   51.556  1259.28   46.950 -89.98608 69.73055 
1 1 1    5   43   24 o  803.929   34.956   17.528   1.4420   16.250   2.0320   18.824   2.0466  772.946   51.132  834.911   47.679 -61.96515 69.91266 
1 1 1    5   43   26 o  837.300   35.054   19.100   1.5084   18.520   2.1313   19.682   2.1352  823.859   50.317  850.741   48.818 -26.88184 70.10733 
1 1 1    5   43   28 o  375.642   96.787   4.6859   1.8808   4.6859   1.8808   0.0000   0.0000  375.642   96.787  ?   ?       ?      ? 
1 1 1    5   43   30 o  656.453   35.545   11.963   1.1892   13.624   1.6797   10.293   1.6840  705.852   46.287  607.053   53.955 98.79907 71.08919 
1 1 1    5   43   32 o  248.950   41.044   1.8306   0.5158   1.8963   0.7247   1.7632   0.7342  254.145   56.885  243.756   59.182 10.38835 82.08739 
1 1 1    5   43   34 o  537.638   53.684   8.6960   1.4500   7.4592   1.8280   10.795   2.3811  492.676   72.168  582.600   79.496 -89.92429 107.3673 
1 1 1    5   43   36 o  369.806   37.762   3.9417   0.7158   3.5753   0.9980   4.3299   1.0273  350.609   55.368  389.003   51.364 -38.39410 75.52351 
1 1 1    5   44    1 o  553.037   40.300   8.2848   1.1357   7.0161   1.5942   9.5923   1.6184  507.941   61.046  598.133   52.628 -90.19235 80.59943 
1 1 1    5   44    3 o  262.127   44.287   1.9395   0.5878   1.8786   0.8053   2.0089   0.8599  257.973   61.574  266.281   63.671 -8.308075 88.57414 
1 1 1    5   44    5 o  303.265   42.857   2.5407   0.6549   3.1609   0.9518   1.9831   0.9025  342.819   54.004  263.710   66.561 79.10883 85.71349 
1 1 1    5   44    7 f  328.594   37.311   2.9742   0.5947   3.9843   0.8593   2.0457   0.8238  387.904   43.086  269.283   60.928 118.6210 74.62271 
1 1 1    5   44    9 o  848.080   31.285   19.073   1.3629   20.239   1.9574   17.976   1.8987  873.609   43.581  822.552   44.897 51.05737 62.57030 
1 1 1    5   44   11 o  201.690   37.382   1.1057   0.4211   0.5364   0.5845   1.7198   0.6071  153.722   56.426  249.658   49.049 -95.93596 74.76460 
1 1 1    5   44   13 o  157.253   36.071   0.5884   0.3549   0.2397   0.4837   0.9950   0.5222  125.342   49.943  189.164   52.060 -63.82138 72.14217 
1 1 1    5   44   15 f  519.433   32.011   7.1983   0.8546   7.1644   1.2229   7.2306   1.1948  517.967   45.920  520.899   44.612 -2.932739 64.02282 
1 1 1    5   44   17 o  1080.82   53.903   33.186   2.9048   32.578   3.6836   34.185   4.7237  1081.07   66.274  1080.57   85.027 0.4904785 107.8053 
1 1 1    5   44   19 o  356.157   47.339   3.7736   0.8126   2.9122   1.2837   4.3496   1.0496  311.371   79.818  400.943   50.920 -89.57114 94.67767 
1 1 1    5   44   21 o  503.465   35.907   6.8843   0.9272   7.4475   1.3167   6.3303   1.3059  524.928   48.790  482.002   52.696 42.92606 71.81473 
1 1 1    5   44   23 o  223.228   42.376   1.4530   0.5157   0.9518   0.7518   1.8985   0.7086  187.879   64.485  258.577   54.997 -70.69815 84.75275 
1 1 1    5   44   25 o  851.998   46.627   19.835   1.8324   22.853   3.5376   18.729   2.1421  876.701   78.486  827.295   50.363 49.40546 93.25499 
1 1 1    5   44   27 o  574.709   40.884   9.0870   1.1760   8.4523   1.4825   10.164   1.9315  552.784   52.165  596.633   62.966 -43.84912 81.76750 
1 1 1    5   44   29 o  586.756   37.160   9.6130   1.1188   10.283   1.5847   8.9471   1.5797  608.821   50.626  564.690   54.411 44.13135 74.32092 
1 1 1    5   44   31 o  213.835   40.583   1.3375   0.4762   1.8827   0.6869   0.8331   0.6607  254.186   54.215  173.484   60.403 80.70247 81.16524 
1 1 1    5   44   33 o  515.570   55.873   7.8055   1.3883   5.8111   1.7055   11.722   2.3901  421.050   81.735  610.091   76.200 -189.0410 111.7452 
1 1 1    5   44   35 o  442.328   37.291   5.6473   0.8480   5.6146   1.1966   5.6803   1.2020  441.007   52.774  443.648   52.700 -2.641418 74.58169 
1 1 1    5   45    0 o  1231.13   55.389   41.521   3.4624   39.011   4.9675   43.891   4.8284  1190.98   82.021  1271.28   74.460 0.000000 0.000000 
1 1 1    5   45    2 o  412.152   41.266   4.6253   0.8720   4.2441   1.2316   5.0085   1.2348  394.146   60.780  430.158   55.833 -36.01193 82.53168 
1 1 1    5   45    4 o  1008.34   38.326   27.486   1.9835   25.900   2.8174   29.045   2.7931  977.781   56.045  1038.90   52.292 -61.11963 76.65181 
1 1 1    5   45    6 o  836.236   38.109   18.870   1.6377   19.349   2.3590   18.425   2.2755  846.216   54.221  826.255   53.566 19.96039 76.21843 
1 1 1    5   45    8 o  708.197   31.939   13.407   1.1580   12.236   1.6560   14.527   1.6199  676.455   47.616  739.938   42.582 -63.48248 63.87895 
1 1 1    5   45   10 o  589.435   32.202   9.2962   0.9720   8.4714   1.3853   10.096   1.3642  562.461   47.905  616.410   43.047 -53.94952 64.40475 
1 1 1    5   45   12 o  400.528   33.924   4.3646   0.6741   5.7281   0.9648   3.0641   0.9423  465.023   40.355  336.033   54.541 128.9905 67.84727 
1 1 1    5   45   14 o  360.961   43.640   3.7412   0.7418   3.9764   0.9254   3.3182   1.2407  385.244   46.721  336.677   73.722 48.56723 87.27964 
1 1 1    5   45   16 o  925.161   54.574   25.591   2.2151   26.809   2.5962   22.331   4.2469  995.625   50.719  854.698   96.648 140.9271 109.1478 
1 1 1    5   45   18 o  745.956   36.481   15.162   1.3908   13.349   1.9652   16.982   1.9687  698.624   54.713  793.287   48.269 -94.66309 72.96169 
1 1 1    5   45   20 o  897.991   35.497   21.907   1.6355   23.768   2.3435   20.140   2.2836  936.614   48.668  859.368   51.686 77.24677 70.99316 
1 1 1    5   45   22 o  216.842   40.717   1.3519   0.4777   0.9001   0.6758   1.8029   0.6753  181.783   61.151  251.901   53.779 -70.11858 81.43443 
1 1 1    5   45   24 o  162.312   43.440   0.5918   0.5196   0.0000   0.8973   0.8903   0.6373  145.159   63.438  179.466   59.362 -34.30695 86.88036 
1 1 1    5   45   26 o  195.579   40.501   1.1213   0.4421   1.3336   0.5878   0.8445   0.6710  214.994   53.415  176.165   60.896 38.82918 81.00275 
1 1 1    5   45   28 o  196.808   41.466   1.1354   0.4522   1.2191   0.6277   1.0451   0.6520  203.796   57.438  189.820   59.821 13.97586 82.93173 
1 1 1    5   45   30 o  257.808   41.454   1.9777   0.5372   1.8828   0.7548   2.0752   0.7647  250.942   59.422  264.674   57.818 -13.73157 82.90853 
1 1 1    5   45   32 o  234.233   48.258   1.4702   0.6469   0.6904   0.8057   2.8846   1.0851  167.433   65.135  301.033   71.224 -133.5999 96.51619 
1 1 1    5   45   34 o  262.214   40.280   2.0949   0.5665   3.2885   0.8193   1.0016   0.7841  341.051   46.726  183.377   65.625 157.6731 80.56012 
1 1 1    5   46    1 o  419.080   43.455   4.8852   0.8992   5.9452   1.2950   3.8982   1.2496  468.717   53.740  369.444   68.303 99.27264 86.90942 
1 1 1    5   46    3 o  527.006   39.881   7.5616   1.0787   8.0587   1.5280   7.0676   1.5231  545.246   54.509  508.766   58.229 36.47946 79.76160 
1 1 1    5   46    5 o  320.772   42.462   2.8698   0.6835   3.2373   0.9714   2.5095   0.9618  345.427   54.697  296.116   64.963 49.31180 84.92310 
1 1 1    5   46    7 o  579.451   34.918   8.9346   1.0342   8.1763   1.3750   9.9224   1.5693  551.903   48.459  606.999   50.286 -55.09607 69.83555 
1 1 1    5   46    9 o  242.710   39.140   1.6515   0.4790   1.9570   0.6985   1.3802   0.6582  264.675   53.181  220.745   57.442 43.93033 78.28028 
1 1 1    5   46   11 o  473.467   39.431   6.2237   0.9144   6.5240   1.1524   5.7134   1.5023  493.795   45.395  453.139   64.486 40.65573 78.86115 
1 1 1    5   46   13 o  417.810   42.250   4.7666   0.8987   4.4744   1.1779   5.1737   1.3901  404.070   56.698  431.550   62.655 -27.48007 84.50034 
1 1 1    5   46   15 o  290.248   38.782   2.1095   0.5798   4.5023   0.9512   0.6950   0.7314  409.618   45.168  170.879   63.056 238.7393 77.56428 
1 1 1    5   46   17 o  1448.84   35.919   57.236   2.6687   53.483   3.8071   60.862   3.7421  1398.58   52.947  1499.10   48.553 -100.5187 71.83828 
1 1 1    5   46   19 o  346.353   40.819   3.3601   0.7073   3.8400   1.0277   2.9282   0.9748  373.772   53.479  318.934   61.682 54.83777 81.63708 
1 1 1    5   46   21 o  549.090   54.849   8.9681   1.2966   8.9907   2.5292   8.9600   1.5101  527.144   96.892  571.036   51.436 -43.89203 109.6982 
1 1 1    5   46   23 o  579.668   61.863   10.769   1.6506   9.5005   2.7821   11.457   2.0504  526.222  106.489  633.114   62.992 -106.8917 123.7253 
1 1 1    5   46   25 o  325.776   39.568   3.0289   0.6468   2.8446   0.9234   3.2064   0.9062  312.173   59.709  339.379   51.937 -27.20682 79.13668 
1 1 1    5   46   27 o  398.060   38.584   4.4984   0.7853   4.2606   1.1487   4.7071   1.0759  385.853   57.904  410.267   51.009 -24.41376 77.16721 
1 1 1    5   46   29 f  410.515   41.781   4.9946   0.8358   6.0568   1.1697   3.8869   1.1946  465.012   48.928  356.017   67.739 108.9951 83.56145 
1 1 1    5   46   31 f  472.873   62.613   7.7488   1.3949   8.0295   1.7316   7.2299   2.3541  514.564   65.454  431.182  106.757 83.38196 125.2252 
1 1 1    5   47    0 o  270.289   71.353   2.6625   0.9497   3.3914   1.4136   2.0628   1.2822  314.466   99.432  226.113  102.362 0.000000 0.000000 
1 1 1    5   47    2 o  477.924   43.011   6.3733   1.0288   4.7821   1.4491   7.9903   1.4608  412.773   68.282  543.075   52.320 -130.3015 86.02192 
1 1 1    5   47    4 o  521.352   40.995   7.5067   1.0677   9.6825   1.5383   5.4846   1.4830  599.057   49.948  443.647   65.019 155.4105 81.98924 
1 1 1    5   47    6 o  662.716   40.119   12.136   1.3439   9.7700   1.9064   14.474   1.8948  593.562   62.470  731.870   50.356 -138.3085 80.23879 
1 1 1    5   47    8 o  163.681   40.959   0.6738   0.4298   0.7801   0.5421   0.4939   0.7054  169.980   54.651  157.382   61.023 12.59811 81.91784 
1 1 1    5   47   10 o  357.122   46.247   3.6425   0.8145   3.4924   1.0952   3.8281   1.2183  349.917   63.205  364.326   67.530 -14.40933 92.49380 
1 1 1    5   47   12 o  679.008   41.199   12.774   1.4261   13.076   1.9153   12.397   2.1364  691.485   53.875  666.532   62.345 24.95325 82.39736 
1 1 1    5   47   14 o  507.777   35.541   6.9356   0.9135   7.4576   1.4421   6.5859   1.1805  521.532   53.783  494.022   46.477 27.50940 71.08260 
1 1 1    5   47   16 o  818.711   35.296   18.315   1.4534   18.046   2.2905   18.496   1.8805  808.569   55.099  828.852   44.130 -20.28345 70.59282 
1 1 1    5   47   18 o  162.861   38.335   0.7144   0.3782   0.8099   0.5113   0.5989   0.5619  170.663   52.845  155.059   55.549 15.60477 76.67033 
1 1 1    5   47   20 o  210.589   53.973   1.1387   0.7126   1.6386   1.2641   0.9059   0.8628  234.553   83.390  186.626   68.547 47.92764 107.9470 
1 1 1    5   47   22 o  393.163   42.109   4.2544   0.8359   3.6617   1.0663   5.1993   1.3465  359.988   57.614  426.337   61.428 -66.34894 84.21852 
1 1 1    5   47   24 o  160.011   39.839   0.6431   0.4060   0.8920   0.6312   0.4674   0.5302  177.763   59.089  142.260   53.452 35.50246 79.67819 
1 1 1    5   47   26 o  236.191   41.352   1.6716   0.5020   1.4564   0.7220   1.8731   0.6985  219.798   61.480  252.584   55.318 -32.78517 82.70347 
1 1 1    5   47   28 o  453.650   38.777   5.8982   0.9018   5.3286   1.2440   6.5291   1.3092  429.279   56.365  478.021   53.270 -48.74124 77.55463 
1 1 1    5   47   30 o  221.365   57.137   1.5257   0.7717   1.4145   0.8912   1.8588   1.5425  210.789   70.220  231.941   90.154 -21.15218 114.2744 
1 1 1    5   48    1 o  393.878   42.194   4.2913   0.8537   4.0693   1.1978   4.5205   1.2171  382.975   60.835  404.780   58.486 -21.80521 84.38873 
1 1 1    5   48    3 o  459.209   59.073   6.7084   1.2250   7.4259   1.4879   5.1986   2.1584  520.396   55.611  398.022  104.240 122.3731 118.1463 
1 1 1    5   48    5 o  184.533   47.229   0.8017   0.5336   0.6954   0.6320   1.0656   0.9962  166.308   58.979  202.758   73.781 -36.45068 94.45723 
1 1 1    5   48    7 o  394.989   55.976   4.7069   1.0456   4.8588   1.2779   4.3993   1.8188  418.599   59.380  371.378   94.905 47.22177 111.9511 
1 1 1    5   48    9 o  172.188   45.782   0.6680   0.5432   0.8399   0.8505   0.5495   0.7060  184.289   67.999  160.087   61.321 24.20125 91.56465 
1 1 1    5   48   11 o  724.708   35.852   14.427   1.3008   13.819   2.0584   14.831   1.6784  706.714   56.651  742.703   43.955 -35.98871 71.70345 
1 1 1    5   48   13 o  258.371   41.031   1.9682   0.5440   1.4032   0.8274   2.3984   0.7220  219.418   67.107  297.323   47.231 -77.90483 82.06167 
1 1 1    5   48   15 f  600.159   37.923   10.220   1.1251   8.6407   1.7553   11.322   1.4658  552.867   61.754  647.453   44.036 -94.58618 75.84653 
1 1 1    5   48   17 o  241.492   47.060   1.7555   0.5878   1.6172   1.0141   1.8255   0.7214  231.935   74.767  251.050   57.171 -19.11470 94.12029 
1 1 1    5   48   19 o  457.707   65.490   7.2017   1.4141   5.6499   2.4322   7.9942   1.7381  388.919  114.160  526.495   64.212 -137.5764 130.9802 
1 1 1    5   48   21 o  176.788   39.274   0.7704   0.4461   0.1648   0.6074   1.4796   0.6573  129.062   54.174  224.514   56.877 -95.45181 78.54827 
1 1 1    5   48   23 o  336.978   40.377   3.2645   0.6824   3.6564   0.9971   2.9190   0.9360  359.591   53.932  314.364   60.105 45.22617 80.75395 
1 1 1    5   48   25 o  589.702   38.330   9.9299   1.1603   10.545   1.6458   9.3223   1.6361  609.672   52.506  569.731   55.857 39.94110 76.66043 
1 1 1    5   48   27 o  174.446   46.720   0.6772   0.4972   0.5094   0.5642   1.2606   1.0520  145.223   55.008  203.668   75.533 -58.44576 93.44015 
1 1 1    5   48   29 o  529.819   46.440   8.8113   1.1901   7.8659   1.9490   9.3734   1.5028  489.435   77.453  570.203   51.261 -80.76837 92.87992 
1 1 1    5   49    0 o  1463.35   81.111   59.770   6.0595   59.770   6.0595   0.0000   0.0000  1463.35   81.111  1463.35   81.111 0.000000 0.000000 
1 1 1    5   49    2 o  790.224   60.805   18.898   2.4325   15.466   3.4068   22.467   3.4744  705.379   93.940  875.068   77.227 -169.6896 121.6095 
1 1 1    5   49    4 o  859.535   60.235   22.340   2.6464   22.970   3.6059   21.604   3.8962  880.733   79.635  838.337   90.396 42.39642 120.4702 
1 1 1    5   49    6 o  817.183   54.653   18.418   2.2962   0.0000   0.0000   18.418   2.2962  ?   ?   817.183   54.653      ?      ? 
1 1 1    5   49    8 o  747.706   40.287   15.453   1.5353   18.369   2.2529   12.924   2.0978  816.397   53.675  679.016   60.092 137.3814 80.57351 
1 1 1    5   49   10 o  220.433   40.733   1.5048   0.5009   0.6895   0.8123   2.0051   0.6363  172.813   65.872  268.053   47.934 -95.23927 81.46666 
1 1 1    5   49   12 o  674.044   32.827   12.336   1.1364   13.135   1.6424   11.602   1.5740  695.321   45.943  652.767   46.900 42.55481 65.65322 
1 1 1    5   49   14 f  870.298   42.604   22.818   1.7234   17.138   2.8832   25.975   2.1496  760.222   73.767  980.374   42.648 -220.1519 85.20868 
1 1 1    5   49   16 o  401.832   44.410   4.4838   0.8779   6.0081   1.4050   3.5077   1.1243  459.862   59.428  343.801   66.009 116.0610 88.81939 
1 1 1    5   49   18 o  440.855   37.863   5.5204   0.8312   5.8073   1.0736   5.0910   1.3133  460.546   45.340  421.164   60.652 39.38177 75.72592 
1 1 1    5   49   20 o  174.431   41.714   0.8505   0.4449   0.9330   0.6443   0.7753   0.6151  180.655   59.681  168.206   58.297 12.44899 83.42860 
1 1 1    5   49   22 o  763.149   37.663   16.528   1.4774   16.418   2.1068   16.635   2.0723  759.729   53.939  766.569   52.580 -6.840332 75.32639 
1 1 1    5   49   24 o  274.401   45.237   2.3181   0.6266   2.4302   0.8923   2.2090   0.8803  281.680   63.172  267.121   64.766 14.55936 90.47333 
1 1 1    5   49   26 o  173.660   46.147   0.8431   0.5799   1.1298   0.6713   0.0000   1.1513  192.484   60.707  154.836   69.519 37.64841 92.29442 
1 1 1    5   50    1 o  480.251   43.641   6.5773   1.0595   5.3546   1.5061   7.7750   1.4906  430.997   67.970  529.505   54.756 -98.50711 87.28239 
1 1 1    5   50    3 o  639.148   40.895   11.430   1.3438   11.494   1.9089   11.367   1.8919  640.820   57.941  637.476   57.726 3.344055 81.78903 
1 1 1    5   50    5 o  516.324   41.150   7.4629   1.0820   8.8123   1.5676   6.2350   1.4954  563.781   54.083  468.867   62.036 94.91412 82.30057 
1 1 1    5   50    7 o  192.108   43.490   1.0483   0.4865   0.9689   0.6834   1.1299   0.6929  186.051   61.465  198.166   61.543 -12.11488 86.98019 
1 1 1    5   50    9 o  448.072   38.993   5.8011   0.8584   6.8213   1.1411   4.4711   1.3029  501.439   44.264  394.704   64.207 106.7348 77.98583 
1 1 1    5   50   11 o  725.294   38.404   14.266   1.3834   16.380   2.3290   13.113   1.7197  759.687   59.629  690.901   48.415 68.78607 76.80890 
1 1 1    5   50   13 o  282.797   45.982   2.3034   0.6537   3.1373   1.0265   1.7347   0.8477  325.841   63.559  239.752   66.464 86.08832 91.96349 
1 1 1    5   50   15 o  542.880   40.250   8.1384   1.0723   7.6195   1.3172   9.1578   1.8461  524.693   48.829  561.067   63.999 -36.37390 80.49947 
1 1 1    5   50   17 o  845.762   35.021   19.973   1.5044   20.298   1.9947   19.544   2.2912  859.272   45.152  832.252   53.547 27.02026 70.04295 
1 1 1    5   50   19 o  489.071   33.826   6.6605   0.8505   6.7241   1.2049   6.5974   1.2007  491.519   47.681  486.623   47.993 4.895844 67.65173 
1 1 1    5   50   21 o  511.551   40.664   7.6488   1.0528   6.3004   1.4941   8.9784   1.4836  460.412   63.119  562.690   51.285 -102.2780 81.32755 
1 1 1    5   50   23 o  286.565   44.512   2.5559   0.6580   1.8117   0.9416   3.2658   0.9197  236.387   71.437  336.742   53.123 -100.3553 89.02430 
1 1 1    5   51    0 o  763.289   61.329   17.132   2.3128   18.038   3.2001   16.142   3.3463  791.105   80.595  735.474   92.463 -0.000000 0.000000 
1 1 1    5   51    2 o  285.083   44.732   1.7025   0.7324   0.2524   0.8806   4.9581   1.3194  153.546   64.880  416.620   61.598 -263.0747 89.46349 
1 1 1    5   51    4 o  497.680   61.904   8.5252   1.3550   6.0141   2.3916   9.7124   1.6445  405.858  111.285  589.502   54.258 -183.6436 123.8075 
1 1 1    5   51    6 f  384.059   56.358   4.3430   1.0064   5.2129   1.8833   3.9953   1.1907  394.965   94.089  373.152   62.065 21.81332 112.7157 
1 1 1    5   51    8 o  474.955   62.479   7.2857   1.4583   6.9707   2.2716   7.5065   1.9020  450.234  100.661  499.675   74.038 -49.44077 124.9573 
1 1 1    5   51   10 o  246.862   52.602   1.9049   0.7229   1.9768   0.9791   1.8188   1.0716  252.565   71.934  241.160   76.768 11.40506 105.2042 
1 1 1    5   51   12 o  714.018   46.354   15.818   1.5229   17.690   1.8799   12.245   2.5972  802.313   45.575  625.724   80.732 176.5886 92.70797 
1 1 1    5   51   14 o  320.367   40.240   2.9779   0.6378   3.0307   0.8401   2.9061   0.9798  329.533   49.585  311.201   63.391 18.33173 80.48072 
1 1 1    5   51   16 o  854.429   36.347   20.820   1.5607   19.166   2.4046   22.023   2.0516  815.498   57.351  893.359   44.667 -77.86090 72.69324 
1 1 1    5   51   18 o  168.071   41.300   0.7929   0.4348   0.7516   0.6686   0.8232   0.5724  166.600   60.471  169.542   56.268 -2.942108 82.60036 
1 1 1    5   51   20 o  750.669   36.033   16.046   1.3715   16.230   2.1188   15.913   1.7993  748.124   55.087  753.213   46.464 -5.089355 72.06612 
1 1 1    5   51   22 o  239.745   45.461   1.8138   0.5749   2.0819   0.8293   1.5657   0.7978  257.700   63.099  221.791   65.463 35.90839 90.92211 
1 1 1    5   52    1 o  266.945   63.281   2.3749   1.0231   2.4239   1.4686   2.3286   1.4262  269.056   90.147  264.834   88.834 4.221741 126.5618 
1 1 1    5   52    3 o  319.711   65.786   3.5840   1.1610   3.0474   1.8264   3.9478   1.5039  292.063  100.497  347.359   84.921 -55.29532 131.5723 
1 1 1    5   52    5 o  203.531   53.667   1.1668   0.7509   1.0470   1.1663   1.2515   0.9813  200.293   78.243  206.768   73.476 -6.474731 107.3345 
1 1 1    5   52    7 o  432.174   51.483   5.3001   1.0688   3.3253   1.3475   8.6502   1.7551  319.500   81.710  544.847   62.655 -225.3477 102.9665 
1 1 1    5   52    9 o  577.237   46.633   9.7271   1.3565   9.1558   1.7369   10.621   2.1718  562.315   60.080  592.161   71.338 -29.84589 93.26641 
1 1 1    5   52   11 o  614.315   37.126   10.682   1.1519   10.599   1.7928   10.741   1.5032  606.732   57.472  621.897   47.015 -15.16510 74.25202 
1 1 1    5   52   13 o  377.980   42.656   4.3645   0.7680   3.3800   1.1766   5.0954   1.0137  327.659   71.825  428.300   46.037 -100.6411 85.31266 
1 1 1    5   52   15 o  291.486   43.713   2.7448   0.6425   1.7024   0.9987   3.4809   0.8392  229.794   74.210  353.178   46.218 -123.3844 87.42604 
1 1 1    5   52   17 o  199.661   40.511   1.2018   0.4400   1.0380   0.6134   1.3754   0.6316  186.074   57.925  213.247   56.650 -27.17325 81.02191 
1 1 1    5   52   19 o  158.874   36.937   0.6484   0.3905   0.1352   0.5492   1.1730   0.5552  120.242   51.047  197.506   53.400 -77.26414 73.87369 
1 1 1    5   53    0 o  643.641   66.639   12.835   2.0586   12.457   2.9704   13.183   2.8556  628.821   99.282  658.461   88.918 0.000000 0.000000 
1 1 1    5   53    2 o  361.776   47.976   4.1128   0.8575   2.1976   1.2008   6.1058   1.2249  257.950   81.168  465.602   51.170 -207.6519 95.95114 
1 1 1    5   53    4 o  612.698   51.807   11.090   1.5492   13.192   2.7154   10.076   1.8864  640.402   82.474  584.994   62.721 55.40802 103.6140 
1 1 1    5   53    6 o  284.477   53.235   2.2693   0.7775   4.0157   1.3817   1.4602   0.9405  352.296   78.312  216.657   72.133 135.6391 106.4701 
1 1 1    5   53    8 o  237.722   52.719   1.8619   0.7281   1.4493   1.2036   2.1001   0.9143  216.545   80.697  258.899   67.863 -42.35461 105.4389 
1 1 1    5   53   10 o  231.550   49.567   1.6979   0.6383   1.7694   0.9530   1.6398   0.8595  234.876   72.052  228.224   68.088 6.652328 99.13337 
1 1 1    5   53   12 o  464.284   35.731   6.1724   0.8440   5.3665   1.2124   6.9300   1.1755  430.785   54.743  497.782   45.934 -66.99689 71.46109 
1 1 1    5   53   14 o  143.572   37.034   0.5013   0.3718   0.2106   0.5354   0.7719   0.5167  123.701   51.307  163.443   53.419 -39.74265 74.06750 
1 1 1    5   54    1 o  417.332   71.971   6.7214   1.5659   7.9256   2.1251   5.2906   2.3164  480.438   89.321  354.226  112.877 126.2122 143.9426 
1 1 1    5   54    3 o  231.865   56.922   1.6644   0.9100   2.7464   1.2930   0.6021   1.2811  282.175   83.352  181.555   77.541 100.6207 113.8430 
1 1 1    5   54    5 o  356.875   46.161   3.8835   0.8284   4.2460   1.1989   3.5521   1.1461  377.319   61.800  336.431   68.588 40.88815 92.32293 
1 1 1    5   54    7 o  250.714   46.281   1.9756   0.6314   2.7435   0.9079   1.2565   0.8786  300.083   60.929  201.344   69.680 98.73851 92.56119 
1 1 1    5   54    9 o  261.553   48.770   2.2039   0.6648   2.1790   0.9687   2.2261   0.9139  258.723   70.780  264.384   67.115 -5.660767 97.54097 
1 1 1    5   54   11 o  450.284   42.990   6.1097   0.9918   5.8812   1.4392   6.3163   1.3687  438.973   63.767  461.595   57.674 -22.62119 85.97983 
1 1 1    5   55    0 o  252.630   58.188   2.2076   0.9873   0.0000   1.3478   4.7635   1.4503  121.308   80.666  383.952   83.883 -0.000000 0.000000 
1 1 1    6    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0    2 o  2090.06   45.023  112.876   4.8227  114.684   7.0048  111.247   6.6497  2105.77   64.841  2074.34   62.480 0.000000 0.000000 
1 1 1    6    0    4 o  138.398   42.797   0.7009   0.3243   0.8556   0.4676   0.5575   0.4502  155.526   61.031  121.270   60.013 0.000000 0.000000 
1 1 1    6    0    6 o  598.222   38.644   9.4502   1.1655   9.3529   1.6564   9.5455   1.6404  594.923   55.249  601.521   54.047 -0.000000 0.000000 
1 1 1    6    0    8 o  1912.66   37.933   94.491   3.7231   95.473   5.2486   93.497   5.2821  1922.76   53.187  1902.55   54.100 0.000000 0.000000 
1 1 1    6    0   10 o  2887.73   38.251  215.111   5.6741  211.737   7.9995  218.528   8.0496  2864.86   54.355  2910.59   53.834 0.000000 0.000000 
1 1 1    6    0   12 f  137.099   62.121   0.7028   0.4723   0.0000   0.0000   0.7028   0.4723  137.099   62.121  137.099   62.121 0.000000 0.000000 
1 1 1    6    0   14 o  231.043   48.257   1.7307   0.5198   1.2015   0.7290   2.2777   0.7413  181.062   77.043  281.025   58.130 0.000000 0.000000 
1 1 1    6    0   16 o  1177.93   39.143   36.047   2.3581   36.957   3.3444   35.148   3.3254  1192.93   54.793  1162.94   55.914 -0.000000 0.000000 
1 1 1    6    0   18 f  1581.40   39.313   64.917   3.1815   60.179   4.4774   69.748   4.5216  1522.40   57.389  1640.40   53.744 0.000000 0.000000 
1 1 1    6    0   20 o  858.427   40.032   19.300   1.7486   19.725   2.4647   18.870   2.4810  868.298   55.738  848.556   57.475 0.000000 0.000000 
1 1 1    6    0   22 o  543.231   58.600   7.8805   1.5884   7.8805   1.5884   0.0000   0.0000  543.231   58.600  543.231   58.600 0.000000 0.000000 
1 1 1    6    0   24 o  1075.94   57.162   30.108   3.1416   0.0000   0.0000   30.108   3.1416  1075.94   57.162  1075.94   57.162 0.000000 0.000000 
1 1 1    6    0   26 f  1333.73   56.478   46.107   3.8569   0.0000   0.0000   46.107   3.8569  1333.73   56.478  1333.73   56.478 -0.000000 0.000000 
1 1 1    6    0   28 o  1346.17   56.499   46.972   3.8946   46.972   3.8946   0.0000   0.0000  1346.17   56.499  1346.17   56.499 0.000000 0.000000 
1 1 1    6    0   30 o  475.122   61.071   6.1060   1.4241   6.1060   1.4241   0.0000   0.0000  475.122   61.071  475.122   61.071 0.000000 0.000000 
1 1 1    6    0   32 o  352.379   68.176   3.5425   1.1021   3.5425   1.1021   0.0000   0.0000  352.379   68.176  352.379   68.176 0.000000 0.000000 
1 1 1    6    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0   36 o  102.358   51.922   0.3970   0.3411   0.3970   0.3411   0.0000   0.0000  102.358   51.922  102.358   51.922 0.000000 0.000000 
1 1 1    6    0   38 o  830.206   41.294   17.928   1.7526   0.0000   0.0000   17.928   1.7526  830.206   41.294  830.206   41.294 -0.000000 0.000000 
1 1 1    6    0   40 o  1074.12   41.140   29.959   2.2643   0.0000   0.0000   29.959   2.2643  1074.12   41.140  1074.12   41.140 -0.000000 0.000000 
1 1 1    6    0   42 o  1185.56   41.494   36.533   2.5222   36.533   2.5222   0.0000   0.0000  1185.56   41.494  1185.56   41.494 0.000000 0.000000 
1 1 1    6    0   44 o  143.522   70.101   0.7986   0.6109   0.7986   0.6109   0.0000   0.0000  143.522   70.101  143.522   70.101 0.000000 0.000000 
1 1 1    6    0   46 o  205.628   62.971   1.3752   0.5819   0.0000   0.0000   1.3752   0.5819  205.628   62.971  205.628   62.971 -0.000000 0.000000 
1 1 1    6    0   48 o  272.013   55.446   2.1599   0.6859   2.1599   0.6859   0.0000   0.0000  272.013   55.446  272.013   55.446 0.000000 0.000000 
1 1 1    6    0   50 o  506.250   44.219   6.8546   1.1307   0.0000   0.0000   6.8546   1.1307  506.250   44.219  506.250   44.219 -0.000000 0.000000 
1 1 1    6    0   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0   54 o  341.687   76.929   3.5986   1.1793   3.5986   1.1793   0.0000   0.0000  341.687   76.929  341.687   76.929 0.000000 0.000000 
1 1 1    6    0   56 o  133.534   56.808   0.6752   0.3964   0.6752   0.3964   0.0000   0.0000  133.534   56.808  133.534   56.808 0.000000 0.000000 
1 1 1    6    0   58 o  484.853   48.016   6.4847   1.1700   0.0000   0.0000   6.4847   1.1700  484.853   48.016  484.853   48.016 -0.000000 0.000000 
1 1 1    6    1    1 o  1844.65   33.189   87.771   3.1475   88.809   4.4587   86.740   4.4438  1855.54   46.738  1833.75   47.135 21.79333 66.37860 
1 1 1    6    1    3 o  2877.81   28.642  213.468   4.2372  211.415   6.0238  215.479   5.9612  2864.04   40.909  2891.59   40.099 -27.54834 57.28394 
1 1 1    6    1    5 o  2132.76   32.383  115.582   3.3379  112.371   4.0503  122.377   5.8929  2088.42   37.722  2177.10   52.648 -88.67285 64.76698 
1 1 1    6    1    7 o  706.812   26.672   12.876   0.9687   13.386   1.3717   12.368   1.3682  720.806   37.015  692.817   38.411 27.98889 53.34322 
1 1 1    6    1    9 o  1764.59   26.898   80.236   2.4402   80.039   3.4511   80.432   3.4509  1762.42   38.087  1766.76   37.991 -4.335205 53.79535 
1 1 1    6    1   11 o  2218.45   54.113  127.162   6.1719  127.162   6.1719   0.0000   0.0000  2218.45   54.113  ?   ?       ?      ? 
1 1 1    6    1   13 o  1569.60   27.295   63.547   2.2009   60.622   3.1123   66.474   3.1128  1533.34   39.479  1605.86   37.702 -72.51648 54.58998 
1 1 1    6    1   15 o  400.833   27.634   4.1505   0.5679   4.5285   0.8062   3.7782   0.8001  419.031   37.420  382.635   40.672 36.39667 55.26751 
1 1 1    6    1   17 o  1107.55   27.559   31.685   1.5693   31.792   2.2188   31.577   2.2198  1109.45   38.899  1105.66   39.050 3.789795 55.11800 
1 1 1    6    1   19 o  110.528   25.460   0.2978   0.1682   0.3797   0.2416   0.2208   0.2344  120.661   36.126  100.394   35.885 20.26702 50.91967 
1 1 1    6    1   21 o  595.145   34.151   9.2254   0.9846   9.3344   1.2093   9.0111   1.6957  601.137   39.127  589.153   55.983 11.98456 68.30141 
1 1 1    6    1   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    1   25 o  1929.68   34.092   95.584   3.2018   94.426   3.9271   97.881   5.5298  1913.68   39.915  1945.68   55.280 -31.99622 68.18375 
1 1 1    6    1   27 o  972.504   34.553   24.485   1.6302   24.617   2.0015   24.224   2.8098  977.144   39.840  967.863   56.466 9.281189 69.10628 
1 1 1    6    1   29 f  1524.31   39.916   60.120   3.1279   61.027   4.4279   59.216   4.4193  1535.86   56.075  1512.77   56.822 23.09558 79.83206 
1 1 1    6    1   31 o  1514.64   40.172   59.423   3.1271   61.453   4.4345   57.416   4.4104  1540.53   55.990  1488.75   57.622 51.78235 80.34395 
1 1 1    6    1   33 o  1991.70   40.324  102.980   4.1205  111.059   5.8470   95.009   5.8078  2070.01   54.941  1913.39   59.039 156.6222 80.64780 
1 1 1    6    1   35 o  1042.02   40.692   28.219   2.1781   29.811   3.1007   26.669   3.0602  1071.26   56.298  1012.78   58.771 58.48083 81.38486 
1 1 1    6    1   37 o  919.195   34.550   21.289   1.5537   19.907   1.8960   24.115   2.7107  876.444   42.077  961.945   54.811 -85.50079 69.09928 
1 1 1    6    1   39 o  338.931   35.109   3.1817   0.5470   1.6325   0.7582   4.8630   0.7899  244.566   60.608  433.295   35.457 -188.7287 70.21771 
1 1 1    6    1   41 o  536.803   29.877   7.5335   0.8173   6.3263   1.1440   8.7915   1.1679  492.216   45.208  581.389   39.072 -89.17334 59.75303 
1 1 1    6    1   43 o  580.943   42.538   8.9982   1.2659   8.1052   1.7841   9.9036   1.7964  550.909   62.989  610.977   57.188 -60.06842 85.07626 
1 1 1    6    1   45 o  842.720   39.188   20.019   1.5427   16.018   2.6583   22.051   1.8943  768.313   67.297  917.128   40.175 -148.8150 78.37646 
1 1 1    6    1   47 o  540.262   40.432   8.4334   1.0180   6.2381   1.7073   9.6445   1.2680  475.508   69.837  605.016   40.766 -129.5086 80.86449 
1 1 1    6    1   49 o  560.303   36.385   8.1536   1.0027   9.4647   1.7333   7.4941   1.2293  590.072   57.135  530.533   45.070 59.53851 72.77097 
1 1 1    6    1   51 o  321.836   42.464   3.0513   0.6356   2.4654   1.0909   3.3525   0.7820  289.077   73.297  354.595   42.897 -65.51804 84.92720 
1 1 1    6    1   53 o  146.495   35.768   0.5201   0.3093   0.4645   0.3732   0.6423   0.5529  134.611   45.441  158.378   55.250 -23.76680 71.53663 
1 1 1    6    1   55 o  364.492   39.972   3.3447   0.6914   2.4764   0.8284   5.3387   1.2553  292.846   57.071  436.138   55.982 -143.2921 79.94419 
1 1 1    6    1   57 o  105.678   30.330   0.1573   0.2574   0.2475   0.3229   0.0000   0.4265  109.230   41.556  102.126   44.190 7.104271 60.66062 
1 1 1    6    1   59 o  266.596   36.629   2.0673   0.4910   2.4522   0.7140   1.7219   0.6763  294.569   47.144  238.624   56.074 55.94492 73.25884 
1 1 1    6    2    0 o  878.156   67.218   20.238   2.9939   20.238   2.9939   0.0000   0.0000  878.156   67.218  878.156   67.218 0.000000 0.000000 
1 1 1    6    2    2 o  1322.07   30.574   45.019   2.0755   45.887   3.0245   44.247   2.8534  1334.03   44.097  1310.12   42.362 23.90869 61.14846 
1 1 1    6    2    4 o  1128.11   27.582   32.779   1.5990   32.339   2.2228   33.251   2.3020  1120.30   38.592  1135.93   39.417 -15.62988 55.16416 
1 1 1    6    2    6 o  2056.06   26.755  108.967   2.8270  111.457   3.9725  106.413   4.0240  2079.95   37.148  2032.18   38.515 47.77466 53.51025 
1 1 1    6    2    8 o  291.810   26.941   2.1976   0.4033   2.3674   0.5700   2.0275   0.5706  303.137   36.574  280.483   39.567 22.65411 53.88109 
1 1 1    6    2   10 o  1953.14   32.882   97.516   3.1185  101.177   5.4287   95.713   3.8098  1979.12   53.353  1927.17   38.451 51.95264 65.76485 
1 1 1    6    2   12 o  1331.42   38.241   45.815   2.6177   45.781   3.7109   45.849   3.6930  1330.91   54.233  1331.93   53.929 -1.023071 76.48267 
1 1 1    6    2   14 o  987.958   27.385   25.174   1.3905   24.379   1.9629   25.975   1.9701  972.252   39.268  1003.66   38.180 -31.41296 54.76960 
1 1 1    6    2   16 o  1278.26   27.518   42.182   1.8079   40.985   2.5549   43.383   2.5587  1260.02   39.439  1296.49   38.387 -36.47131 55.03633 
1 1 1    6    2   18 o  896.202   34.867   21.529   1.4915   22.916   1.8351   18.830   2.5600  941.749   37.900  850.655   58.535 91.09424 69.73330 
1 1 1    6    2   20 o  928.848   33.598   22.214   1.5201   21.920   1.8659   22.796   2.6213  920.895   39.410  936.801   54.425 -15.90649 67.19611 
1 1 1    6    2   22 o  1122.52   39.261   32.659   2.2656   32.212   3.2095   33.103   3.1986  1114.78   55.999  1130.26   55.043 -15.47961 78.52173 
1 1 1    6    2   24 f  1728.16   39.475   77.253   3.5073   77.683   4.9827   76.831   4.9377  1732.90   55.927  1723.42   55.726 9.486938 78.95087 
1 1 1    6    2   26 o  973.264   33.349   23.726   1.5932   22.163   1.9512   26.852   2.7598  927.092   40.936  1019.44   52.657 -92.34473 66.69707 
1 1 1    6    2   28 o  1829.35   33.093   88.302   2.6819   90.257   3.1079   82.601   5.3073  1871.90   32.294  1786.80   57.773 85.09924 66.18624 
1 1 1    6    2   30 o  1573.97   34.457   67.610   2.3582   71.189   2.7336   57.200   4.6625  1662.27   31.987  1485.67   61.042 176.6010 68.91450 
1 1 1    6    2   32 o  857.067   35.247   19.152   1.4598   19.454   1.7905   18.552   2.5211  868.180   40.114  845.955   57.967 22.22473 70.49328 
1 1 1    6    2   34 o  597.935   57.772   9.2843   1.7760   9.2843   1.7760   0.0000   0.0000  597.935   57.772  ?   ?       ?      ? 
1 1 1    6    2   36 o  964.716   35.334   24.180   1.6529   24.222   2.0271   24.098   2.8553  967.524   40.751  961.908   57.736 5.615845 70.66859 
1 1 1    6    2   38 o  986.693   34.699   24.684   1.6739   23.306   2.0448   27.485   2.9146  947.711   41.967  1025.68   55.270 -77.96405 69.39745 
1 1 1    6    2   40 o  802.078   35.153   16.468   1.3717   15.772   1.6714   17.904   2.4008  778.642   41.751  825.513   56.567 -46.87030 70.30610 
1 1 1    6    2   42 o  114.066   29.395   0.2777   0.2239   0.2550   0.3205   0.2994   0.3130  112.243   41.678  115.890   41.463 -3.647285 58.78931 
1 1 1    6    2   44 o  175.997   40.646   0.8002   0.4192   0.7953   0.6519   0.8036   0.5473  177.566   60.059  174.427   54.783 3.139389 81.29158 
1 1 1    6    2   46 o  625.365   35.766   10.041   1.0984   11.643   1.9061   9.2446   1.3439  658.890   56.268  591.840   44.167 67.05023 71.53152 
1 1 1    6    2   48 o  405.592   40.402   4.6464   0.7614   4.0530   1.2877   4.9654   0.9441  378.024   68.790  433.160   42.392 -55.13614 80.80341 
1 1 1    6    2   50 o  267.515   35.541   2.0356   0.4678   2.8365   0.6573   1.2134   0.6660  327.510   39.037  207.520   59.403 119.9899 71.08142 
1 1 1    6    2   52 o  299.999   48.300   2.6342   0.7287   2.7951   1.0331   2.4749   1.0280  310.028   66.783  289.971   69.796 20.05698 96.59959 
1 1 1    6    2   54 f  336.015   40.979   3.0781   0.6558   3.6026   1.1491   2.8246   0.7987  350.385   66.215  321.644   48.299 28.74182 81.95871 
1 1 1    6    2   56 o  351.464   36.291   3.5128   0.6174   2.5197   0.8600   4.5692   0.8870  292.952   59.139  409.976   42.080 -117.0235 72.58214 
1 1 1    6    2   58 o  471.402   41.338   6.5228   0.9417   6.6109   1.1633   6.3553   1.6036  486.470   46.514  456.334   68.351 30.13596 82.67625 
1 1 1    6    3    1 o  1127.83   40.295   32.726   2.1720   33.242   3.8782   32.490   2.6217  1133.24   66.563  1122.42   45.433 10.82898 80.59000 
1 1 1    6    3    3 o  1140.85   28.619   33.528   1.6782   32.730   2.3425   34.370   2.4054  1126.91   40.432  1154.80   40.515 -27.88171 57.23766 
1 1 1    6    3    5 f  671.958   27.417   11.628   0.9469   11.266   1.3209   12.010   1.3580  661.206   38.857  682.711   38.690 -21.50507 54.83454 
1 1 1    6    3    7 o  2326.96   26.880  139.581   3.2143  143.376   4.5261  135.718   4.5657  2358.99   37.319  2294.93   38.696 64.06177 53.75919 
1 1 1    6    3    9 o  1233.40   33.166   39.220   1.9795   39.341   3.4415   39.160   2.4198  1234.05   54.243  1232.74   38.180 1.311523 66.33276 
1 1 1    6    3   11 o  2129.75   38.309  116.903   4.1947  116.903   4.1947   0.0000   0.0000  2129.75   38.309  ?   ?       ?      ? 
1 1 1    6    3   13 o  353.774   38.565   3.2416   0.7000   3.0166   0.9932   3.4638   0.9868  341.473   56.571  366.075   52.429 -24.60159 77.13051 
1 1 1    6    3   15 o  1610.33   33.300   66.797   2.6064   66.341   3.1966   67.702   4.5019  1603.54   38.774  1617.11   54.149 -13.57739 66.59952 
1 1 1    6    3   17 o  1679.56   33.255   72.204   2.7268   70.441   3.3463   75.689   4.7040  1651.18   39.419  1707.93   53.571 -56.75549 66.51092 
1 1 1    6    3   19 o  1349.01   33.260   46.372   2.1953   44.674   2.6937   49.728   3.7882  1314.42   39.861  1383.60   53.254 -69.18420 66.51979 
1 1 1    6    3   21 o  912.196   39.223   21.597   1.8377   22.824   2.6098   20.391   2.5880  938.091   54.112  886.301   56.796 51.78967 78.44683 
1 1 1    6    3   23 o  1322.21   32.261   45.045   2.1930   45.045   2.1930   0.0000   0.0000  1322.21   32.261  ?   ?       ?      ? 
1 1 1    6    3   25 o  1803.71   31.731   82.671   2.5741   81.347   2.9768   86.598   5.1248  1777.11   32.581  1830.31   54.461 -53.19373 63.46233 
1 1 1    6    3   27 o  1906.47   33.167   96.544   2.7903   99.312   3.2333   88.468   5.5231  1963.65   32.027  1849.29   58.091 114.3574 66.33443 
1 1 1    6    3   29 o  216.788   34.811   1.4441   0.3633   1.7316   0.4262   0.6798   0.6950  259.263   31.974  174.311   61.846 84.95210 69.62270 
1 1 1    6    3   31 o  2453.50   32.118  152.674   3.5452  149.754   4.0979  161.360   7.0685  2410.52   33.066  2496.49   55.071 -85.97412 64.23578 
1 1 1    6    3   33 o  251.570   64.300   1.7081   0.8348   1.7081   0.8348   0.0000   0.0000  251.570   64.300  ?   ?       ?      ? 
1 1 1    6    3   35 o  1721.97   40.488   77.136   3.5793   72.305   5.0572   81.984   5.0665  1667.32   58.996  1776.62   55.468 -109.2970 80.97694 
1 1 1    6    3   37 o  531.089   35.574   7.3179   0.9165   7.2802   1.1227   7.3931   1.5869  530.072   41.196  532.107   58.008 -2.035095 71.14794 
1 1 1    6    3   39 o  1127.62   41.280   33.422   2.3824   37.358   3.3946   29.601   3.3445  1194.34   55.283  1060.90   61.318 133.4437 82.55990 
1 1 1    6    3   41 o  362.063   46.936   3.7493   0.8312   1.7281   1.1716   5.7970   1.1793  253.606   80.221  470.521   48.751 -216.9148 93.87296 
1 1 1    6    3   43 o  717.405   59.726   13.699   2.2029   0.0000   0.0000   13.699   2.2029  ?   ?   717.405   59.726      ?      ? 
1 1 1    6    3   45 o  363.135   40.708   3.6857   0.6880   3.2532   1.1700   3.9144   0.8507  340.426   69.207  385.843   42.883 -45.41644 81.41564 
1 1 1    6    3   47 o  408.612   31.380   4.4185   0.6589   4.6099   0.9408   4.2341   0.9231  417.441   43.835  399.782   44.913 17.65851 62.75913 
1 1 1    6    3   49 o  687.737   30.502   12.570   1.0768   13.387   1.5245   11.756   1.5211  710.768   41.718  664.706   44.511 46.06262 61.00483 
1 1 1    6    3   51 o  202.429   37.475   1.2611   0.4394   1.6833   0.5280   0.3103   0.7924  251.662   40.809  153.196   62.866 98.46576 74.94977 
1 1 1    6    3   53 o  380.032   43.416   4.1705   0.7635   4.3211   0.9345   3.8682   1.3237  400.090   45.433  359.974   73.999 40.11536 86.83281 
1 1 1    6    3   55 o  389.618   33.685   4.2020   0.6672   3.7215   0.9752   4.6248   0.9148  366.253   51.791  412.983   43.087 -46.72998 67.37028 
1 1 1    6    3   57 o  495.381   32.943   6.8191   0.8366   6.3980   1.1990   7.2185   1.1678  478.765   48.711  511.997   44.365 -33.23239 65.88576 
1 1 1    6    3   59 o  557.741   33.518   8.8456   0.9523   10.064   1.3435   7.6150   1.3500  600.583   43.510  514.899   50.996 85.68445 67.03514 
1 1 1    6    4    0 o  4244.50   66.381  465.065   14.478  465.065   14.478   0.0000   0.0000  4244.50   66.381  4244.50   66.381 0.000000 0.000000 
1 1 1    6    4    2 o  859.060   47.023   19.125   2.0742   19.677   2.8891   18.539   2.9796  872.032   64.440  846.087   68.498 25.94574 94.04511 
1 1 1    6    4    4 o  723.184   37.933   13.771   1.2657   14.128   1.5017   12.897   2.3520  740.420   39.449  705.948   64.803 34.47296 75.86584 
1 1 1    6    4    6 o  1105.95   34.438   31.732   1.8104   32.012   2.1841   31.116   3.2365  1114.62   38.113  1097.27   57.371 17.34692 68.87652 
1 1 1    6    4    8 o  938.460   38.144   22.752   1.8400   22.589   2.6225   22.910   2.5824  935.100   54.550  941.820   53.331 -6.720276 76.28825 
1 1 1    6    4   10 o  1314.55   38.186   44.534   2.5808   44.534   2.5808   0.0000   0.0000  1314.55   38.186  ?   ?       ?      ? 
1 1 1    6    4   12 o  2312.14   31.121  138.014   3.2348  138.102   3.7553  137.763   6.3688  2315.63   31.543  2308.66   53.658 6.971191 62.24247 
1 1 1    6    4   14 o  552.027   30.888   7.7127   0.7703   7.5496   0.8919   8.1912   1.5279  541.311   32.050  562.743   52.812 -21.43158 61.77573 
1 1 1    6    4   16 o  602.320   31.895   9.4704   0.8560   9.5626   0.9917   9.2008   1.6956  609.027   31.671  595.613   55.373 13.41382 63.79030 
1 1 1    6    4   18 o  360.235   30.064   3.0898   0.4967   2.8034   0.5723   3.9642   0.9998  329.544   33.776  390.926   49.745 -61.38202 60.12787 
1 1 1    6    4   20 o  268.570   32.691   1.8290   0.3869   1.7524   0.4470   2.0575   0.7722  260.603   33.366  276.536   56.228 -15.93307 65.38206 
1 1 1    6    4   22 o  876.223   55.897   19.891   2.5181   19.891   2.5181   0.0000   0.0000  876.223   55.897  ?   ?       ?      ? 
1 1 1    6    4   24 o  411.213   35.338   4.4911   0.6988   4.7469   0.8632   4.0047   1.1902  429.071   39.131  393.356   58.854 35.71542 70.67579 
1 1 1    6    4   26 o  982.528   32.243   24.885   1.4190   24.857   1.6435   24.966   2.8128  982.375   32.541  982.681   55.674 -0.3057251 64.48629 
1 1 1    6    4   28 o  779.666   34.843   16.851   1.1709   17.987   1.3583   13.563   2.3105  835.679   31.613  723.653   62.103 112.0259 69.68612 
1 1 1    6    4   30 o  1901.72   33.386   96.147   2.7999   98.903   3.2436   88.089   5.5461  1959.24   32.200  1844.19   58.494 115.0540 66.77139 
1 1 1    6    4   32 o  627.390   33.633   9.6584   1.0419   8.4572   1.2764   12.058   1.8038  572.205   43.388  682.575   51.401 -110.3701 67.26524 
1 1 1    6    4   34 o  265.754   43.426   1.8261   0.5933   1.8261   0.5933   0.0000   0.0000  265.754   43.426  ?   ?       ?      ? 
1 1 1    6    4   36 o  1147.31   40.568   34.304   2.3889   36.885   3.4010   31.790   3.3562  1190.40   55.570  1104.21   59.119 86.18823 81.13650 
1 1 1    6    4   38 o  1425.27   40.932   53.180   2.9968   56.074   4.2662   50.360   4.2107  1464.08   56.677  1386.46   59.072 77.62500 81.86386 
1 1 1    6    4   40 o  497.232   42.588   6.5252   1.0784   7.7078   1.5527   5.4232   1.4989  541.696   55.753  452.768   64.393 88.92764 85.17532 
1 1 1    6    4   42 o  1039.89   34.952   27.547   1.7805   25.729   2.1764   31.227   3.0961  992.403   42.656  1087.37   55.382 -94.96741 69.90493 
1 1 1    6    4   44 o  239.691   48.381   1.5666   0.5757   1.5666   0.5757   0.0000   0.0000  239.691   48.381  ?   ?       ?      ? 
1 1 1    6    4   46 o  401.624   41.101   4.5978   0.7540   5.0049   0.9287   3.8099   1.2918  436.077   41.421  367.170   71.002 68.90704 82.20103 
1 1 1    6    4   48 o  624.637   30.394   10.341   0.9737   9.4522   1.3656   11.260   1.3889  596.655   44.516  652.619   41.393 -55.96466 60.78716 
1 1 1    6    4   50 o  692.014   30.891   12.795   1.0917   14.534   1.5514   11.089   1.5365  740.310   40.761  643.718   46.428 96.59222 61.78197 
1 1 1    6    4   52 o  135.039   37.865   0.3097   0.3891   0.3103   0.5880   0.3092   0.5191  137.762   55.010  132.315   52.048 5.447342 75.73019 
1 1 1    6    4   54 o  508.216   39.072   6.9732   0.9720   7.9067   1.6872   6.5094   1.1891  527.764   62.180  488.668   47.331 39.09583 78.14468 
1 1 1    6    4   56 o  389.867   36.659   4.2727   0.6850   5.9263   1.0133   2.8811   0.9295  466.652   42.234  313.083   59.932 153.5693 73.31789 
1 1 1    6    4   58 o  172.277   34.794   0.8655   0.3275   0.7080   0.4715   1.0123   0.4552  157.885   50.991  186.669   47.355 -28.78342 69.58857 
1 1 1    6    5    1 o  2145.82   33.054  118.628   3.2829  119.123   6.1815  118.433   3.8745  2147.32   55.993  2144.32   35.144 2.996094 66.10798 
1 1 1    6    5    3 o  749.616   39.006   14.555   1.3492   14.607   1.5913   14.424   2.5443  752.783   41.116  746.449   66.298 6.334106 78.01296 
1 1 1    6    5    5 o  1194.31   36.701   37.001   2.0420   37.241   2.4255   36.414   3.7839  1202.13   39.245  1186.49   62.031 15.64209 73.40297 
1 1 1    6    5    7 o  1518.82   39.275   59.762   3.0585   63.011   4.2543   56.286   4.4002  1562.01   52.975  1475.62   57.999 86.39148 78.55093 
1 1 1    6    5    9 o  748.429   38.129   14.435   1.4672   14.435   1.4672   0.0000   0.0000  748.429   38.129  ?   ?       ?      ? 
1 1 1    6    5   11 o  1375.33   37.950   48.937   2.6765   53.296   3.8035   44.661   3.7672  1436.35   51.506  1314.31   55.750 122.0400 75.90066 
1 1 1    6    5   13 f  1024.31   32.907   26.917   1.6463   26.535   2.0257   27.661   2.8251  1014.38   38.843  1034.24   53.130 -19.86139 65.81457 
1 1 1    6    5   15 o  1995.87   31.224  102.441   2.8032  101.929   3.2509  103.925   5.5351  1988.64   31.797  2003.10   53.747 -14.46326 62.44797 
1 1 1    6    5   17 o  814.953   31.302   16.969   1.1497   16.736   1.3321   17.651   2.2766  805.411   32.169  824.495   53.706 -19.08405 62.60319 
1 1 1    6    5   19 o  1237.49   31.840   39.638   1.7617   39.621   2.0393   39.689   3.4977  1239.19   32.008  1235.79   55.051 3.402344 63.68047 
1 1 1    6    5   21 f  2324.73   39.390  139.545   4.7079  139.545   4.7079   0.0000   0.0000  2324.73   39.390  ?   ?       ?      ? 
1 1 1    6    5   23 o  1211.39   33.167   39.221   1.7676   40.560   2.0486   35.319   3.4972  1254.79   31.755  1167.98   58.238 86.80432 66.33330 
1 1 1    6    5   25 o  310.766   38.958   2.9702   0.4975   3.3688   0.5764   1.8065   0.9849  361.682   30.998  259.850   71.484 101.8328 77.91544 
1 1 1    6    5   27 o  422.662   30.399   4.2323   0.5950   3.8038   0.6889   5.4910   1.1806  384.228   34.873  461.095   49.802 -76.86703 60.79739 
1 1 1    6    5   29 o  2962.54   32.054  223.805   4.2638  220.928   4.9306  232.336   8.4912  2928.30   32.750  2996.77   55.112 -68.46777 64.10818 
1 1 1    6    5   31 o  386.909   33.873   3.5713   0.6440   2.9027   0.7823   4.9759   1.1340  335.198   45.396  438.620   50.286 -103.4219 67.74590 
1 1 1    6    5   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    5   35 o  610.248   39.181   10.528   1.1038   12.162   1.3667   7.4643   1.8716  686.001   38.752  534.494   68.109 151.5073 78.36176 
1 1 1    6    5   37 o  419.975   37.349   4.7356   0.7564   5.0479   0.9402   4.1622   1.2738  441.294   41.438  398.656   62.150 42.63788 74.69792 
1 1 1    6    5   39 o  860.976   34.903   18.836   1.4701   17.761   1.7969   21.011   2.5569  826.564   42.283  895.388   55.542 -68.82495 69.80572 
1 1 1    6    5   41 o  742.356   36.034   14.582   1.2981   14.842   1.6012   14.084   2.2175  754.695   41.267  730.016   59.083 24.67932 72.06740 
1 1 1    6    5   43 o  606.060   59.911   9.7869   1.8668   9.7869   1.8668   0.0000   0.0000  606.060   59.911  ?   ?       ?      ? 
1 1 1    6    5   45 o  284.997   43.396   2.2539   0.6536   3.5408   0.9439   1.0680   0.9061  365.327   50.254  204.667   70.763 160.6595 86.79198 
1 1 1    6    5   47 o  627.750   40.160   11.338   1.1732   12.754   1.4501   8.6559   1.9958  695.604   40.549  559.897   69.333 135.7065 80.31951 
1 1 1    6    5   49 o  379.555   41.958   4.2541   0.7235   4.8265   0.8997   3.2071   1.2169  426.918   40.992  332.191   73.223 94.72723 83.91582 
1 1 1    6    5   51 o  385.101   32.921   4.0324   0.6320   2.9101   0.8837   5.2074   0.9042  327.272   52.522  442.930   39.706 -115.6581 65.84142 
1 1 1    6    5   53 o  152.069   39.223   0.5444   0.3966   0.4635   0.5291   0.6480   0.5990  143.462   53.496  160.676   57.374 -17.21326 78.44508 
1 1 1    6    5   55 o  322.387   33.589   2.8503   0.5563   3.0029   0.7985   2.7064   0.7755  331.013   46.923  313.761   48.074 17.25156 67.17765 
1 1 1    6    5   57 o  277.716   38.335   2.2489   0.5237   2.2626   0.7948   2.2383   0.6962  276.300   57.806  279.131   50.366 -2.830933 76.67027 
1 1 1    6    5   59 o  109.178   31.142   0.1528   0.2723   0.3596   0.4177   0.0000   0.3590  124.918   47.329   93.438   40.488 31.48064 62.28473 
1 1 1    6    6    0 o  2082.10   36.310  111.450   3.7685  113.660   6.1382  110.113   4.7741  2097.68   57.010  2066.52   44.983 0.000000 0.000000 
1 1 1    6    6    2 o  1116.57   29.486   32.145   1.6921   32.410   2.3677   31.869   2.4190  1121.32   41.069  1111.82   42.319 9.499023 58.97110 
1 1 1    6    6    4 o  1660.08   33.789   70.915   2.7941   71.880   4.5693   70.339   3.5312  1668.33   53.272  1651.83   41.580 16.49988 67.57778 
1 1 1    6    6    6 o  807.267   38.423   16.834   1.5945   16.481   2.2496   17.191   2.2604  798.718   54.783  815.816   53.891 -17.09814 76.84634 
1 1 1    6    6    8 o  1743.84   33.488   78.633   2.8119   78.937   3.4259   78.006   4.9222  1750.19   38.074  1737.49   55.102 12.69788 66.97654 
1 1 1    6    6   10 o  3506.40   33.057  318.449   5.6180  320.768   6.8942  313.865   9.6925  3527.82   38.011  3484.98   54.096 42.83984 66.11501 
1 1 1    6    6   12 o  409.863   32.317   4.2333   0.6520   3.9980   0.8028   4.6895   1.1178  393.737   39.658  425.988   51.037 -32.25156 64.63370 
1 1 1    6    6   14 o  1414.60   34.379   53.556   2.3227   57.179   2.8615   46.560   3.9766  1488.86   37.383  1340.34   57.706 148.5209 68.75700 
1 1 1    6    6   16 o  1339.40   33.664   46.861   2.1839   47.700   2.6864   45.226   3.7503  1358.94   38.451  1319.86   55.267 39.07629 67.32713 
1 1 1    6    6   18 o  1666.32   33.726   72.327   2.7247   73.046   3.3480   70.917   4.6888  1681.01   38.739  1651.63   55.218 29.38416 67.45168 
1 1 1    6    6   20 o  600.099   39.272   9.3478   1.2116   9.3389   1.7216   9.3565   1.7054  599.786   55.829  600.413   55.248 -0.6260986 78.54440 
1 1 1    6    6   22 o  779.221   39.530   15.665   1.5837   15.665   1.5837   0.0000   0.0000  779.221   39.530  ?   ?       ?      ? 
1 1 1    6    6   24 o  2068.62   34.073  110.570   3.4246  110.732   4.2069  110.252   5.8964  2072.38   39.484  2064.87   55.543 7.509033 68.14660 
1 1 1    6    6   26 o  1153.48   32.385   34.409   1.6655   34.483   1.9260   34.189   3.3165  1157.07   32.376  1149.90   56.098 7.161499 64.77042 
1 1 1    6    6   28 o  1205.26   35.026   38.196   2.0316   39.533   2.4953   35.567   3.4993  1238.21   39.197  1172.30   58.059 65.90967 70.05190 
1 1 1    6    6   30 o  815.671   34.918   17.336   1.3771   17.615   1.6901   16.784   2.3755  826.303   39.784  805.039   57.395 21.26379 69.83508 
1 1 1    6    6   32 o  1324.15   40.215   45.458   2.7356   47.845   3.8910   43.125   3.8468  1358.76   55.700  1289.54   58.022 69.21753 80.43042 
1 1 1    6    6   34 o  1291.31   32.995   43.426   1.9013   43.702   2.2025   42.620   3.7669  1301.63   32.912  1281.00   57.197 20.63586 65.98956 
1 1 1    6    6   36 o  1073.36   34.020   30.686   1.6128   31.479   1.8689   28.372   3.1920  1104.04   32.925  1042.69   59.544 61.34729 68.04048 
1 1 1    6    6   38 o  804.524   34.335   17.252   1.2201   17.651   1.4132   16.086   2.4182  826.021   33.278  783.026   60.068 42.99512 68.66992 
1 1 1    6    6   40 o  880.987   33.022   19.932   1.3098   19.579   1.5160   20.973   2.6011  869.088   33.928  892.886   56.663 -23.79810 66.04374 
1 1 1    6    6   42 f  1055.30   36.076   29.485   1.8496   29.856   2.2812   28.774   3.1602  1069.23   41.498  1041.38   59.025 27.85388 72.15241 
1 1 1    6    6   44 o  927.366   35.350   22.027   1.6089   20.459   1.9697   25.172   2.7892  882.551   43.409  972.182   55.804 -89.63104 70.69986 
1 1 1    6    6   46 o  779.899   35.556   15.635   1.3608   14.412   1.6640   18.105   2.3645  738.717   43.812  821.081   56.013 -82.36444 71.11220 
1 1 1    6    6   48 o  741.186   38.583   15.377   1.3612   16.535   1.6824   13.182   2.3162  790.655   41.387  691.717   65.129 98.93848 77.16630 
1 1 1    6    6   50 o  782.273   39.080   17.122   1.4574   18.089   1.7939   15.245   2.4997  824.717   42.309  739.829   65.719 84.88751 78.15977 
1 1 1    6    6   52 f  503.053   64.184   7.1147   1.6600   7.1147   1.6600   0.0000   0.0000  503.053   64.184  ?   ?       ?      ? 
1 1 1    6    6   54 o  198.742   41.762   1.1502   0.4357   0.9934   0.8322   1.2094   0.5113  191.089   67.690  206.395   48.931 -15.30615 83.52345 
1 1 1    6    6   56 o  313.933   33.197   2.7211   0.5356   2.7176   0.7673   2.7244   0.7480  313.426   47.617  314.440   46.270 -1.014496 66.39475 
1 1 1    6    6   58 o  248.892   37.956   1.8229   0.4693   1.9502   0.7048   1.7214   0.6290  255.961   55.181  241.823   52.131 14.13747 75.91195 
1 1 1    6    7    1 o  1333.52   29.971   45.833   2.0531   46.170   2.9689   45.524   2.8423  1338.14   43.155  1328.89   41.602 9.246704 59.94254 
1 1 1    6    7    3 o  2339.64   41.646  141.114   5.0094   0.0000   0.0000  141.114   5.0094  ?   ?   2339.64   41.646      ?      ? 
1 1 1    6    7    5 o  1406.80   38.140   51.117   2.7582   50.077   3.8847   52.175   3.9170  1392.33   54.268  1421.27   53.605 -28.94067 76.27921 
1 1 1    6    7    7 o  577.423   32.967   8.4935   0.9302   8.2617   1.1418   8.9510   1.6039  566.168   39.228  588.679   52.995 -22.51086 65.93383 
1 1 1    6    7    9 o  628.342   33.525   10.114   1.0129   9.9788   1.2272   10.404   1.7938  622.222   38.362  634.461   54.993 -12.23932 67.05097 
1 1 1    6    7   11 o  861.887   33.202   19.266   1.3900   18.912   2.3850   19.449   1.7105  855.227   54.242  868.546   38.305 -13.31873 66.40368 
1 1 1    6    7   13 o  379.249   27.264   3.7109   0.5314   3.6048   0.7513   3.8171   0.7518  373.806   39.093  384.692   38.014 -10.88611 54.52846 
1 1 1    6    7   15 o  765.444   27.413   15.132   1.0786   14.785   1.5236   15.479   1.5272  756.630   39.167  774.258   38.366 -17.62854 54.82651 
1 1 1    6    7   17 o  246.318   35.492   1.6568   0.4178   1.7669   0.5145   1.4437   0.7158  261.466   38.274  231.171   59.781 30.29529 70.98302 
1 1 1    6    7   19 o  889.800   33.354   20.325   1.4486   19.936   1.7796   21.088   2.4940  878.323   39.409  901.277   53.823 -22.95361 66.70848 
1 1 1    6    7   21 o  1076.83   39.217   29.925   2.1712   29.925   2.1712   0.0000   0.0000  1076.83   39.217  ?   ?       ?      ? 
1 1 1    6    7   23 o  972.135   33.896   24.329   1.6040   24.171   1.9703   24.642   2.7619  968.154   39.584  976.117   55.035 -7.962036 67.79166 
1 1 1    6    7   25 o  1446.87   33.792   53.296   2.3886   51.722   2.9298   56.415   4.1246  1416.34   40.235  1477.39   54.302 -61.05212 67.58425 
1 1 1    6    7   27 o  1987.55   34.708  103.249   3.3319  105.736   4.0935   98.367   5.7354  2025.09   39.317  1950.00   57.208 75.08459 69.41605 
1 1 1    6    7   29 o  367.542   32.031   3.2994   0.5351   3.1035   0.6168   3.8958   1.0761  347.010   34.573  388.073   53.932 -41.06323 64.06214 
1 1 1    6    7   31 o  3415.53   34.667  302.175   5.7495  303.199   7.0624  300.163   9.9003  3427.49   40.078  3403.56   56.578 23.93286 69.33468 
1 1 1    6    7   33 o  2028.75   40.355  106.321   4.2091  106.321   4.2091   0.0000   0.0000  2028.75   40.355  ?   ?       ?      ? 
1 1 1    6    7   35 o  788.435   35.773   16.382   1.3605   16.886   1.6730   15.398   2.3375  807.996   40.274  768.873   59.133 39.12323 71.54550 
1 1 1    6    7   37 o  1157.17   33.643   35.106   1.7306   35.398   2.0024   34.246   3.4400  1170.14   33.285  1144.21   58.477 25.92932 67.28614 
1 1 1    6    7   39 o  1115.72   33.635   32.458   1.6727   32.439   1.9341   32.516   3.3322  1119.17   33.613  1112.27   58.270 6.903931 67.26995 
1 1 1    6    7   41 o  510.427   33.633   6.7993   0.7761   6.7717   0.9034   6.8770   1.5160  510.722   34.407  510.132   57.801 0.5900269 67.26698 
1 1 1    6    7   43 o  455.366   61.186   5.5412   1.4325   5.5412   1.4325   0.0000   0.0000  455.366   61.186  ?   ?       ?      ? 
1 1 1    6    7   45 o  374.652   48.908   4.1182   0.8934   2.2008   1.2826   5.9257   1.2453  277.259   83.278  472.045   51.311 -194.7859 97.81641 
1 1 1    6    7   47 o  1159.37   37.592   36.770   2.0893   38.152   2.5660   34.052   3.5987  1201.97   41.523  1116.76   62.678 85.20728 75.18445 
1 1 1    6    7   49 o  578.637   39.229   9.4696   1.0783   10.296   1.3366   7.9282   1.8249  623.051   41.727  534.224   66.443 88.82709 78.45847 
1 1 1    6    7   51 o  852.430   36.845   19.351   1.5407   18.445   1.8957   21.114   2.6445  829.942   44.427  874.917   58.791 -44.97540 73.68977 
1 1 1    6    7   53 o  810.370   39.763   18.650   1.5415   19.573   1.9017   16.881   2.6324  852.480   43.390  768.260   66.645 84.21997 79.52538 
1 1 1    6    7   55 o  232.179   35.823   1.5469   0.4172   1.8489   0.5956   1.2560   0.5846  256.341   46.925  208.016   54.141 48.32487 71.64626 
1 1 1    6    7   57 o  548.033   32.682   8.3410   0.9206   8.6125   1.3137   8.0790   1.2905  557.106   45.864  538.959   46.571 18.14722 65.36366 
1 1 1    6    8    0 o  1033.43   45.409   27.965   2.3646   27.129   3.5876   28.606   3.1441  1018.34   69.260  1048.52   58.745 0.000000 0.000000 
1 1 1    6    8    2 f  1442.45   38.344   53.695   2.8399   54.696   4.1385   52.805   3.9041  1454.99   55.325  1429.90   53.107 25.09216 76.68856 
1 1 1    6    8    4 o  2660.52   33.560  182.737   4.4182  182.990   5.5443  182.299   7.3132  2664.40   40.474  2656.64   53.543 7.757568 67.11974 
1 1 1    6    8    6 f  967.314   28.472   24.170   1.4129   25.238   1.9655   23.028   2.0326  989.581   38.632  945.046   41.835 44.53436 56.94354 
1 1 1    6    8    8 o  1707.98   27.656   75.157   2.4277   73.718   3.3799   76.691   3.4894  1691.13   38.874  1724.83   39.349 -33.70020 55.31275 
1 1 1    6    8   10 o  398.211   42.119   4.2654   0.8151   5.2992   1.1356   3.1670   1.1706  452.975   48.760  343.447   68.692 109.5278 84.23845 
1 1 1    6    8   12 o  596.325   27.401   9.1987   0.8351   7.9930   1.1743   10.432   1.1877  556.558   41.041  636.092   36.318 -79.53369 54.80293 
1 1 1    6    8   14 o  1633.12   27.295   68.900   2.2892   65.103   3.2356   72.706   3.2393  1587.85   39.635  1678.39   37.539 -90.54565 54.59052 
1 1 1    6    8   16 o  395.949   27.968   4.0703   0.5639   4.7668   0.8041   3.3963   0.7911  429.593   36.405  362.305   42.469 67.28827 55.93661 
1 1 1    6    8   18 o  772.784   27.740   15.462   1.0983   17.045   1.5597   13.906   1.5467  812.274   37.348  733.295   41.026 78.97900 55.48011 
1 1 1    6    8   20 o  347.864   56.277   3.1385   1.0065   3.1385   1.0065   0.0000   0.0000  347.864   56.277  ?   ?       ?      ? 
1 1 1    6    8   22 o  701.386   39.609   12.792   1.4179   11.045   2.0072   14.532   2.0033  653.026   59.786  749.747   51.971 -96.72113 79.21705 
1 1 1    6    8   24 o  748.508   35.177   14.932   1.2638   15.895   1.5622   13.108   2.1502  785.235   38.696  711.781   58.756 73.45416 70.35394 
1 1 1    6    8   26 o  369.159   33.552   3.4140   0.6114   3.1701   0.7534   3.8846   1.0465  350.591   41.799  387.728   52.496 -37.13785 67.10425 
1 1 1    6    8   28 o  1921.67   34.230   94.877   3.2055   93.795   3.9377   97.004   5.5194  1906.96   40.164  1936.38   55.441 -29.41833 68.46039 
1 1 1    6    8   30 o  338.310   35.241   2.9015   0.5807   2.7853   0.7084   3.1393   1.0138  328.483   41.949  348.138   56.639 -19.65521 70.48165 
1 1 1    6    8   32 o  1173.77   40.335   35.576   2.4341   35.576   2.4341   0.0000   0.0000  1173.77   40.335  ?   ?       ?      ? 
1 1 1    6    8   34 o  414.069   35.674   4.4742   0.7171   4.5361   0.8832   4.3546   1.2284  418.890   41.011  409.249   58.382 9.641388 71.34705 
1 1 1    6    8   36 o  721.889   34.376   13.973   1.0934   14.415   1.2677   12.690   2.1605  746.974   33.010  696.804   60.309 50.17041 68.75177 
1 1 1    6    8   38 o  328.160   38.096   3.0382   0.5284   3.2136   0.6134   2.5334   1.0405  352.355   33.861  303.964   68.255 48.39066 76.19240 
1 1 1    6    8   40 f  757.537   32.098   14.096   1.1066   13.163   1.2755   16.934   2.2257  712.295   34.828  802.779   53.928 -90.48303 64.19659 
1 1 1    6    8   42 o  681.217   59.082   12.331   2.0692   12.331   2.0692   0.0000   0.0000  681.217   59.082  ?   ?       ?      ? 
1 1 1    6    8   44 o  223.737   35.861   1.2762   0.3610   1.1721   0.4161   1.5929   0.7260  208.131   40.341  239.343   59.301 -31.21187 71.72166 
1 1 1    6    8   46 o  396.260   36.364   4.0428   0.7087   3.7052   0.8683   4.7166   1.2267  374.078   45.148  418.441   57.019 -44.36322 72.72858 
1 1 1    6    8   48 o  376.878   42.964   4.1730   0.7462   4.7425   0.9368   3.1850   1.2340  422.773   43.101  330.982   74.337 91.79102 85.92825 
1 1 1    6    8   50 o  631.875   42.159   11.952   1.2043   13.723   1.4777   8.4499   2.0782  719.360   39.955  544.390   74.251 174.9697 84.31799 
1 1 1    6    8   52 o  493.156   61.155   6.7992   1.5506   6.7992   1.5506   0.0000   0.0000  493.156   61.155  ?   ?       ?      ? 
1 1 1    6    8   54 f  144.019   36.793   0.4946   0.3552   0.3323   0.5052   0.6534   0.4995  131.757   51.487  156.281   52.575 -24.52385 73.58697 
1 1 1    6    8   56 o  528.405   32.308   7.6930   0.8774   7.4227   1.2293   7.9736   1.2527  518.625   46.104  538.185   45.272 -19.56006 64.61550 
1 1 1    6    8   58 o  489.113   33.672   6.7544   0.8382   7.9182   1.2026   5.6549   1.1688  533.452   43.847  444.774   51.115 88.67825 67.34480 
1 1 1    6    9    1 o  1115.93   28.493   32.112   1.6247   32.218   2.1823   31.980   2.4335  1118.16   37.961  1113.69   42.502 4.475830 56.98629 
1 1 1    6    9    3 f  1830.44   29.503   86.383   2.7760   88.502   3.9391   84.292   3.9128  1852.79   41.352  1808.09   42.092 44.69812 59.00598 
1 1 1    6    9    5 o  1297.69   28.892   43.425   1.9267   43.780   2.6903   43.051   2.7605  1303.19   40.154  1292.18   41.552 11.01489 57.78326 
1 1 1    6    9    7 o  1330.60   28.198   45.646   1.9276   45.677   2.6760   45.612   2.7791  1331.15   39.102  1330.05   40.641 1.096436 56.39679 
1 1 1    6    9    9 o  1266.10   34.735   41.335   2.0851   41.227   2.5032   41.580   3.7686  1264.55   38.503  1267.65   57.824 -3.094971 69.47009 
1 1 1    6    9   11 o  720.995   27.728   13.523   1.0172   15.549   1.4265   11.426   1.4510  776.625   35.727  665.366   42.415 111.2589 55.45695 
1 1 1    6    9   13 o  192.890   28.801   0.9889   0.2827   1.2643   0.4020   0.7195   0.3976  221.390   35.322  164.391   45.500 56.99913 57.60172 
1 1 1    6    9   15 o  1186.05   27.288   36.356   1.6635   35.318   2.3503   37.397   2.3547  1169.01   39.106  1203.09   38.068 -34.08301 54.57535 
1 1 1    6    9   17 o  823.644   27.478   17.535   1.1636   17.432   1.6458   17.639   1.6453  821.202   38.981  826.085   38.739 -4.882507 54.95675 
1 1 1    6    9   19 o  191.995   37.911   0.9692   0.4028   1.3286   0.5711   0.6136   0.5681  222.086   51.085  161.904   56.028 60.18237 75.82137 
1 1 1    6    9   21 o  2139.24   38.981  118.500   4.2849  114.362   6.0743  122.598   6.0454  2101.76   56.214  2176.71   54.020 -74.95386 77.96243 
1 1 1    6    9   23 o  127.571   27.653   0.4079   0.2079   0.5818   0.2904   0.2249   0.2979  147.481   38.044  107.662   40.143 39.81907 55.30610 
1 1 1    6    9   25 o  283.716   39.145   2.3278   0.5160   2.7015   0.6322   1.5819   0.8931  323.744   37.982  243.689   68.459 80.05542 78.28938 
1 1 1    6    9   27 o  827.353   33.349   16.996   1.3566   15.520   1.6593   19.972   2.3559  775.656   41.610  879.051   52.128 -103.3949 66.69870 
1 1 1    6    9   29 o  947.717   35.506   23.884   1.6123   25.214   1.9845   21.303   2.7652  988.688   39.042  906.747   59.317 81.94092 71.01225 
1 1 1    6    9   31 o  1077.28   56.897   30.082   3.1513   30.082   3.1513   0.0000   0.0000  1077.28   56.897  ?   ?       ?      ? 
1 1 1    6    9   33 o  529.060   41.153   7.2658   1.1187   7.6300   1.6046   6.9213   1.5605  542.011   57.582  516.110   58.810 25.90106 82.30666 
1 1 1    6    9   35 o  1157.54   34.756   34.431   1.9617   33.687   2.4060   35.906   3.3879  1140.80   41.022  1174.27   56.117 -33.46326 69.51202 
1 1 1    6    9   37 o  706.183   32.610   12.459   1.0375   11.942   1.1947   14.044   2.0927  679.411   34.201  732.954   55.534 -53.54297 65.22060 
1 1 1    6    9   39 o  369.367   34.007   3.5600   0.5666   3.5559   0.6591   3.5716   1.1088  370.377   34.612  368.357   58.549 2.020691 68.01495 
1 1 1    6    9   41 o  205.261   37.551   1.0690   0.3880   0.8424   0.4796   1.4987   0.6603  176.785   50.340  233.738   55.732 -56.95354 75.10133 
1 1 1    6    9   43 o  575.602   35.069   8.3164   0.9894   7.4156   1.2029   10.201   1.7398  531.419   44.026  619.785   54.599 -88.36658 70.13827 
1 1 1    6    9   45 o  193.397   37.634   1.1043   0.4279   1.5472   0.5299   0.2735   0.7257  238.454   44.867  148.340   60.435 90.11433 75.26857 
1 1 1    6    9   47 o  326.450   38.680   2.8468   0.6051   2.6950   0.7455   3.1400   1.0359  318.437   45.534  334.463   62.539 -16.02679 77.35963 
1 1 1    6    9   49 o  350.738   45.016   3.9436   0.7233   5.0311   0.9104   2.0831   1.1908  435.709   40.642  265.767   80.338 169.9416 90.03278 
1 1 1    6    9   51 o  469.964   37.755   5.9732   0.8560   5.8652   1.0423   6.1971   1.5003  468.199   43.301  471.728   61.861 -3.529175 75.51050 
1 1 1    6    9   53 o  309.702   43.748   3.1813   0.6424   4.0031   0.7929   1.6113   1.0959  386.636   39.890  232.768   77.874 153.8678 87.49658 
1 1 1    6    9   55 o  227.875   39.121   1.3204   0.4486   0.8282   0.5460   2.3436   0.7871  171.377   54.820  284.373   55.828 -112.9959 78.24296 
1 1 1    6    9   57 f  198.029   38.296   1.2758   0.4510   1.7354   0.5514   0.3475   0.7836  247.162   45.054  148.895   61.940 98.26627 76.59248 
1 1 1    6   10    0 o  1305.03   39.693   44.176   2.5587   44.275   3.2243   44.008   4.2048  1308.44   48.079  1301.62   63.172 0.000000 0.000000 
1 1 1    6   10    2 o  1148.25   28.276   33.979   1.6578   33.909   2.2171   34.067   2.4966  1147.11   37.594  1149.40   42.248 -2.291138 56.55251 
1 1 1    6   10    4 o  1383.08   29.332   49.332   2.0851   50.782   2.9516   47.888   2.9459  1403.42   40.908  1362.73   42.047 40.68896 58.66346 
1 1 1    6   10    6 o  1779.53   28.713   81.752   2.6233   84.071   3.6493   79.273   3.7738  1805.84   39.306  1753.21   41.867 52.62903 57.42636 
1 1 1    6   10    8 o  2405.36   36.842  152.170   4.0997  155.763   4.8697  143.425   7.5971  2457.92   38.536  2352.80   62.805 105.1199 73.68462 
1 1 1    6   10   10 o  948.329   34.197   23.623   1.5746   22.036   2.6662   24.473   1.9513  922.607   56.208  974.051   38.965 -51.44385 68.39329 
1 1 1    6   10   12 o  1106.27   27.365   31.593   1.5560   31.781   2.1788   31.397   2.2228  1109.70   38.190  1102.84   39.203 6.855103 54.72939 
1 1 1    6   10   14 o  902.470   27.361   21.058   1.2675   19.616   1.7859   22.522   1.7991  871.169   39.875  933.772   37.476 -62.60291 54.72120 
1 1 1    6   10   16 o  1024.30   27.385   27.126   1.4417   27.971   2.0401   26.283   2.0376  1040.33   38.142  1008.27   39.307 32.06470 54.77070 
1 1 1    6   10   18 o  2138.18   33.678  118.036   3.4904  119.379   6.0580  117.368   4.2705  2144.73   54.939  2131.63   38.967 13.10693 67.35572 
1 1 1    6   10   20 o  749.944   33.109   14.204   1.2179   13.491   1.4945   15.616   2.1015  723.041   40.203  776.848   52.616 -53.80774 66.21731 
1 1 1    6   10   22 o  1633.47   34.091   69.135   2.6973   68.201   4.6601   69.606   3.3076  1623.88   55.818  1643.05   39.156 -19.17554 68.18238 
1 1 1    6   10   24 o  1791.05   27.903   82.701   2.5692   81.365   3.6279   84.045   3.6388  1776.51   39.721  1805.60   39.198 -29.09106 55.80570 
1 1 1    6   10   26 o  1088.68   34.574   30.493   1.8205   30.268   2.2214   30.953   3.1770  1083.43   39.880  1093.94   56.488 -10.50781 69.14703 
1 1 1    6   10   28 o  323.826   34.704   2.5720   0.5525   2.2757   0.6734   3.1822   0.9663  296.905   44.117  350.747   53.584 -53.84198 69.40809 
1 1 1    6   10   30 o  1291.69   40.034   43.238   2.6573   44.960   3.7704   41.538   3.7459  1317.42   55.666  1265.97   57.552 51.45154 80.06834 
1 1 1    6   10   32 o  1404.98   40.285   51.233   2.9097   51.451   4.1442   51.022   4.0863  1407.85   57.256  1402.10   56.686 5.749512 80.57021 
1 1 1    6   10   34 o  883.083   34.251   19.775   1.4855   18.786   1.8258   21.712   2.5549  852.132   41.675  914.033   54.367 -61.90100 68.50282 
1 1 1    6   10   36 o  588.533   35.772   8.9851   1.0217   8.9186   1.2514   9.1180   1.7695  586.497   41.501  590.570   58.278 -4.072083 71.54483 
1 1 1    6   10   38 f  337.111   36.123   3.0011   0.5274   2.9865   0.6103   3.0440   1.0480  339.518   34.963  334.704   63.222 4.813843 72.24527 
1 1 1    6   10   40 o  218.153   36.413   1.4649   0.3814   1.7065   0.4402   0.7374   0.7638  256.494   33.382  179.812   64.724 76.68196 72.82568 
1 1 1    6   10   42 o  678.221   42.174   12.039   1.4706   12.039   1.4706   0.0000   0.0000  678.221   42.174  ?   ?       ?      ? 
1 1 1    6   10   44 o  459.146   41.750   6.1086   0.8679   6.9523   1.0811   4.5791   1.4557  514.635   40.859  403.658   72.821 110.9763 83.50047 
1 1 1    6   10   46 o  299.881   40.714   3.3738   0.5823   4.4792   0.6873   0.5626   1.0960  414.130   32.280  185.632   74.757 228.4985 81.42898 
1 1 1    6   10   48 o  580.815   34.165   8.5959   0.8938   8.1501   1.0282   9.9737   1.8077  556.699   35.926  604.930   58.124 -48.23120 68.33053 
1 1 1    6   10   50 o  1004.48   37.506   27.397   1.8181   27.347   2.2234   27.496   3.1588  1012.73   42.702  996.237   61.671 16.49384 75.01231 
1 1 1    6   10   52 o  184.395   61.440   0.9326   0.6823   0.9326   0.6823   0.0000   0.0000  184.395   61.440  ?   ?       ?      ? 
1 1 1    6   10   54 o  293.587   51.192   2.6281   0.7687   2.3267   1.0529   2.9721   1.1249  274.798   73.208  312.376   71.577 -37.57764 102.3845 
1 1 1    6   10   56 o  232.123   40.684   1.7135   0.4998   2.0603   0.6134   1.0284   0.8621  273.915   43.553  190.330   68.729 83.58524 81.36734 
1 1 1    6   10   58 o  198.435   38.412   1.2736   0.4614   1.8147   0.5817   0.3555   0.7577  250.646   46.863  146.224   60.874 104.4226 76.82354 
1 1 1    6   11    1 f  1257.29   29.959   40.477   1.8860   42.034   3.0601   39.523   2.3949  1276.21   46.639  1238.36   37.616 37.84314 59.91779 
1 1 1    6   11    3 o  578.766   39.970   8.8114   1.0687   8.3163   1.9855   9.0133   1.2680  566.348   68.190  591.185   41.719 -24.83704 79.94020 
1 1 1    6   11    5 o  468.643   38.278   5.7623   0.8400   5.4694   1.5281   5.8891   1.0056  459.421   64.697  477.866   40.929 -18.44498 76.55596 
1 1 1    6   11    7 o  1066.21   37.657   29.423   1.8493   29.459   2.1776   29.328   3.5022  1068.79   39.630  1063.64   64.044 5.144287 75.31361 
1 1 1    6   11    9 o  1021.10   34.821   27.168   1.7269   26.282   2.9518   27.628   2.1294  1007.40   56.992  1034.81   40.024 -27.41345 69.64205 
1 1 1    6   11   11 o  689.084   27.648   12.276   0.9779   12.709   1.3611   11.814   1.4060  701.763   37.724  676.405   40.431 25.35828 55.29696 
1 1 1    6   11   13 o  1191.12   27.428   36.641   1.6788   35.065   2.3496   38.285   2.3996  1164.89   39.232  1217.34   38.340 -52.45081 54.85505 
1 1 1    6   11   15 o  619.494   27.453   9.9224   0.8742   10.091   1.2324   9.7512   1.2403  624.845   38.362  614.143   39.280 10.70135 54.90532 
1 1 1    6   11   17 o  1651.19   33.548   70.292   2.6868   71.553   4.6646   69.666   3.2868  1660.23   54.648  1642.14   38.930 18.09583 67.09668 
1 1 1    6   11   19 o  1047.20   33.742   28.157   1.7129   27.777   2.0918   28.931   2.9842  1037.51   39.216  1056.89   54.919 -19.38342 67.48314 
1 1 1    6   11   21 o  1360.88   34.274   48.341   2.2483   46.348   3.8920   49.339   2.7545  1338.45   56.558  1383.31   38.730 -44.85950 68.54810 
1 1 1    6   11   23 o  578.590   28.153   8.6495   0.8345   9.5034   1.1818   7.8003   1.1786  607.214   37.855  549.967   41.682 57.24664 56.30667 
1 1 1    6   11   25 o  2165.44   27.925  120.918   3.1082  123.774   4.3925  118.055   4.3989  2191.13   38.992  2139.75   39.986 51.37793 55.85015 
1 1 1    6   11   27 o  322.029   28.955   2.6749   0.4794   2.6387   0.6734   2.7120   0.6825  319.824   40.952  324.235   40.944 -4.411377 57.90943 
1 1 1    6   11   29 o  1431.64   28.305   52.890   2.0833   53.203   2.9476   52.578   2.9450  1435.88   39.928  1427.40   40.130 8.477905 56.60963 
1 1 1    6   11   31 o  1923.90   40.185   95.578   3.9748   95.578   3.9748   0.0000   0.0000  1923.90   40.185  ?   ?       ?      ? 
1 1 1    6   11   33 o  841.687   34.997   18.346   1.4314   18.317   1.7576   18.404   2.4666  841.811   40.609  841.563   57.010 0.2477417 69.99422 
1 1 1    6   11   35 o  2054.69   35.226  110.393   3.5083  111.721   4.3129  107.794   6.0318  2077.01   40.388  2032.37   57.726 44.64148 70.45258 
1 1 1    6   11   37 o  1000.90   34.126   24.830   1.6809   22.021   2.0521   30.557   2.9302  920.413   43.366  1081.38   52.704 -160.9709 68.25201 
1 1 1    6   11   39 f  1431.41   35.789   53.868   2.4789   54.248   3.0396   53.113   4.2832  1443.64   40.954  1419.18   58.703 24.45886 71.57718 
1 1 1    6   11   41 o  307.018   42.663   2.4647   0.6734   2.4647   0.6734   0.0000   0.0000  307.018   42.663  ?   ?       ?      ? 
1 1 1    6   11   43 o  128.838   32.438   0.3331   0.2451   0.2631   0.2853   0.5304   0.4789  109.441   39.537  148.234   51.437 -38.79269 64.87601 
1 1 1    6   11   45 o  207.755   36.406   1.3540   0.4263   1.8192   0.5102   0.2771   0.7762  263.349   37.680  152.161   62.304 111.1872 72.81186 
1 1 1    6   11   47 o  767.633   34.619   15.692   1.1833   15.623   1.3683   15.898   2.3566  771.840   34.481  763.427   60.041 8.412598 69.23814 
1 1 1    6   11   49 o  669.539   38.777   13.049   1.0971   13.884   1.2665   10.540   2.1955  726.898   33.890  612.180   69.758 114.7180 77.55426 
1 1 1    6   11   51 o  340.124   67.133   3.3612   1.1323   3.3612   1.1323   0.0000   0.0000  340.124   67.133  ?   ?       ?      ? 
1 1 1    6   11   53 o  201.386   41.001   1.1977   0.4332   1.2894   0.5154   0.9770   0.7994  213.512   48.109  189.260   66.407 24.25253 82.00219 
1 1 1    6   11   55 o  260.487   42.953   2.3058   0.5848   2.8805   0.7030   1.0144   1.0538  325.329   42.030  195.644   74.922 129.6849 85.90570 
1 1 1    6   11   57 o  257.456   44.360   2.2343   0.5720   2.5375   0.6682   1.4029   1.1065  302.982   42.898  211.929   77.660 91.05350 88.72009 
1 1 1    6   12    0 o  632.939   49.227   10.507   1.5796   10.507   1.5796   0.0000   0.0000  632.939   49.227  632.939   49.227 0.000000 0.000000 
1 1 1    6   12    2 o  830.867   69.139   17.911   2.9534   0.0000   0.0000   17.911   2.9534  ?   ?   830.867   69.139      ?      ? 
1 1 1    6   12    4 o  269.379   48.754   1.9495   0.6783   1.7997   0.9388   2.1131   0.9811  258.881   69.204  279.877   68.692 -20.99524 97.50796 
1 1 1    6   12    6 f  879.361   37.477   20.101   1.5646   19.728   2.8030   20.270   1.8856  872.371   62.496  886.350   41.379 -13.97913 74.95351 
1 1 1    6   12    8 o  1542.75   43.024   61.766   3.3984   62.180   4.6103   61.274   5.0290  1549.05   57.889  1536.45   63.664 12.60315 86.04822 
1 1 1    6   12   10 o  730.807   34.069   13.684   1.2220   14.270   2.0818   13.376   1.5094  741.955   54.576  719.659   40.795 22.29565 68.13761 
1 1 1    6   12   12 o  918.106   27.559   21.772   1.3003   21.472   1.8093   22.093   1.8702  911.606   38.603  924.606   39.342 -12.99994 55.11806 
1 1 1    6   12   14 o  331.637   27.959   2.8437   0.4766   2.8420   0.6670   2.8453   0.6813  331.561   39.126  331.713   39.950 -0.1524048 55.91841 
1 1 1    6   12   16 o  1733.10   33.373   76.905   2.8198   80.561   4.8776   75.071   3.4558  1761.74   53.851  1704.46   39.436 57.28284 66.74646 
1 1 1    6   12   18 o  1061.92   33.998   29.231   1.7431   29.363   2.1298   28.964   3.0335  1066.66   38.838  1057.18   55.812 9.474731 67.99532 
1 1 1    6   12   20 o  750.116   39.079   14.558   1.5067   14.179   2.1316   14.936   2.1300  740.307   56.004  759.924   54.518 -19.61707 78.15823 
1 1 1    6   12   22 o  998.803   27.823   25.720   1.4287   25.965   2.0190   25.474   2.0218  1003.59   39.131  994.018   39.563 9.570190 55.64557 
1 1 1    6   12   24 o  558.519   28.223   8.0587   0.8078   7.3007   1.1408   8.8209   1.1440  532.051   41.705  584.988   38.037 -52.93671 56.44584 
1 1 1    6   12   26 o  2067.43   27.987  110.240   2.9734  105.894   4.1902  114.647   4.2200  2026.27   40.222  2108.58   38.927 -82.30652 55.97440 
1 1 1    6   12   28 o  1190.80   28.199   36.585   1.7264   36.689   2.4377   36.480   2.4452  1192.51   39.760  1189.08   39.998 3.423828 56.39745 
1 1 1    6   12   30 o  1292.09   40.366   43.268   2.6810   42.233   3.7510   44.349   3.8332  1276.29   57.165  1307.89   57.006 -31.60413 80.73180 
1 1 1    6   12   32 o  506.886   40.877   6.6803   1.0636   6.2471   1.5026   7.1153   1.5058  490.233   59.615  523.538   55.943 -33.30487 81.75318 
1 1 1    6   12   34 o  859.991   34.972   19.244   1.4628   19.325   1.8008   19.085   2.5081  864.100   40.536  855.882   56.999 8.217529 69.94304 
1 1 1    6   12   36 o  552.148   33.981   7.4564   0.9257   6.3459   1.1311   9.7084   1.6107  494.162   44.522  610.133   51.348 -115.9710 67.96214 
1 1 1    6   12   38 o  1417.84   35.448   52.397   2.4426   52.017   2.9969   53.147   4.2156  1414.17   41.219  1421.52   57.682 -7.346436 70.89564 
1 1 1    6   12   40 o  720.866   41.735   13.765   1.5467   13.842   2.1982   13.689   2.1767  722.827   59.151  718.905   58.892 3.922546 83.46960 
1 1 1    6   12   42 o  459.158   42.990   5.6464   1.0129   5.2923   1.4389   5.9943   1.4261  444.207   63.005  474.109   58.506 -29.90268 85.97958 
1 1 1    6   12   44 o  397.639   36.917   4.0061   0.7187   3.5792   0.8729   4.9045   1.2664  367.916   46.146  427.362   57.636 -59.44604 73.83343 
1 1 1    6   12   46 o  149.839   34.742   0.5658   0.2822   0.5647   0.3259   0.5689   0.5641  144.504   41.611  155.174   55.646 -10.67010 69.48405 
1 1 1    6   12   48 o  660.263   35.577   11.660   1.0373   11.594   1.1947   11.859   2.0908  664.133   34.991  656.393   61.956 7.739929 71.15395 
1 1 1    6   12   50 o  701.575   36.284   12.603   1.2513   10.941   1.5235   16.050   2.1934  637.898   46.454  765.253   55.750 -127.3552 72.56786 
1 1 1    6   12   52 o  525.306   38.205   7.2919   0.9750   6.6585   1.1787   8.6649   1.7354  495.606   46.259  555.006   60.817 -59.40042 76.41043 
1 1 1    6   12   54 o  294.603   46.071   2.6128   0.7550   4.3240   1.0838   0.9999   1.0522  393.052   53.632  196.154   74.925 196.8974 92.14220 
1 1 1    6   12   56 o  139.660   36.054   0.4212   0.3011   0.3308   0.3477   0.6916   0.6017  118.684   43.529  160.635   57.487 -41.95139 72.10764 
1 1 1    6   13    1 o  960.126   30.900   23.677   1.4956   23.218   1.9254   24.375   2.3750  948.814   39.470  971.437   47.553 -22.62292 61.79920 
1 1 1    6   13    3 o  1276.22   41.483   42.108   2.5110   41.991   3.0156   42.373   4.5341  1275.16   45.999  1277.28   69.046 -2.125488 82.96510 
1 1 1    6   13    5 o  1139.19   39.735   33.284   2.1134   32.848   2.5023   34.367   3.9471  1128.00   43.148  1150.39   66.736 -22.39087 79.46999 
1 1 1    6   13    7 o  456.154   45.194   5.4188   1.0550   5.5795   1.4384   5.2317   1.5523  463.749   60.328  448.558   67.309 15.19098 90.38792 
1 1 1    6   13    9 o  570.117   42.625   8.3618   1.2396   7.0259   1.6714   9.9949   1.8479  519.779   62.544  620.455   57.931 -100.6765 85.25067 
1 1 1    6   13   11 o  810.362   34.463   17.124   1.3631   16.689   2.3104   17.355   1.6882  801.351   56.078  819.373   40.074 -18.02112 68.92558 
1 1 1    6   13   13 o  136.626   31.028   0.4779   0.2465   0.3492   0.4105   0.5505   0.3083  129.379   47.319  143.873   40.149 -14.49397 62.05644 
1 1 1    6   13   15 o  1222.81   39.387   38.638   2.4762   0.0000   0.0000   38.638   2.4762  ?   ?   1222.81   39.387      ?      ? 
1 1 1    6   13   17 o  1907.58   39.072   94.425   3.8262   99.497   5.3829   89.246   5.4398  1959.92   53.420  1855.24   57.032 104.6818 78.14310 
1 1 1    6   13   19 o  1233.45   33.743   39.346   2.0197   39.445   2.4786   39.148   3.4841  1236.76   38.981  1230.14   55.090 6.621704 67.48643 
1 1 1    6   13   21 o  1978.56   34.085  101.615   3.2599   99.463   5.6434  102.693   3.9937  1961.25   55.968  1995.87   38.920 -34.62207 68.17027 
1 1 1    6   13   23 o  625.425   28.165   10.090   0.9045   9.4850   1.2750   10.703   1.2834  606.491   40.891  644.359   38.741 -37.86768 56.32901 
1 1 1    6   13   25 o  233.693   31.474   1.4791   0.3644   0.9619   0.5183   1.9847   0.5124  189.886   51.698  277.501   35.914 -87.61475 62.94795 
1 1 1    6   13   27 o  1930.13   28.087   96.106   2.7871   96.899   3.9372   95.310   3.9458  1938.14   39.512  1922.11   39.929 16.02539 56.17429 
1 1 1    6   13   29 o  3448.81   40.140  308.374   7.1148  315.124   10.009  301.478   10.116  3487.45   55.821  3410.18   57.698 77.26392 80.28091 
1 1 1    6   13   31 o  1409.39   40.265   51.588   2.9163   50.318   4.1477   52.829   4.1013  1391.98   57.956  1426.79   55.911 -34.80542 80.52913 
1 1 1    6   13   33 o  753.675   28.730   14.695   1.1130   15.003   1.5744   14.388   1.5738  761.610   40.207  745.739   41.049 15.87158 57.45949 
1 1 1    6   13   35 o  2509.24   35.540  165.970   4.3052  170.122   5.2911  157.835   7.4061  2562.02   40.169  2456.47   58.642 105.5574 71.08044 
1 1 1    6   13   37 o  815.226   35.025   17.162   1.3955   16.743   1.7152   17.983   2.3999  802.550   41.570  827.902   56.382 -25.35132 70.05006 
1 1 1    6   13   39 o  804.579   35.536   16.854   1.3939   16.580   1.7124   17.392   2.3998  797.468   41.766  811.691   57.506 -14.22278 71.07255 
1 1 1    6   13   41 o  290.774   63.236   2.3419   0.9184   2.3419   0.9184   0.0000   0.0000  290.774   63.236  ?   ?       ?      ? 
1 1 1    6   13   43 o  744.066   35.908   14.409   1.2952   13.860   1.5749   15.558   2.2768  726.203   42.182  761.929   58.123 -35.72644 71.81607 
1 1 1    6   13   45 o  353.763   38.019   3.2714   0.6567   3.0900   0.8019   3.6408   1.1442  341.329   45.694  366.197   60.776 -24.86844 76.03720 
1 1 1    6   13   47 o  430.108   33.146   4.4525   0.6611   3.8875   0.7643   6.1319   1.3177  383.831   38.730  476.385   53.801 -92.55377 66.29172 
1 1 1    6   13   49 o  371.836   44.179   4.1919   0.6492   4.4334   0.7359   3.3446   1.3785  410.283   34.885  333.390   81.179 76.89331 88.35767 
1 1 1    6   13   51 o  196.058   47.225   1.0793   0.4704   1.0793   0.4704   0.0000   0.0000  196.058   47.225  ?   ?       ?      ? 
1 1 1    6   13   53 f  292.671   51.427   2.6333   0.7745   2.9494   1.0808   2.2996   1.1105  313.276   68.969  272.065   76.303 41.21191 102.8538 
1 1 1    6   13   55 o  515.387   43.330   8.0144   1.0349   8.5948   1.2613   6.8186   1.8104  559.728   43.831  471.046   74.757 88.68265 86.65913 
1 1 1    6   13   57 o  144.232   38.749   0.4508   0.3650   0.3497   0.4310   0.7069   0.6860  125.403   47.940  163.061   60.891 -37.65801 77.49800 
1 1 1    6   14    0 o  376.517   50.734   4.1824   0.8076   3.5961   1.3492   4.5098   1.0081  343.578   88.370  409.456   49.863 -0.000000 0.000000 
1 1 1    6   14    2 o  871.368   27.224   19.646   1.2160   18.488   1.7530   20.719   1.6881  846.414   40.284  896.322   36.632 -49.90820 54.44854 
1 1 1    6   14    4 o  921.134   41.305   21.965   1.7968   21.912   2.1509   22.087   3.2685  920.858   45.432  921.410   68.996 -0.5524292 82.61028 
1 1 1    6   14    6 o  2551.27   46.320  169.847   6.0511  176.677   8.3024  162.108   8.8377  2607.75   61.925  2494.79   68.903 112.9675 92.64098 
1 1 1    6   14    8 o  388.026   38.191   3.8867   0.6859   3.8610   0.8088   3.9526   1.2944  386.528   40.699  389.525   64.635 -2.996704 76.38114 
1 1 1    6   14   10 o  856.932   38.197   19.685   1.4880   20.453   1.7569   17.737   2.7983  889.626   38.413  824.237   66.035 65.38892 76.39449 
1 1 1    6   14   12 o  928.514   37.646   23.447   1.5938   24.870   1.8975   20.037   2.9373  981.026   37.621  876.002   65.219 105.0233 75.29178 
1 1 1    6   14   14 o  828.432   58.195   17.842   2.4786   0.0000   0.0000   17.842   2.4786  ?   ?   828.432   58.195      ?      ? 
1 1 1    6   14   16 o  1023.86   54.746   27.164   2.8818   27.164   2.8818   0.0000   0.0000  1023.86   54.746  ?   ?       ?      ? 
1 1 1    6   14   18 o  4372.61   33.782  495.139   7.1789  490.059   12.329  497.745   8.8302  4352.09   55.103  4393.13   39.095 -41.04199 67.56307 
1 1 1    6   14   20 o  1182.77   33.835   36.099   1.9475   36.176   3.3467   36.060   2.3946  1182.90   55.030  1182.64   39.384 0.2622070 67.67083 
1 1 1    6   14   22 o  1298.71   34.094   43.641   2.1469   43.252   3.7061   43.837   2.6339  1293.41   55.733  1304.01   39.287 -10.60107 68.18795 
1 1 1    6   14   24 f  406.500   33.028   3.9404   0.6624   5.5999   1.1486   3.1135   0.8108  465.682   47.975  347.317   45.408 118.3649 66.05686 
1 1 1    6   14   26 o  1109.33   28.084   31.744   1.6017   31.834   2.2623   31.653   2.2680  1110.92   39.610  1107.74   39.823 3.177368 56.16755 
1 1 1    6   14   28 o  373.282   36.007   3.6659   0.6505   3.4185   1.1084   3.7958   0.8034  363.084   59.375  383.480   40.749 -20.39529 72.01300 
1 1 1    6   14   30 o  1153.91   35.837   35.614   1.9759   37.850   2.4319   31.269   3.3894  1210.71   39.069  1097.10   60.090 113.6140 71.67432 
1 1 1    6   14   32 o  1875.01   28.477   90.914   2.7432   95.285   3.8928   86.602   3.8663  1920.01   39.435  1830.01   41.093 90.00159 56.95448 
1 1 1    6   14   34 o  1118.39   28.763   32.406   1.6537   33.027   2.3424   31.789   2.3350  1129.14   40.350  1107.63   41.003 21.50354 57.52664 
1 1 1    6   14   36 o  508.445   29.088   6.7157   0.7599   6.4358   1.0725   6.9980   1.0769  497.702   41.915  519.187   40.344 -21.48489 58.17673 
1 1 1    6   14   38 o  530.104   36.644   7.4962   0.9330   7.7440   1.1443   7.0049   1.6112  545.411   40.810  514.797   60.874 30.61456 73.28738 
1 1 1    6   14   40 o  530.585   60.738   7.4913   1.6569   7.4913   1.6569   0.0000   0.0000  530.585   60.738  ?   ?       ?      ? 
1 1 1    6   14   42 o  332.484   44.721   3.0609   0.7365   2.9514   1.0356   3.1729   1.0475  326.043   64.064  338.926   62.417 -12.88217 89.44279 
1 1 1    6   14   44 o  559.479   35.172   7.6472   0.9626   6.2174   1.1624   10.767   1.7170  484.278   46.686  634.680   52.618 -150.4016 70.34382 
1 1 1    6   14   46 o  324.294   46.345   2.9340   0.7589   2.0008   1.0326   4.0301   1.1192  262.883   73.526  385.706   56.437 -122.8227 92.68919 
1 1 1    6   14   48 o  163.343   30.492   0.4050   0.2563   0.1004   0.2898   1.4990   0.5491   94.025   38.234  232.662   47.511 -138.6369 60.98412 
1 1 1    6   14   50 o  147.590   47.800   0.5782   0.4141   0.5782   0.4141   0.0000   0.0000  147.590   47.800  ?   ?       ?      ? 
1 1 1    6   14   52 o  156.730   35.877   0.6449   0.2953   0.6439   0.3351   0.6481   0.6243  152.230   41.626  161.231   58.447 -9.001114 71.75454 
1 1 1    6   14   54 o  402.077   46.371   5.1281   0.8391   5.9124   1.0443   3.6998   1.4093  465.342   43.652  338.813   81.827 126.5290 92.74207 
1 1 1    6   14   56 o  216.860   37.873   1.1178   0.4268   0.5413   0.5113   2.4415   0.7748  145.341   52.863  288.379   54.249 -143.0380 75.74546 
1 1 1    6   15    1 o  1409.86   27.552   51.349   1.9955   50.010   2.8540   52.630   2.7912  1391.73   39.887  1428.00   38.018 -36.27283 55.10339 
1 1 1    6   15    3 o  350.148   46.439   3.7462   0.6681   4.1660   0.7651   2.3971   1.3715  401.778   37.037  298.518   85.174 103.2600 92.87864 
1 1 1    6   15    5 o  832.141   39.024   18.120   1.5247   17.597   2.7762   18.345   1.8245  821.838   65.705  842.444   42.123 -20.60651 78.04835 
1 1 1    6   15    7 f  1399.35   29.644   50.642   2.1326   50.353   3.0249   50.928   3.0071  1395.33   42.166  1403.37   41.679 -8.046387 59.28809 
1 1 1    6   15    9 o  1577.87   28.805   64.400   2.3355   64.692   3.2557   64.090   3.3523  1581.72   40.035  1574.02   41.425 7.707275 57.60955 
1 1 1    6   15   11 o  987.457   28.204   25.174   1.4307   24.265   1.9764   26.175   2.0738  968.785   39.680  1006.13   40.091 -37.34479 56.40723 
1 1 1    6   15   13 o  258.246   57.550   1.8001   0.7446   1.8001   0.7446   0.0000   0.0000  258.246   57.550  ?   ?       ?      ? 
1 1 1    6   15   15 o  2101.15   38.561  113.937   4.1656  113.937   4.1656   0.0000   0.0000  2101.15   38.561  ?   ?       ?      ? 
1 1 1    6   15   17 o  1648.14   34.108   69.588   2.7003   68.548   3.2678   71.827   4.7945  1630.31   38.987  1665.97   55.977 -35.66467 68.21575 
1 1 1    6   15   19 o  2552.64   39.214  168.440   5.1457  165.691   7.2070  171.299   7.3493  2531.42   55.376  2573.86   55.538 -42.44312 78.42852 
1 1 1    6   15   21 o  933.654   39.456   22.571   1.8880   24.761   2.6810   20.418   2.6591  978.875   53.273  888.433   58.215 90.44183 78.91139 
1 1 1    6   15   23 o  1032.22   39.432   27.556   2.0922   26.858   2.9505   28.262   2.9672  1019.02   56.318  1045.44   55.206 -26.41925 78.86311 
1 1 1    6   15   25 o  776.388   35.401   16.054   1.3131   14.232   2.2604   16.983   1.6133  741.272   59.311  811.505   38.668 -70.23279 70.80235 
1 1 1    6   15   27 o  694.693   40.071   12.454   1.4312   0.0000   0.0000   12.454   1.4312  ?   ?   694.693   40.071      ?      ? 
1 1 1    6   15   29 o  563.191   40.754   8.2312   1.1794   7.8974   1.6635   8.5685   1.6724  551.615   58.656  574.768   56.594 -23.15222 81.50749 
1 1 1    6   15   31 o  1913.88   34.968   95.351   3.2400   93.620   5.5939   96.225   3.9746  1898.10   57.322  1929.64   40.064 -31.53894 69.93517 
1 1 1    6   15   33 o  1876.02   35.423   92.336   3.2044   88.930   5.5455   94.044   3.9262  1846.09   58.428  1905.94   40.067 -59.85461 70.84616 
1 1 1    6   15   35 o  514.704   29.232   6.8762   0.7735   6.8179   1.0869   6.9362   1.1010  512.501   41.251  516.907   41.429 -4.405823 58.46363 
1 1 1    6   15   37 o  1192.84   28.990   37.019   1.7776   36.299   2.5115   37.742   2.5164  1181.09   41.360  1204.59   40.633 -23.49988 57.98034 
1 1 1    6   15   39 o  204.132   43.674   1.1224   0.4992   1.2300   0.6809   0.9973   0.7340  212.355   59.817  195.909   63.651 16.44528 87.34734 
1 1 1    6   15   41 o  769.851   42.753   15.877   1.6795   18.328   2.4058   13.546   2.3458  829.863   56.388  709.838   64.278 120.0250 85.50594 
1 1 1    6   15   43 o  284.715   39.974   2.0097   0.5319   1.5963   0.6334   2.9980   0.9795  240.351   52.711  329.078   60.109 -88.72711 79.94710 
1 1 1    6   15   45 o  482.413   35.694   5.9770   0.8472   5.4160   1.0368   7.1041   1.4695  451.808   44.635  513.019   55.714 -61.21100 71.38862 
1 1 1    6   15   47 o  244.598   40.818   1.7393   0.4902   1.8756   0.6053   1.4797   0.8354  261.398   46.757  227.798   66.918 33.60062 81.63499 
1 1 1    6   15   49 o  699.658   44.066   13.637   1.5758   11.941   2.2097   15.393   2.2478  652.159   65.903  747.157   58.515 -94.99805 88.13222 
1 1 1    6   15   51 f  417.497   37.663   4.7069   0.7684   4.4993   0.9425   5.1186   1.3272  408.074   44.922  426.920   60.465 -18.84601 75.32641 
1 1 1    6   15   53 o  440.990   40.156   5.4378   0.8547   5.3360   1.0429   5.6459   1.4916  441.604   45.934  440.376   65.881 1.227173 80.31294 
1 1 1    6   15   55 o  198.618   39.381   1.1839   0.3915   1.2349   0.4530   1.0334   0.7783  208.593   43.646  188.643   65.564 19.94995 78.76244 
1 1 1    6   15   57 o  113.818   31.687   0.2610   0.2640   0.3526   0.3069   0.0000   0.5178  117.333   41.148  110.303   48.198 7.029572 63.37369 
1 1 1    6   16    0 o  1565.64   48.685   63.437   3.9103   63.437   3.9103   0.0000   0.0000  1565.64   48.685  1565.64   48.685 0.000000 0.000000 
1 1 1    6   16    2 o  739.053   41.465   13.977   1.5034   14.946   2.5772   13.476   1.8509  757.028   66.217  721.078   49.926 35.95026 82.92910 
1 1 1    6   16    4 o  1198.19   38.540   36.104   2.2128   40.542   4.0193   34.174   2.6506  1247.38   62.674  1149.00   44.870 98.38062 77.08020 
1 1 1    6   16    6 o  553.675   30.574   7.9320   0.8694   7.9771   1.2601   7.8909   1.2011  555.099   44.154  552.251   42.302 2.847595 61.14739 
1 1 1    6   16    8 o  986.694   29.520   25.199   1.4965   24.113   2.1148   26.288   2.1180  965.263   42.615  1008.12   40.863 -42.86163 59.04097 
1 1 1    6   16   10 o  1228.17   34.323   38.822   2.0850   40.122   3.4832   38.096   2.6027  1242.74   54.517  1213.60   41.715 29.14307 68.64522 
1 1 1    6   16   12 o  307.292   41.208   2.5327   0.6272   2.4784   0.8879   2.5867   0.8860  303.800   58.976  310.784   57.568 -6.984039 82.41545 
1 1 1    6   16   14 o  1129.10   38.642   32.898   2.2432   32.898   2.2432   0.0000   0.0000  1129.10   38.642  ?   ?       ?      ? 
1 1 1    6   16   16 o  2229.08   27.767  128.027   3.1806  123.144   4.4237  133.253   4.5764  2185.10   39.377  2273.06   39.160 -87.96045 55.53402 
1 1 1    6   16   18 o  1495.78   39.641   57.814   3.0470   56.381   4.2317   59.356   4.3911  1476.60   55.742  1514.96   56.377 -38.35559 79.28102 
1 1 1    6   16   20 o  2779.94   34.019  198.152   4.5650  195.612   5.5522  203.451   8.0201  2754.62   39.204  2805.25   55.608 -50.63110 68.03857 
1 1 1    6   16   22 f  920.998   34.336   22.015   1.5268   22.231   1.8679   21.579   2.6503  928.581   39.127  913.414   56.437 15.16736 68.67300 
1 1 1    6   16   24 o  942.612   33.299   22.107   1.5397   20.332   1.8798   25.725   2.6839  887.746   41.187  997.477   52.335 -109.7313 66.59828 
1 1 1    6   16   26 o  2320.25   39.623  139.455   4.7254  136.191   6.6971  142.691   6.6684  2292.96   56.809  2347.53   55.251 -54.56543 79.24608 
1 1 1    6   16   28 o  740.009   40.054   14.138   1.5239   14.138   1.5239   0.0000   0.0000  740.009   40.054  ?   ?       ?      ? 
1 1 1    6   16   30 o  948.972   40.482   23.420   1.9659   26.322   2.8078   20.629   2.7535  1007.22   54.221  890.725   60.127 116.4941 80.96420 
1 1 1    6   16   32 o  1731.60   34.882   77.670   2.9338   78.435   5.0677   77.284   3.5980  1735.18   56.806  1728.03   40.499 7.153687 69.76478 
1 1 1    6   16   34 o  355.350   36.351   3.0186   0.6232   4.1192   1.1493   2.5603   0.7417  396.903   56.323  313.798   45.972 83.10544 72.70274 
1 1 1    6   16   36 o  380.956   38.848   3.9422   0.6879   3.6125   1.1877   4.1086   0.8439  364.418   65.815  397.494   41.292 -33.07593 77.69560 
1 1 1    6   16   38 f  765.701   41.603   15.292   1.6378   0.0000   0.0000   15.292   1.6378  ?   ?   765.701   41.603      ?      ? 
1 1 1    6   16   40 f  323.671   64.163   2.8963   1.0300   2.8963   1.0300   0.0000   0.0000  323.671   64.163  ?   ?       ?      ? 
1 1 1    6   16   42 o  629.031   43.530   10.701   1.3927   12.600   1.9901   8.8795   1.9496  686.240   56.405  571.822   66.315 114.4183 87.05916 
1 1 1    6   16   44 o  187.609   38.328   1.0086   0.4054   1.2646   0.5082   0.5608   0.6721  214.190   47.404  161.029   60.242 53.16064 76.65682 
1 1 1    6   16   46 o  629.074   35.638   9.8607   1.1016   8.1507   1.3380   13.458   1.9407  552.303   47.122  705.846   53.478 -153.5425 71.27679 
1 1 1    6   16   48 o  398.779   40.969   4.5471   0.7625   4.8760   0.9513   3.9562   1.2751  427.499   43.283  370.060   69.574 57.43890 81.93871 
1 1 1    6   16   50 o  294.224   69.105   2.5603   1.0275   2.5603   1.0275   0.0000   0.0000  294.224   69.105  ?   ?       ?      ? 
1 1 1    6   16   52 o  213.223   36.567   1.0570   0.3595   0.7700   0.4122   1.9698   0.7352  165.468   46.515  260.979   56.435 -95.51170 73.13414 
1 1 1    6   16   54 o  194.208   38.991   1.0011   0.3660   0.8823   0.4220   1.3621   0.7356  175.667   46.130  212.749   62.876 -37.08211 77.98280 
1 1 1    6   16   56 o  576.213   38.163   9.2735   0.9677   8.9703   1.1100   10.235   1.9760  573.617   37.637  578.808   66.401 -5.191772 76.32579 
1 1 1    6   17    1 o  608.978   32.410   9.9337   0.9712   8.2842   1.5401   11.023   1.2513  564.790   53.038  653.166   37.263 -88.37634 64.81938 
1 1 1    6   17    3 o  764.632   30.734   15.426   1.1807   16.926   1.5643   13.440   1.8000  809.329   37.596  719.934   48.630 89.39520 61.46766 
1 1 1    6   17    5 o  647.199   31.700   10.872   1.0515   10.480   1.5316   11.222   1.4462  635.925   46.846  658.472   42.720 -22.54694 63.39970 
1 1 1    6   17    7 o  1198.49   30.247   37.194   1.8622   36.457   2.6725   37.889   2.5961  1186.76   43.802  1210.22   41.725 -23.46423 60.49427 
1 1 1    6   17    9 o  1105.53   36.154   32.084   1.9414   30.482   3.3001   32.932   2.4008  1082.48   59.298  1128.57   41.377 -46.09070 72.30708 
1 1 1    6   17   11 o  292.849   41.546   2.3108   0.6032   2.1657   0.8674   2.4467   0.8395  283.319   61.327  302.379   56.064 -19.06009 83.09152 
1 1 1    6   17   13 o  607.030   34.198   9.3340   1.0251   10.209   1.7403   8.8689   1.2685  627.963   53.905  586.097   42.096 41.86615 68.39513 
1 1 1    6   17   15 o  1432.72   27.994   52.955   2.0601   53.293   2.8566   52.588   2.9738  1437.60   38.649  1427.85   40.509 9.749878 55.98856 
1 1 1    6   17   17 o  1529.23   34.669   59.545   2.5243   58.198   3.0262   62.625   4.5767  1502.46   39.177  1556.00   57.211 -53.54187 69.33881 
1 1 1    6   17   19 f  1591.41   34.533   66.398   2.6635   62.286   4.5343   68.565   3.2912  1551.97   56.827  1630.84   39.253 -78.87231 69.06578 
1 1 1    6   17   21 o  2393.01   27.847  147.654   3.4256  148.150   4.8090  147.143   4.8809  2397.16   39.020  2388.87   39.741 8.290039 55.69500 
1 1 1    6   17   23 o  1644.05   27.980   69.711   2.3624   65.449   3.3158   74.106   3.3667  1592.88   40.489  1695.23   38.628 -102.3428 55.95994 
1 1 1    6   17   25 o  384.547   29.060   3.8162   0.5744   3.8087   0.8036   3.8240   0.8214  384.177   40.684  384.916   41.506 -0.7385559 58.11973 
1 1 1    6   17   27 o  1458.52   34.582   54.895   2.4410   54.633   2.9825   55.425   4.2485  1454.81   39.875  1462.24   56.513 -7.432617 69.16425 
1 1 1    6   17   29 o  1094.19   33.745   29.895   1.8125   27.543   2.2153   34.655   3.1522  1032.32   41.739  1156.05   53.035 -123.7263 67.49010 
1 1 1    6   17   31 o  278.366   38.551   1.9529   0.5099   1.6596   0.6219   2.5545   0.8907  248.460   50.411  308.271   58.338 -59.81042 77.10113 
1 1 1    6   17   33 o  1022.27   36.040   27.762   1.7648   28.803   2.1612   25.678   3.0572  1054.22   39.875  990.326   60.046 63.89532 72.07970 
1 1 1    6   17   35 o  527.263   34.970   6.7595   0.8999   5.7871   1.0850   8.9028   1.6109  471.435   44.767  583.090   53.737 -111.6546 69.94073 
1 1 1    6   17   37 o  616.208   37.241   10.286   1.0995   10.929   1.3579   9.0608   1.8736  647.746   40.775  584.669   62.329 63.07678 74.48126 
1 1 1    6   17   39 o  1141.37   59.135   34.649   3.4701   34.649   3.4701   0.0000   0.0000  1141.37   59.135  ?   ?       ?      ? 
1 1 1    6   17   41 o  476.969   43.542   6.1928   1.0471   4.8907   1.4888   7.4674   1.4730  424.319   68.246  529.620   54.095 -105.3015 87.08477 
1 1 1    6   17   43 o  565.788   43.053   8.6999   1.2482   9.3144   1.7465   8.0583   1.7846  587.710   57.800  543.865   63.824 43.84509 86.10651 
1 1 1    6   17   45 o  483.680   43.548   6.4036   1.0828   6.4458   1.5457   6.3630   1.5172  485.052   61.983  482.308   61.186 2.743958 87.09543 
1 1 1    6   17   47 o  250.536   45.769   1.7802   0.6107   2.4361   0.8926   1.2030   0.8374  292.720   61.277  208.351   68.002 84.36893 91.53743 
1 1 1    6   17   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   17   51 o  233.925   48.372   1.6316   0.6174   1.6402   0.8373   1.6214   0.9139  234.965   66.384  232.885   70.374 2.079803 96.74358 
1 1 1    6   17   53 o  371.001   51.330   4.2002   0.9565   3.3988   1.3311   5.0560   1.3755  325.702   80.057  416.301   64.264 -90.59897 102.6598 
1 1 1    6   17   55 o  298.417   43.686   2.8578   0.6267   3.2725   0.7788   2.0960   1.0556  343.736   44.069  253.097   75.444 90.63864 87.37252 
1 1 1    6   18    0 f  3348.48   41.656  293.673   6.7975  279.494   11.466  301.357   8.4408  3281.32   68.032  3415.63   48.088 -0.000000 0.000000 
1 1 1    6   18    2 o  1520.82   27.771   59.857   2.1689   57.866   3.1078   61.748   3.0282  1495.89   40.410  1545.75   38.105 -49.86279 55.54221 
1 1 1    6   18    4 o  733.326   29.627   13.897   1.1059   13.814   1.4623   14.009   1.6901  731.071   38.906  735.580   44.691 -4.508728 59.25363 
1 1 1    6   18    6 o  775.193   39.634   15.891   1.4483   14.907   2.5939   16.337   1.7458  755.702   66.764  794.683   42.730 -38.98114 79.26708 
1 1 1    6   18    8 o  501.333   40.377   6.4851   1.0357   6.9457   1.5599   6.1220   1.3851  517.005   58.687  485.662   55.472 31.34283 80.75458 
1 1 1    6   18   10 o  1178.68   33.500   35.265   1.9704   33.307   2.4730   38.669   3.2608  1135.44   42.363  1221.92   51.906 -86.47131 66.99899 
1 1 1    6   18   12 o  1397.16   28.730   50.405   2.0612   51.103   2.8577   49.648   2.9759  1407.40   39.494  1386.92   41.735 20.48010 57.45970 
1 1 1    6   18   14 o  1781.82   28.295   81.853   2.5890   81.342   3.5708   82.421   3.7594  1776.08   39.106  1787.56   40.906 -11.48389 56.59081 
1 1 1    6   18   16 o  1405.46   36.168   51.631   2.3709   52.493   2.8261   49.582   4.3564  1427.00   38.521  1383.93   61.227 43.06799 72.33687 
1 1 1    6   18   18 o  1173.82   34.359   35.775   1.9697   34.922   3.3371   36.231   2.4401  1162.20   55.850  1185.43   40.036 -23.22559 68.71759 
1 1 1    6   18   20 o  1028.91   28.055   27.281   1.4818   25.242   2.0685   29.430   2.1237  989.366   40.666  1068.45   38.660 -79.08875 56.10999 
1 1 1    6   18   22 o  1526.47   33.965   59.661   2.5361   61.891   4.3476   58.511   3.1224  1546.82   54.668  1506.12   40.323 40.69958 67.93083 
1 1 1    6   18   24 o  530.409   28.430   7.2627   0.7745   6.8748   1.0932   7.6536   1.0975  516.133   41.197  544.685   39.189 -28.55231 56.85927 
1 1 1    6   18   26 o  1552.02   39.985   62.426   3.1899   60.686   4.4874   64.204   4.5353  1530.05   57.045  1574.00   56.044 -43.95593 79.96957 
1 1 1    6   18   28 f  1504.67   28.279   58.497   2.1868   56.507   3.0892   60.495   3.0959  1478.90   40.629  1530.44   39.346 -51.53918 56.55853 
1 1 1    6   18   30 o  913.260   35.408   21.940   1.5580   20.764   2.6882   22.535   1.9118  893.010   58.550  933.511   39.834 -40.50165 70.81577 
1 1 1    6   18   32 f  641.924   29.310   10.693   0.9654   11.488   1.3683   9.9046   1.3624  665.908   39.965  617.940   42.884 47.96844 58.61939 
1 1 1    6   18   34 o  403.232   30.782   4.2939   0.6218   5.4119   0.8819   3.1883   0.8770  456.851   37.547  349.613   48.789 107.2378 61.56399 
1 1 1    6   18   36 o  634.631   35.136   10.355   1.0885   9.9527   1.3321   11.165   1.8882  618.094   41.919  651.168   56.401 -33.07422 70.27270 
1 1 1    6   18   38 o  355.199   63.990   3.4596   1.1256   3.4596   1.1256   0.0000   0.0000  355.199   63.990  ?   ?       ?      ? 
1 1 1    6   18   40 o  572.662   42.654   8.8047   1.2518   8.0681   1.7769   9.5305   1.7639  547.739   63.098  597.585   57.412 -49.84583 85.30862 
1 1 1    6   18   42 o  290.692   37.478   2.0823   0.5235   1.6529   0.6307   3.0332   0.9386  244.754   51.741  336.629   54.234 -91.87569 74.95593 
1 1 1    6   18   44 o  566.319   37.998   8.7337   1.0413   8.9499   1.2854   8.3211   1.7761  581.253   43.013  551.384   62.652 29.86847 75.99592 
1 1 1    6   18   46 o  495.926   39.002   6.8144   0.9286   7.0998   1.1445   6.2646   1.5886  516.637   43.089  475.214   65.022 41.42337 78.00340 
1 1 1    6   18   48 o  157.253   55.704   0.6137   0.5636   0.6137   0.5636   0.0000   0.0000  157.253   55.704  ?   ?       ?      ? 
1 1 1    6   18   50 o  394.778   47.714   4.5107   0.9468   4.8655   1.3640   4.1807   1.3153  413.794   64.114  375.762   70.680 38.03271 95.42716 
1 1 1    6   18   52 o  137.775   37.677   0.3267   0.3981   0.0000   0.5574   0.6670   0.5688  116.230   50.405  159.321   56.013 -43.09177 75.35332 
1 1 1    6   18   54 o  297.450   48.394   2.7236   0.7642   3.8267   1.1095   1.7279   1.0542  362.558   59.525  232.342   76.321 130.2160 96.78889 
1 1 1    6   18   56 o  339.742   39.699   3.0850   0.6439   2.3975   0.7723   4.6521   1.1660  282.974   55.069  396.509   57.197 -113.5353 79.39840 
1 1 1    6   19    1 o  758.388   34.011   14.890   1.3243   16.001   1.8984   13.837   1.8482  786.059   46.975  730.717   49.196 55.34180 68.02116 
1 1 1    6   19    3 o  558.881   33.822   8.0863   0.9701   8.1443   1.4173   8.0353   1.3306  560.646   49.169  557.117   46.455 3.529663 67.64307 
1 1 1    6   19    5 o  759.948   43.594   14.877   1.6889   16.093   2.5967   13.986   2.2235  786.222   64.240  733.675   58.948 52.54626 87.18713 
1 1 1    6   19    7 o  988.612   35.955   25.733   1.7787   27.456   2.3145   23.247   2.7800  1030.66   43.678  946.566   57.124 84.09326 71.90917 
1 1 1    6   19    9 o  767.294   34.764   15.291   1.3328   15.511   1.7026   14.942   2.1419  775.022   42.729  759.567   54.848 15.45502 69.52791 
1 1 1    6   19   11 o  592.208   29.469   9.0445   0.8962   8.4553   1.2517   9.6644   1.2838  572.381   42.535  612.036   40.799 -39.65497 58.93891 
1 1 1    6   19   13 o  727.909   28.800   13.666   1.0770   13.671   1.4938   13.660   1.5541  728.104   39.905  727.714   41.538 0.3895264 57.60049 
1 1 1    6   19   15 o  1089.67   35.590   29.754   1.8219   28.502   2.1525   32.916   3.4214  1051.42   39.819  1127.92   59.000 -76.49548 71.17986 
1 1 1    6   19   17 o  2631.63   33.915  176.909   4.4022  185.375   7.4274  172.324   5.4658  2678.18   53.942  2585.08   41.125 93.09644 67.83057 
1 1 1    6   19   19 o  1797.31   28.055   83.197   2.5909   79.762   3.5977   86.898   3.7342  1758.81   39.786  1835.82   39.564 -77.01709 56.10947 
1 1 1    6   19   21 o  2534.96   28.058  165.731   3.6560  165.645   5.1151  165.821   5.2274  2534.37   39.257  2535.54   40.100 -1.175293 56.11684 
1 1 1    6   19   23 o  944.244   28.151   23.000   1.3665   22.813   1.9172   23.194   1.9483  940.350   39.655  948.138   39.967 -7.788086 56.30195 
1 1 1    6   19   25 o  786.519   39.823   16.033   1.6102   16.228   2.2706   15.836   2.2837  791.388   55.806  781.650   56.827 9.737976 79.64652 
1 1 1    6   19   27 o  1919.39   28.289   95.168   2.7914   96.172   3.9396   94.157   3.9556  1929.62   39.711  1909.16   40.299 20.45618 56.57740 
1 1 1    6   19   29 o  300.643   43.140   2.4598   0.6838   4.2216   0.9887   0.8445   0.9467  403.590   47.651  197.697   71.927 205.8930 86.27942 
1 1 1    6   19   31 o  459.357   29.487   5.4684   0.6963   5.3470   0.9804   5.5920   0.9890  454.186   41.986  464.527   41.413 -10.34100 58.97339 
1 1 1    6   19   33 o  886.448   28.920   20.405   1.3174   19.686   1.8609   21.128   1.8654  870.644   41.573  902.252   40.213 -31.60815 57.83944 
1 1 1    6   19   35 o  989.860   29.086   25.522   1.4770   27.596   2.0982   23.485   2.0796  1030.19   39.616  949.532   42.599 80.65637 58.17269 
1 1 1    6   19   37 o  671.843   41.672   11.980   1.4373   12.642   2.0265   11.310   2.0389  691.196   57.027  652.491   60.780 38.70483 83.34434 
1 1 1    6   19   39 o  503.833   36.760   6.5162   0.8998   6.1224   1.0915   7.3519   1.5899  482.879   43.964  524.786   58.928 -41.90625 73.52090 
1 1 1    6   19   41 o  935.877   30.125   23.141   1.4327   18.907   1.9988   27.614   2.0545  845.696   45.972  1026.06   38.946 -180.3624 60.25089 
1 1 1    6   19   43 f  449.469   30.578   5.3489   0.7064   5.2143   1.0011   5.4824   0.9969  443.640   43.891  455.298   42.586 -11.65814 61.15515 
1 1 1    6   19   45 o  148.822   32.885   0.5906   0.2791   0.5913   0.3871   0.5899   0.4030  148.638   45.971  149.005   47.037 -0.3673248 65.77099 
1 1 1    6   19   47 o  558.149   44.741   8.6701   1.2782   9.6991   1.8311   7.6923   1.7850  592.531   60.109  523.767   66.288 68.76428 89.48280 
1 1 1    6   19   49 f  432.277   44.853   5.2766   0.9936   5.7789   1.4159   4.7894   1.3947  454.220   60.633  410.335   66.111 43.88547 89.70547 
1 1 1    6   19   51 o  164.791   38.229   0.7494   0.3669   0.7956   0.4540   0.6622   0.6233  168.017   49.321  161.565   58.424 6.451614 76.45832 
1 1 1    6   19   53 f  329.130   46.593   3.4353   0.7139   3.7646   0.8676   2.7444   1.2566  369.335   45.689  288.924   81.216 80.41086 93.18555 
1 1 1    6   19   55 o  382.918   48.362   5.0352   0.8338   6.0262   1.0344   3.1970   1.4087  465.756   43.198  300.079   86.541 165.6776 96.72355 
1 1 1    6   20    0 o  194.102   58.215   1.3844   0.5952   1.5423   0.8338   1.2204   0.8499  208.585   81.411  179.619   83.236 -0.000000 0.000000 
1 1 1    6   20    2 o  908.808   40.169   21.314   1.8221   20.963   2.3059   21.897   2.9730  899.863   49.842  917.753   63.008 -17.88953 80.33779 
1 1 1    6   20    4 o  1011.52   34.756   25.698   1.6872   24.410   2.0248   28.626   3.0517  972.303   40.506  1050.74   56.490 -78.43311 69.51143 
1 1 1    6   20    6 o  831.689   36.358   17.788   1.5311   17.289   1.9864   18.519   2.4031  817.821   47.243  845.558   55.280 -27.73676 72.71687 
1 1 1    6   20    8 o  1693.71   30.830   74.106   2.6815   73.029   3.8709   75.100   3.7181  1681.67   44.771  1705.76   42.397 -24.08423 61.66048 
1 1 1    6   20   10 o  831.425   30.164   17.849   1.2880   18.789   1.8213   16.909   1.8218  853.419   41.509  809.431   43.777 43.98822 60.32781 
1 1 1    6   20   12 f  523.549   29.614   7.0685   0.7969   7.0073   1.1119   7.1332   1.1427  521.236   41.490  525.863   42.266 -4.626953 59.22726 
1 1 1    6   20   14 o  708.666   39.174   13.357   1.2601   13.814   1.4840   12.176   2.3854  732.013   39.432  685.319   67.702 46.69360 78.34814 
1 1 1    6   20   16 o  1756.10   34.251   79.017   2.9708   81.782   4.9826   77.492   3.7005  1778.74   54.484  1733.46   41.521 45.27930 68.50198 
1 1 1    6   20   18 o  1598.22   28.235   65.842   2.3183   65.294   3.2104   66.438   3.3513  1591.36   39.239  1605.08   40.611 -13.71387 56.47065 
1 1 1    6   20   20 o  1421.42   28.189   52.082   2.0593   51.055   2.8662   53.178   2.9607  1406.97   39.623  1435.87   40.106 -28.90210 56.37846 
1 1 1    6   20   22 o  685.029   28.537   12.153   1.0006   13.322   1.4053   10.952   1.4251  718.698   38.033  651.361   42.554 67.33661 57.07341 
1 1 1    6   20   24 o  617.077   40.147   9.8784   1.2708   10.707   1.8055   9.0653   1.7889  642.921   54.623  591.232   58.851 51.68964 80.29376 
1 1 1    6   20   26 o  649.072   28.795   10.920   0.9570   11.958   1.3460   9.8595   1.3608  680.533   38.470  617.610   42.857 62.92242 57.59082 
1 1 1    6   20   28 o  312.924   45.169   2.6867   0.7092   3.3585   0.9690   1.9119   1.0407  359.720   52.396  266.128   73.592 93.59256 90.33875 
1 1 1    6   20   30 o  1215.02   28.562   38.236   1.7840   38.612   2.5159   37.856   2.5301  1221.10   40.076  1208.94   40.706 12.15698 57.12309 
1 1 1    6   20   32 o  362.103   30.379   3.4127   0.5642   3.6717   0.7958   3.1510   0.8000  376.099   41.155  348.107   44.697 27.99225 60.75886 
1 1 1    6   20   34 o  1148.90   28.993   34.360   1.7092   31.734   2.4056   37.038   2.4290  1104.07   42.380  1193.73   39.578 -89.65955 57.98653 
1 1 1    6   20   36 o  343.982   41.595   3.4726   0.6525   2.3935   1.0940   4.0683   0.8128  292.884   72.932  395.080   40.018 -102.1964 83.18942 
1 1 1    6   20   38 o  762.590   29.870   15.262   1.1662   13.604   1.6418   16.951   1.6568  719.965   44.355  805.215   40.020 -85.25012 59.74080 
1 1 1    6   20   40 o  544.129   39.109   8.2829   1.0024   6.8620   1.7218   9.0114   1.2328  502.474   66.650  585.783   40.935 -83.30914 78.21729 
1 1 1    6   20   42 o  744.339   30.037   14.650   1.1473   15.695   1.6256   13.613   1.6195  771.498   40.984  717.180   43.922 54.31897 60.07365 
1 1 1    6   20   44 o  362.503   31.004   3.4884   0.5754   3.9334   0.8299   3.0765   0.7985  385.255   41.900  339.751   45.711 45.50439 62.00885 
1 1 1    6   20   46 o  479.188   30.817   6.1336   0.7571   5.6058   1.0675   6.6678   1.0740  457.691   45.365  500.685   41.723 -42.99384 61.63448 
1 1 1    6   20   48 o  671.922   43.428   12.115   1.5002   12.115   1.5002   0.0000   0.0000  671.922   43.428  ?   ?       ?      ? 
1 1 1    6   20   50 o  389.955   42.676   4.4723   0.7655   4.7405   0.9414   3.9488   1.3152  418.438   43.762  361.472   73.280 56.96658 85.35247 
1 1 1    6   20   52 o  219.465   39.747   1.5070   0.4508   1.7467   0.5513   1.0228   0.7835  249.432   44.625  189.498   65.786 59.93375 79.49339 
1 1 1    6   20   54 o  205.221   41.644   1.1637   0.4526   0.8464   0.5595   1.7649   0.7701  170.891   55.575  239.551   62.034 -68.65956 83.28778 
1 1 1    6   21    1 o  1367.56   31.521   48.723   2.1689   50.520   2.8229   46.134   3.3886  1399.33   39.238  1335.79   49.342 63.53760 63.04160 
1 1 1    6   21    3 o  1772.41   27.863   80.983   2.5379   83.172   3.6548   78.945   3.5269  1795.49   39.592  1749.33   39.215 46.15552 55.72570 
1 1 1    6   21    5 o  986.241   30.011   25.223   1.5036   25.946   1.9956   24.274   2.2869  1002.99   38.699  969.487   45.881 33.50793 60.02217 
1 1 1    6   21    7 o  2505.56   31.585  161.905   4.0645  165.040   5.9069  159.085   5.6014  2528.40   45.441  2482.73   43.883 45.67163 63.17078 
1 1 1    6   21    9 o  706.440   30.803   12.857   1.1170   13.923   1.6115   11.871   1.5496  734.633   42.667  678.248   44.439 56.38513 61.60578 
1 1 1    6   21   11 o  1162.51   29.893   34.868   1.7852   33.122   2.5163   36.637   2.5331  1133.12   43.193  1191.90   41.338 -58.77820 59.78656 
1 1 1    6   21   13 o  2705.25   38.208  186.585   4.7917  183.311   5.6399  195.081   9.0855  2666.22   41.144  2744.29   64.394 -78.06665 76.41645 
1 1 1    6   21   15 o  1188.31   43.044   36.723   2.6006   37.812   3.4612   35.311   3.9409  1209.31   55.670  1167.32   65.666 41.99170 86.08846 
1 1 1    6   21   17 o  895.800   28.548   20.627   1.3121   18.908   1.8032   22.561   1.9128  856.222   40.963  935.378   39.775 -79.15533 57.09638 
1 1 1    6   21   19 f  1556.51   28.508   62.622   2.2763   65.194   3.1605   59.851   3.2813  1590.00   38.663  1523.03   41.905 66.96509 57.01606 
1 1 1    6   21   21 o  1817.95   28.346   85.237   2.6485   83.942   3.6885   86.616   3.8052  1803.75   39.775  1832.15   40.397 -28.40222 56.69167 
1 1 1    6   21   23 o  510.261   40.391   6.7585   1.0577   6.3233   1.5007   7.1882   1.4911  493.763   59.115  526.759   55.057 -32.99661 80.78280 
1 1 1    6   21   25 o  2044.02   28.382  107.870   2.9785  100.249   4.1621  115.869   4.2642  1969.82   41.098  2118.21   39.156 -148.3945 56.76490 
1 1 1    6   21   27 o  597.812   35.843   9.2662   1.0253   9.2622   1.2413   9.2747   1.8190  598.577   40.337  597.047   59.261 1.529785 71.68591 
1 1 1    6   21   29 o  619.553   29.136   9.9427   0.9280   10.054   1.3105   9.8312   1.3143  623.051   40.911  616.055   41.495 6.996094 58.27135 
1 1 1    6   21   31 o  981.646   28.935   25.005   1.4601   24.375   2.0582   25.643   2.0716  969.112   41.308  994.179   40.529 -25.06708 57.87047 
1 1 1    6   21   33 o  1059.97   28.884   29.210   1.5737   28.383   2.2135   30.056   2.2379  1044.69   41.211  1075.25   40.481 -30.56165 57.76747 
1 1 1    6   21   35 f  811.621   36.686   17.579   1.4339   16.529   2.4672   18.115   1.7621  789.697   60.767  833.544   41.119 -43.84778 73.37120 
1 1 1    6   21   37 o  799.783   35.315   16.271   1.3799   15.064   1.6795   18.778   2.4208  758.317   43.079  841.249   55.971 -82.93213 70.62989 
1 1 1    6   21   39 o  653.716   43.433   11.512   1.4575   12.191   2.0576   10.828   2.0648  674.046   59.374  633.385   63.407 40.66058 86.86656 
1 1 1    6   21   41 o  683.031   30.209   12.317   1.0588   11.350   1.4829   13.323   1.5123  655.115   44.026  710.946   41.376 -55.83032 60.41730 
1 1 1    6   21   43 o  150.420   34.545   0.5907   0.3047   0.5941   0.4560   0.5880   0.4096  151.623   50.214  149.217   47.455 2.406372 69.09016 
1 1 1    6   21   45 o  369.478   31.883   3.6600   0.6005   3.1131   0.8444   4.2198   0.8543  340.430   48.244  398.526   41.695 -58.09589 63.76502 
1 1 1    6   21   47 o  756.912   44.405   16.039   1.7234   14.743   2.4313   17.348   2.4432  723.597   65.354  790.226   60.135 -66.62872 88.81084 
1 1 1    6   21   49 o  223.917   45.208   1.4720   0.5486   1.3072   0.7754   1.6372   0.7763  211.840   64.991  235.994   62.860 -24.15395 90.41692 
1 1 1    6   21   51 o  183.039   40.485   0.9357   0.4012   0.8996   0.4816   1.0176   0.7252  177.327   50.433  188.751   63.345 -11.42372 80.96949 
1 1 1    6   21   53 o  424.497   40.861   4.5890   0.8158   3.2628   0.9732   7.7252   1.4964  331.366   59.300  517.629   56.231 -186.2635 81.72120 
1 1 1    6   22    0 o  444.990   57.112   5.5838   1.1773   5.9288   1.7061   5.2702   1.6267  459.983   79.186  429.996   82.319 0.000000 0.000000 
1 1 1    6   22    2 o  777.747   28.280   15.597   1.1306   15.730   1.6188   15.471   1.5797  780.946   40.317  774.547   39.669 6.399231 56.56072 
1 1 1    6   22    4 o  395.187   28.423   4.0212   0.5770   4.2467   0.8343   3.8145   0.7988  405.793   39.991  384.581   40.401 21.21219 56.84634 
1 1 1    6   22    6 o  1540.71   32.726   61.647   2.5765   55.895   3.7288   66.902   3.5641  1471.08   49.302  1610.33   43.049 -139.2458 65.45140 
1 1 1    6   22    8 f  332.278   32.817   2.8719   0.5560   2.5105   0.7995   3.2103   0.7737  311.776   49.879  352.780   42.660 -41.00418 65.63373 
1 1 1    6   22   10 o  860.396   30.500   19.087   1.3488   19.575   1.9325   18.622   1.8835  871.128   43.148  849.663   43.117 21.46466 60.99903 
1 1 1    6   22   12 o  337.649   44.828   3.1088   0.6665   3.2196   0.7778   2.8023   1.2933  353.302   42.820  321.995   78.770 31.30670 89.65699 
1 1 1    6   22   14 o  1135.13   44.988   33.946   2.5711   36.985   3.4110   29.949   3.9126  1195.99   55.473  1074.27   70.841 121.7222 89.97616 
1 1 1    6   22   16 o  1152.48   28.964   34.283   1.7139   34.793   2.3736   33.727   2.4772  1161.56   39.747  1143.40   42.140 18.16113 57.92730 
1 1 1    6   22   18 o  432.209   29.489   4.8034   0.6503   4.0301   0.8921   5.6802   0.9499  395.131   43.914  469.288   39.370 -74.15701 58.97871 
1 1 1    6   22   20 o  1767.53   28.584   80.727   2.5933   83.101   3.6022   78.173   3.7366  1794.77   39.038  1740.29   41.763 54.47473 57.16702 
1 1 1    6   22   22 o  527.041   40.364   7.2112   1.0918   6.7818   1.5528   7.6312   1.5355  511.343   59.066  542.740   55.030 -31.39630 80.72836 
1 1 1    6   22   24 o  879.433   28.869   20.053   1.2995   22.032   1.8273   18.029   1.8485  923.728   38.476  835.138   43.051 88.58997 57.73883 
1 1 1    6   22   26 o  1758.66   36.671   82.724   3.0346   86.871   3.6757   73.848   5.3775  1833.53   38.993  1683.80   62.119 149.7322 73.34275 
1 1 1    6   22   28 o  1614.96   34.213   65.793   2.7187   74.361   4.6814   61.433   3.3396  1690.03   53.878  1539.88   42.183 150.1555 68.42682 
1 1 1    6   22   30 o  1057.52   28.842   29.014   1.5678   29.052   2.1962   28.974   2.2388  1058.34   40.363  1056.71   41.209 1.631226 57.68302 
1 1 1    6   22   32 o  1144.19   28.926   34.031   1.7015   33.783   2.3959   34.284   2.4169  1139.99   40.879  1148.39   40.935 -8.400269 57.85158 
1 1 1    6   22   34 o  1046.46   29.148   28.544   1.5679   27.974   2.2169   29.115   2.2180  1035.86   41.626  1057.06   40.812 -21.19031 58.29543 
1 1 1    6   22   36 f  815.997   35.730   17.147   1.4170   16.353   1.7240   18.801   2.4880  790.536   42.417  841.458   57.510 -50.92218 71.46025 
1 1 1    6   22   38 o  401.039   46.128   4.4074   0.9223   5.0773   1.3206   3.7694   1.2888  435.392   58.996  366.686   70.926 68.70569 92.25523 
1 1 1    6   22   40 o  300.565   33.405   2.4420   0.5002   2.7449   0.7017   2.1291   0.7132  322.648   42.299  278.483   51.715 44.16568 66.81087 
1 1 1    6   22   42 o  710.248   30.372   13.379   1.1070   12.435   1.5628   14.330   1.5682  684.344   44.418  736.153   41.434 -51.80804 60.74302 
1 1 1    6   22   44 o  270.419   33.569   2.0315   0.4458   2.5327   0.6233   1.5065   0.6380  309.450   39.178  231.388   54.522 78.06189 67.13857 
1 1 1    6   22   46 f  455.302   44.940   5.7930   1.0516   5.7658   1.5049   5.8189   1.4700  453.704   64.517  456.901   62.577 -3.197418 89.87972 
1 1 1    6   22   48 o  311.279   47.641   2.7355   0.7701   1.6246   1.0169   4.2295   1.1793  233.782   74.819  388.776   58.998 -154.9943 95.28211 
1 1 1    6   22   50 o  456.800   32.059   5.6891   0.7507   6.3012   1.0837   5.1245   1.0408  481.278   43.799  432.323   46.828 48.95538 64.11854 
1 1 1    6   22   52 f  278.642   44.372   2.3155   0.5932   2.2495   0.7261   2.4479   1.0287  278.651   52.613  278.634   71.465 0.1724243E-01 88.74313 
1 1 1    6   22   54 o  391.808   44.043   4.6342   0.8102   4.5990   0.9960   4.7030   1.3930  402.643   48.115  380.973   73.785 21.66992 88.08658 
1 1 1    6   23    1 o  2156.21   31.032  118.128   3.3955  109.362   4.3995  131.042   5.3400  2059.19   41.556  2253.22   46.097 -194.0247 62.06338 
1 1 1    6   23    3 o  1045.87   28.358   28.328   1.5179   25.770   2.1769   30.749   2.1177  999.531   42.361  1092.22   37.713 -92.68542 56.71614 
1 1 1    6   23    5 o  1152.32   30.476   34.369   1.7856   35.085   2.3702   33.430   2.7151  1166.55   39.520  1138.08   46.403 28.46838 60.95125 
1 1 1    6   23    7 o  1631.75   32.350   68.847   2.7067   66.507   3.9325   70.953   3.7313  1605.08   47.654  1658.41   43.762 -53.33069 64.69930 
1 1 1    6   23    9 f  1270.53   31.301   41.552   2.0417   44.775   2.9609   38.631   2.8191  1317.44   43.714  1223.61   44.812 93.82715 62.60228 
1 1 1    6   23   11 o  1458.86   40.907   55.255   2.7663   55.525   3.2739   54.581   5.1722  1467.09   43.405  1450.62   69.351 16.46973 81.81445 
1 1 1    6   23   13 o  1439.58   67.844   53.748   5.0213   0.0000   0.0000   53.748   5.0213  ?   ?   1439.58   67.844      ?      ? 
1 1 1    6   23   15 o  315.419   31.307   2.5660   0.5054   2.2473   0.7018   2.9094   0.7284  295.028   46.267  335.811   42.190 -40.78284 62.61498 
1 1 1    6   23   17 o  1513.30   29.014   59.066   2.2557   58.593   3.1249   59.581   3.2594  1507.06   40.330  1519.54   41.721 -12.47510 58.02768 
1 1 1    6   23   19 o  1326.81   28.830   45.473   1.9635   46.223   2.7153   44.652   2.8427  1338.45   39.459  1315.18   42.042 23.27051 57.65907 
1 1 1    6   23   21 o  1232.00   39.863   39.339   2.5248   39.405   3.5922   39.275   3.5494  1232.97   56.668  1231.03   56.082 1.934204 79.72682 
1 1 1    6   23   23 o  1200.42   28.699   37.222   1.7701   37.085   2.4588   37.369   2.5504  1198.23   39.913  1202.61   41.248 -4.380493 57.39774 
1 1 1    6   23   25 o  1646.53   28.597   70.064   2.4202   69.220   3.3788   70.953   3.4684  1636.41   40.161  1656.64   40.722 -20.22766 57.19464 
1 1 1    6   23   27 o  1126.95   35.301   33.281   1.9369   32.119   3.2902   33.897   2.3961  1109.74   57.668  1144.16   40.733 -34.42358 70.60241 
1 1 1    6   23   29 o  869.779   29.030   19.634   1.2975   19.954   1.8167   19.301   1.8538  877.159   40.285  862.398   41.811 14.76117 58.06047 
1 1 1    6   23   31 f  619.317   29.178   9.9677   0.9289   9.6950   1.3013   10.251   1.3262  610.654   41.450  627.980   41.078 -17.32544 58.35633 
1 1 1    6   23   33 o  895.367   29.463   20.906   1.3556   21.399   1.9025   20.397   1.9319  906.337   40.829  884.396   42.489 21.94012 58.92609 
1 1 1    6   23   35 o  1224.12   41.618   39.838   2.6160   42.163   3.7075   37.533   3.6918  1260.82   57.196  1187.42   60.473 73.39844 83.23659 
1 1 1    6   23   37 o  485.175   38.953   6.3934   0.8888   6.6058   1.0729   5.9287   1.5868  501.869   41.582  468.480   65.880 33.38870 77.90539 
1 1 1    6   23   39 o  663.401   30.191   11.606   1.0291   12.024   1.4534   11.186   1.4575  675.712   41.836  651.090   43.540 24.62164 60.38212 
1 1 1    6   23   41 o  923.946   29.978   22.578   1.4236   21.868   1.9929   23.318   2.0344  908.958   42.645  938.934   42.144 -29.97552 59.95542 
1 1 1    6   23   43 o  138.515   31.579   0.4817   0.2759   0.7358   0.3725   0.1727   0.4107  163.474   43.538  113.556   45.753 49.91800 63.15736 
1 1 1    6   23   45 o  307.484   43.014   2.7365   0.6335   2.4022   1.0626   2.9208   0.7890  285.264   72.346  329.704   46.548 -44.43945 86.02717 
1 1 1    6   23   47 o  289.995   42.219   2.5382   0.5823   2.8426   0.7161   1.9440   1.0005  325.320   42.813  254.669   72.778 70.65031 84.43710 
1 1 1    6   23   49 o  188.030   36.593   1.0049   0.3689   1.2207   0.5322   0.8052   0.5120  206.535   50.530  169.525   52.943 37.00999 73.18655 
1 1 1    6   23   51 o  183.273   36.618   0.9596   0.3708   0.6631   0.5144   1.2803   0.5350  156.218   53.349  210.329   50.173 -54.11107 73.23547 
1 1 1    6   23   53 o  265.526   44.166   1.9540   0.5540   1.5816   0.6563   2.8774   1.0335  229.153   56.144  301.900   68.193 -72.74664 88.33123 
1 1 1    6   24    0 o  943.697   50.402   23.341   2.4069   21.234   3.3294   25.649   3.4837  897.857   73.247  989.537   69.255 -0.000000 0.000000 
1 1 1    6   24    2 o  2561.20   28.340  169.171   3.7306  167.040   5.3206  171.232   5.2323  2545.22   40.660  2577.19   39.489 -31.96484 56.68013 
1 1 1    6   24    4 o  1864.20   28.131   89.725   2.6918   86.639   3.8744   92.604   3.7427  1832.98   41.113  1895.42   38.407 -62.42969 56.26147 
1 1 1    6   24    6 o  1096.57   30.183   30.873   1.6888   29.914   2.2393   32.137   2.5717  1077.11   40.437  1116.03   44.820 -38.91382 60.36551 
1 1 1    6   24    8 o  3219.40   32.010  267.620   5.2900  264.283   7.6718  270.646   7.3040  3199.88   46.633  3238.92   43.862 -39.04810 64.02026 
1 1 1    6   24   10 o  596.187   47.856   10.185   1.2531   11.411   1.4918   7.2471   2.3095  665.058   43.630  527.315   85.189 137.7424 95.71140 
1 1 1    6   24   12 o  1890.98   36.940   92.919   3.3964   90.863   5.8092   93.987   4.1864  1873.30   60.317  1908.67   42.662 -35.36157 73.87975 
1 1 1    6   24   14 o  1455.61   29.883   54.649   2.2358   53.180   3.1284   56.183   3.1965  1435.60   42.386  1475.61   42.134 -40.00671 59.76502 
1 1 1    6   24   16 o  586.332   30.180   8.8942   0.9076   9.3936   1.2670   8.3679   1.3008  603.376   40.843  569.288   44.443 34.08820 60.36031 
1 1 1    6   24   18 o  1142.54   35.880   33.438   2.0041   34.828   3.4424   32.726   2.4650  1159.27   57.757  1125.81   42.587 33.45703 71.76044 
1 1 1    6   24   20 o  325.469   43.707   2.8279   0.7119   2.4381   1.0286   3.1862   0.9862  300.270   68.184  350.669   54.700 -50.39969 87.41392 
1 1 1    6   24   22 o  1560.78   28.787   62.911   2.3087   62.202   3.2034   63.676   3.3302  1551.75   40.153  1569.81   41.262 -18.06079 57.57433 
1 1 1    6   24   24 o  1481.41   28.749   56.659   2.1878   53.668   3.0339   59.901   3.1578  1440.67   40.961  1522.16   40.351 -81.49121 57.49751 
1 1 1    6   24   26 o  894.328   41.525   20.869   1.9056   20.818   2.6132   20.926   2.7847  893.587   56.882  895.068   60.514 -1.480835 83.05083 
1 1 1    6   24   28 f  685.392   29.312   12.197   1.0322   12.559   1.4498   11.824   1.4699  695.858   40.524  674.926   42.362 20.93195 58.62381 
1 1 1    6   24   30 o  1744.43   28.978   79.060   2.5984   77.239   3.6373   80.958   3.7133  1723.90   41.040  1764.97   40.921 -41.06689 57.95512 
1 1 1    6   24   32 o  235.211   33.246   1.4898   0.3923   1.6340   0.5337   1.3203   0.5787  250.422   41.453  220.000   51.988 30.42285 66.49113 
1 1 1    6   24   34 o  1035.18   41.702   28.462   2.2193   28.661   3.1274   28.261   3.1498  1039.06   58.543  1031.31   59.406 7.749023 83.40456 
1 1 1    6   24   36 o  747.606   29.782   14.671   1.1438   15.182   1.6070   14.146   1.6283  761.173   41.065  734.038   43.146 27.13501 59.56441 
1 1 1    6   24   38 o  488.645   37.680   6.2261   0.8914   6.8278   1.5757   5.9428   1.0811  502.789   60.955  474.501   44.314 28.28763 75.36031 
1 1 1    6   24   40 o  665.966   30.389   11.732   1.0385   10.794   1.4514   12.716   1.4865  638.123   44.241  693.809   41.674 -55.68616 60.77813 
1 1 1    6   24   42 o  450.598   31.447   5.4062   0.7279   5.6917   1.0345   5.1263   1.0243  462.723   43.485  438.474   45.440 24.24911 62.89409 
1 1 1    6   24   44 o  659.990   30.763   11.629   1.0412   10.586   1.4572   12.716   1.4881  628.880   45.070  691.100   41.882 -62.22009 61.52543 
1 1 1    6   24   46 o  426.209   37.622   4.8029   0.7869   4.4084   0.9623   5.5989   1.3669  403.989   46.331  448.430   59.288 -44.44110 75.24415 
1 1 1    6   24   48 o  629.074   38.145   10.725   1.1763   11.956   2.0284   10.101   1.4438  649.185   60.775  608.963   46.116 40.22217 76.29057 
1 1 1    6   24   50 o  174.946   36.560   0.8773   0.3513   0.8715   0.4811   0.8840   0.5142  174.368   50.656  175.523   52.731 -1.155167 73.11983 
1 1 1    6   24   52 o  272.083   35.916   2.1619   0.4837   2.7945   0.6870   1.5399   0.6813  318.576   41.945  225.589   58.314 92.98718 71.83237 
1 1 1    6   25    1 o  1646.81   32.062   70.813   2.6490   74.193   3.4403   65.890   4.1516  1696.42   39.445  1597.20   50.558 99.22131 64.12474 
1 1 1    6   25    3 o  2434.50   28.346  152.842   3.5463  151.842   5.0819  153.791   4.9511  2426.62   40.734  2442.39   39.429 -15.76660 56.69166 
1 1 1    6   25    5 o  2814.43   27.936  204.406   4.0369  199.986   5.8226  208.498   5.6019  2784.85   40.667  2844.00   38.312 -59.14868 55.87146 
1 1 1    6   25    7 o  1089.74   32.923   30.552   1.8414   32.905   2.6920   28.484   2.5245  1129.05   46.376  1050.43   46.744 78.61426 65.84651 
1 1 1    6   25    9 o  577.641   46.866   9.2558   1.2246   10.090   1.4647   7.3182   2.2322  625.227   45.567  530.055   81.910 95.17151 93.73109 
1 1 1    6   25   11 o  359.658   41.061   3.4572   0.6940   3.2414   1.1865   3.5695   0.8556  347.449   68.856  371.867   44.753 -24.41779 82.12199 
1 1 1    6   25   13 o  1656.95   30.517   70.887   2.5983   68.246   3.6751   73.527   3.6739  1625.96   43.964  1687.95   42.335 -61.99451 61.03331 
1 1 1    6   25   15 o  1516.97   29.925   59.378   2.3334   58.291   3.2601   60.521   3.3412  1502.75   42.197  1531.20   42.442 -28.44556 59.84911 
1 1 1    6   25   17 o  800.575   36.156   16.047   1.4190   18.341   2.4693   14.917   1.7338  841.260   57.091  759.890   44.380 81.36993 72.31126 
1 1 1    6   25   19 o  969.210   34.264   24.010   1.6318   23.337   2.0159   25.291   2.7793  950.580   41.248  987.841   54.724 -37.26025 68.52808 
1 1 1    6   25   21 o  2043.85   29.072  107.874   3.0528  106.198   4.2261  109.703   4.4147  2027.41   40.544  2060.30   41.677 -32.89136 58.14471 
1 1 1    6   25   23 o  1152.22   29.067   34.270   1.7193   31.750   2.3799   37.021   2.4866  1107.88   41.783  1196.56   40.420 -88.68738 58.13438 
1 1 1    6   25   25 f  622.491   43.622   10.323   1.3685   11.831   1.8627   8.5551   2.0171  674.073   53.750  570.909   68.721 103.1649 87.24451 
1 1 1    6   25   27 o  1699.00   28.931   74.827   2.5261   72.157   3.5213   77.658   3.6258  1667.74   41.068  1730.26   40.760 -62.51367 57.86118 
1 1 1    6   25   29 o  972.194   29.192   24.570   1.4584   24.660   2.0328   24.476   2.0934  974.188   40.587  970.199   41.969 3.988892 58.38458 
1 1 1    6   25   31 o  705.342   29.420   12.969   1.0663   13.207   1.4922   12.720   1.5242  712.157   40.754  698.527   42.441 13.63019 58.83960 
1 1 1    6   25   33 o  279.479   44.616   2.1213   0.6602   1.1963   0.9136   3.1326   0.9552  214.554   71.078  344.404   53.946 -129.8499 89.23116 
1 1 1    6   25   35 o  911.644   29.811   21.813   1.3957   22.854   1.9656   20.754   1.9820  934.112   40.928  889.176   43.356 44.93634 59.62287 
1 1 1    6   25   37 o  722.682   43.330   14.124   1.6065   14.676   2.2333   13.532   2.3127  738.705   58.803  706.659   63.656 32.04559 86.65915 
1 1 1    6   25   39 o  342.565   34.215   3.1819   0.5777   3.8832   0.8260   2.5105   0.8083  383.441   41.902  301.689   54.101 81.75250 68.43007 
1 1 1    6   25   41 o  681.776   30.863   12.351   1.0818   12.273   1.5229   12.431   1.5369  679.633   43.583  683.918   43.710 -4.284546 61.72544 
1 1 1    6   25   43 o  127.847   32.610   0.3265   0.2872   0.5936   0.4217   0.0955   0.3922  149.748   48.209  105.946   43.926 43.80253 65.21960 
1 1 1    6   25   45 o  451.773   38.091   5.6107   0.8332   5.6471   1.0249   5.5399   1.4307  458.868   43.445  444.678   62.579 14.18918 76.18161 
1 1 1    6   25   47 o  166.684   44.083   0.6626   0.4996   0.6594   0.6364   0.6677   0.8066  162.518   58.995  170.850   65.518 -8.332535 88.16512 
1 1 1    6   25   49 o  251.234   36.822   1.8173   0.4586   1.8377   0.6230   1.7933   0.6776  254.010   49.482  248.459   54.544 5.550385 73.64447 
1 1 1    6   25   51 o  365.782   33.230   3.7367   0.6225   3.7775   0.8485   3.6891   0.9162  369.327   44.686  362.237   49.193 7.089508 66.45924 
1 1 1    6   26    0 o  158.886   54.229   0.9393   0.5544   1.2824   0.7521   0.5312   0.8202  187.964   78.100  129.808   75.257 -0.000000 0.000000 
1 1 1    6   26    2 o  1265.82   28.619   41.323   1.8623   41.104   2.6500   41.537   2.6176  1262.46   40.828  1269.17   40.116 -6.707153 57.23840 
1 1 1    6   26    4 o  1666.81   28.371   71.671   2.4295   70.869   3.4913   72.424   3.3831  1657.65   40.966  1675.96   39.262 -18.31433 56.74265 
1 1 1    6   26    6 o  899.003   40.730   20.218   1.6114   19.599   1.8377   22.276   3.3520  871.706   41.006  926.300   70.386 -54.59363 81.45914 
1 1 1    6   26    8 o  2341.83   48.348  141.947   5.7900  138.668   7.7582  146.070   8.6990  2312.39   65.258  2371.27   71.354 -58.88574 96.69534 
1 1 1    6   26   10 f  1268.14   37.295   40.419   2.3114   45.309   4.0350   38.031   2.8200  1322.61   59.340  1213.66   45.194 108.9581 74.59018 
1 1 1    6   26   12 o  1059.93   31.172   29.016   1.6977   28.649   2.4329   29.364   2.3702  1053.31   44.925  1066.54   43.225 -13.23303 62.34351 
1 1 1    6   26   14 o  552.147   31.494   7.9012   0.8903   8.6649   1.2526   7.1216   1.2656  579.343   42.055  524.950   46.892 54.39355 62.98785 
1 1 1    6   26   16 o  1868.76   38.295   92.596   3.4194   84.421   5.9320   96.664   4.1846  1802.76   64.002  1934.77   42.069 -132.0168 76.58993 
1 1 1    6   26   18 o  523.617   36.072   7.2378   0.9232   7.5808   1.1563   6.6346   1.5334  541.714   41.516  505.520   59.001 36.19412 72.14368 
1 1 1    6   26   20 o  1939.13   29.441   97.217   2.9325   97.921   4.0698   96.457   4.2291  1946.67   40.664  1931.58   42.585 15.08289 58.88189 
1 1 1    6   26   22 o  1559.41   29.315   62.861   2.3490   61.483   3.2563   64.356   3.3917  1541.70   41.083  1577.13   41.830 -35.42981 58.63044 
1 1 1    6   26   24 o  973.856   43.466   25.102   2.1452   27.238   2.8865   22.468   3.2061  1022.35   54.916  925.362   67.390 96.98920 86.93214 
1 1 1    6   26   26 o  484.107   30.090   6.0702   0.7478   5.6426   1.0317   6.5436   1.0855  466.131   43.048  502.082   42.054 -35.95056 60.18034 
1 1 1    6   26   28 o  453.378   30.709   5.3347   0.7142   4.8630   0.9845   5.8589   1.0378  432.162   44.308  474.594   42.531 -42.43188 61.41745 
1 1 1    6   26   30 o  257.649   34.970   1.7981   0.4454   1.8507   0.6115   1.7386   0.6501  262.263   47.081  253.035   51.719 9.227844 69.93931 
1 1 1    6   26   32 o  598.510   42.573   9.5213   1.3077   10.253   1.8644   8.8128   1.8347  621.748   58.325  575.272   62.034 46.47552 85.14681 
1 1 1    6   26   34 o  780.419   30.036   15.965   1.2046   15.332   1.6877   16.623   1.7200  764.475   42.940  796.364   42.010 -31.88934 60.07229 
1 1 1    6   26   36 o  205.413   44.702   1.0584   0.5446   0.5411   0.7289   1.7119   0.8193  163.905   62.420  246.922   64.008 -83.01694 89.40476 
1 1 1    6   26   38 o  341.508   35.208   3.1447   0.5764   2.0557   0.7785   4.4666   0.8577  271.341   57.586  411.675   40.523 -140.3342 70.41518 
1 1 1    6   26   40 o  736.743   30.971   14.547   1.1595   16.757   1.6234   12.247   1.6565  796.517   39.643  676.970   47.595 119.5468 61.94242 
1 1 1    6   26   42 o  637.876   31.084   10.827   1.0176   9.9864   1.4045   11.756   1.4765  611.495   44.675  664.257   43.233 -52.76178 62.16870 
1 1 1    6   26   44 o  565.154   45.077   8.9619   1.2989   10.382   1.8636   7.6206   1.8112  611.949   59.234  518.359   67.963 93.58997 90.15388 
1 1 1    6   26   46 o  329.146   45.033   3.4073   0.6891   3.9639   0.8497   2.3384   1.1776  383.424   43.106  274.867   79.081 108.5568 90.06609 
1 1 1    6   26   48 o  507.375   32.258   7.0497   0.8409   7.3214   1.1875   6.7764   1.1909  517.868   44.601  496.881   46.616 20.98672 64.51614 
1 1 1    6   26   50 o  291.852   37.588   2.4720   0.5432   2.4625   0.7662   2.4816   0.7702  291.301   53.119  292.403   53.196 -1.102722 75.17585 
1 1 1    6   26   52 o  163.280   35.710   0.7695   0.3911   0.0000   0.6339   1.2423   0.4969  120.689   53.017  205.871   47.855 -85.18251 71.42050 
1 1 1    6   27    1 o  878.298   35.272   19.976   1.5875   18.124   2.2457   21.826   2.2443  837.304   52.168  919.293   47.486 -81.98901 70.54385 
1 1 1    6   27    3 o  1076.57   32.775   29.959   1.7705   30.073   2.2714   29.782   2.8262  1079.71   40.918  1073.42   51.211 6.292480 65.55021 
1 1 1    6   27    5 o  1069.12   44.824   30.081   2.2730   30.840   2.7503   28.447   4.0373  1092.53   48.964  1045.71   75.095 46.81738 89.64779 
1 1 1    6   27    7 o  1417.93   46.066   51.922   3.3582   0.0000   0.0000   51.922   3.3582  ?   ?   1417.93   46.066      ?      ? 
1 1 1    6   27    9 o  762.092   33.155   15.017   1.2963   14.782   1.8880   15.226   1.7828  756.325   48.555  767.860   45.161 -11.53473 66.31060 
1 1 1    6   27   11 o  696.651   32.238   12.563   1.1520   12.027   1.6629   13.058   1.5975  682.199   47.413  711.103   43.695 -28.90411 64.47667 
1 1 1    6   27   13 o  2557.00   39.031  167.040   4.7402  175.410   8.6265  163.419   5.6735  2598.70   64.567  2515.29   43.872 83.40430 78.06165 
1 1 1    6   27   15 o  671.855   43.957   11.965   1.4811   10.366   2.2646   13.160   1.9580  630.916   69.814  712.794   53.430 -81.87805 87.91350 
1 1 1    6   27   17 o  915.442   34.792   21.423   1.5819   20.670   1.9790   22.754   2.6328  894.231   43.046  936.652   54.672 -42.42139 69.58414 
1 1 1    6   27   19 o  1468.56   30.173   56.077   2.2646   61.706   3.1585   50.122   3.2486  1545.39   39.754  1391.72   45.402 153.6725 60.34628 
1 1 1    6   27   21 o  1814.77   29.567   85.208   2.7565   84.543   3.8165   85.933   3.9856  1807.59   41.067  1821.95   42.549 -14.36328 59.13457 
1 1 1    6   27   23 o  1119.56   39.964   33.947   2.0404   35.590   2.4211   29.919   3.7902  1172.20   40.174  1066.92   69.098 105.2831 79.92752 
1 1 1    6   27   25 o  917.173   29.567   21.840   1.3936   21.920   1.9443   21.756   1.9985  919.034   41.149  915.313   42.469 3.720947 59.13419 
1 1 1    6   27   27 o  1176.27   29.443   35.945   1.7798   34.714   2.4750   37.263   2.5612  1155.43   41.663  1197.10   41.614 -41.67224 58.88616 
1 1 1    6   27   29 o  652.112   29.941   11.082   1.0034   10.640   1.4061   11.540   1.4323  638.779   42.816  665.446   41.866 -26.66760 59.88260 
1 1 1    6   27   31 o  450.268   43.590   5.4167   0.9978   6.4104   1.4264   4.4644   1.3963  492.132   56.375  408.405   66.500 83.72723 87.18005 
1 1 1    6   27   33 o  1047.67   29.839   28.790   1.6060   29.830   2.2603   27.730   2.2824  1067.27   41.193  1028.06   43.182 39.20264 59.67872 
1 1 1    6   27   35 o  542.130   38.530   7.7109   0.9862   7.5050   1.1753   8.2007   1.8128  533.983   42.810  550.278   64.075 -16.29553 77.06055 
1 1 1    6   27   37 o  594.824   31.062   9.4024   0.9442   10.470   1.3283   8.3119   1.3426  630.200   40.995  559.449   46.677 70.75012 62.12400 
1 1 1    6   27   39 o  283.901   34.703   2.1832   0.4965   2.1103   0.6868   2.2631   0.7185  276.823   50.102  290.978   48.029 -14.15414 69.40503 
1 1 1    6   27   41 o  208.312   34.609   1.1809   0.3920   0.6101   0.5438   1.7984   0.5657  156.563   54.783  260.061   42.306 -103.4981 69.21707 
1 1 1    6   27   43 o  554.478   45.287   8.6357   1.2830   7.6088   1.8129   9.6661   1.8160  518.437   68.014  590.520   59.814 -72.08270 90.57419 
1 1 1    6   27   45 o  573.311   32.068   8.9162   0.9349   10.545   1.3402   7.3721   1.3049  626.738   41.592  519.884   48.821 106.8544 64.13630 
1 1 1    6   27   47 o  205.178   37.102   1.2027   0.4023   0.8453   0.5549   1.5989   0.5842  173.347   55.246  237.010   49.538 -63.66356 74.20325 
1 1 1    6   27   49 o  334.161   34.096   3.1015   0.5849   2.9227   0.8022   3.3044   0.8546  323.935   48.170  344.387   48.268 -20.45175 68.19176 
1 1 1    6   27   51 o  110.832   30.314   0.2202   0.2582   0.0000   0.3814   0.4063   0.3507   96.284   41.726  125.381   43.986 -29.09643 60.62870 
1 1 1    6   28    0 o  735.683   75.252   14.428   2.7780   14.428   2.7780   0.0000   0.0000  735.683   75.252  735.683   75.252 0.000000 0.000000 
1 1 1    6   28    2 o  329.637   56.883   2.9343   0.9638   3.5787   1.3858   2.3306   1.3414  364.116   76.461  295.158   84.241 68.95862 113.7666 
1 1 1    6   28    4 o  1489.37   40.662   58.597   2.6766   55.166   5.3207   59.760   3.0970  1456.71   71.044  1522.03   39.577 -65.32288 81.32415 
1 1 1    6   28    6 o  1488.19   39.136   57.242   2.6001   57.518   5.1790   57.149   3.0064  1488.00   67.697  1488.38   39.288 -0.3775635 78.27199 
1 1 1    6   28    8 o  2370.93   33.116  145.099   4.0316  148.324   5.8763  142.231   5.5416  2395.55   47.712  2346.29   45.939 49.25977 66.23299 
1 1 1    6   28   10 f  2508.70   32.334  162.700   4.1649  161.139   6.0323  164.122   5.7573  2496.83   46.992  2520.57   44.427 -23.73779 64.66884 
1 1 1    6   28   12 o  1779.43   40.505   81.665   3.3867   83.143   6.2340   81.047   4.0338  1787.76   67.824  1771.10   44.300 16.65967 81.01026 
1 1 1    6   28   14 o  971.019   35.715   24.349   1.7369   24.128   2.2141   24.702   2.8005  966.089   44.577  975.949   55.814 -9.859436 71.43041 
1 1 1    6   28   16 o  956.792   30.846   23.670   1.5168   22.803   2.1339   24.556   2.1563  939.003   44.201  974.581   43.035 -35.57855 61.69110 
1 1 1    6   28   18 o  217.114   34.646   1.2895   0.3991   1.8573   0.5508   0.6619   0.5791  268.065   39.968  166.162   56.604 101.9028 69.29256 
1 1 1    6   28   20 o  439.624   31.526   5.0023   0.7114   4.6175   0.9886   5.4157   1.0246  422.030   45.560  457.218   43.586 -35.18848 63.05181 
1 1 1    6   28   22 o  1376.85   38.618   48.823   2.4700   48.009   2.9132   50.904   4.6584  1360.84   41.638  1392.86   65.052 -32.02148 77.23650 
1 1 1    6   28   24 o  2135.49   36.184  120.762   3.7895  112.836   6.2791  125.302   4.7525  2074.41   58.875  2196.57   42.083 -122.1677 72.36893 
1 1 1    6   28   26 o  502.274   30.499   6.5692   0.7872   6.6746   1.1025   6.4597   1.1244  506.497   42.340  498.052   43.911 8.445099 60.99849 
1 1 1    6   28   28 o  848.351   29.782   18.766   1.2981   18.914   1.8081   18.609   1.8649  852.038   41.275  844.663   42.944 7.374878 59.56329 
1 1 1    6   28   30 o  572.465   42.829   8.7008   1.2575   9.5666   1.8136   7.8993   1.7450  600.411   58.752  544.519   62.333 55.89233 85.65707 
1 1 1    6   28   32 o  436.794   31.160   5.0152   0.6989   5.2155   0.9798   4.8077   0.9973  445.956   42.735  427.631   45.360 18.32483 62.32036 
1 1 1    6   28   34 o  255.184   43.221   1.9633   0.5515   2.2870   0.6579   1.1985   1.0112  294.693   43.424  215.675   74.744 79.01855 86.44226 
1 1 1    6   28   36 o  517.607   37.719   7.0846   0.9628   7.5333   1.6258   6.8422   1.1949  527.248   59.977  507.967   45.755 19.28149 75.43702 
1 1 1    6   28   38 o  732.930   30.676   14.218   1.1454   11.796   1.5759   16.931   1.6677  665.446   46.062  800.414   40.527 -134.9688 61.35228 
1 1 1    6   28   40 o  685.170   31.081   12.493   1.0925   11.402   1.5168   13.669   1.5748  653.455   45.148  716.886   42.728 -63.43164 62.16141 
1 1 1    6   28   42 o  550.489   40.148   8.4611   1.0700   7.8786   1.8058   8.7762   1.3282  529.101   66.382  571.877   45.176 -42.77618 80.29582 
1 1 1    6   28   44 f  573.781   32.604   8.9433   0.9388   6.6552   1.2961   11.468   1.3615  492.925   51.144  654.637   40.453 -161.7116 65.20855 
1 1 1    6   28   46 o  992.355   37.984   26.318   1.8438   31.348   3.2351   23.897   2.2439  1050.11   59.921  934.597   46.699 115.5169 75.96878 
1 1 1    6   28   48 o  498.017   32.261   6.8403   0.8250   6.4339   1.1607   7.2552   1.1728  482.165   46.824  513.869   44.392 -31.70358 64.52245 
1 1 1    6   28   50 o  157.712   36.216   0.7080   0.3357   0.7068   0.4595   0.7093   0.4916  157.347   50.288  158.078   52.129 -0.7310791 72.43166 
1 1 1    6   29    1 f  1141.58   35.501   33.718   2.0826   32.676   2.9546   34.748   2.9361  1123.90   51.133  1159.26   49.262 -35.35999 71.00235 
1 1 1    6   29    3 o  186.708   39.629   0.8377   0.3915   1.1740   0.6926   0.6797   0.4747  210.484   60.674  162.932   50.994 47.55128 79.25726 
1 1 1    6   29    5 o  980.141   29.056   24.806   1.4627   24.617   2.1126   24.981   2.0272  976.445   42.082  983.836   40.078 -7.390686 58.11278 
1 1 1    6   29    7 o  762.174   28.642   14.944   1.1199   16.390   1.6335   13.662   1.5383  796.883   39.870  727.464   41.131 69.41888 57.28358 
1 1 1    6   29    9 f  323.574   48.352   2.8008   0.7269   2.7073   1.3522   2.8388   0.8621  315.946   82.392  331.202   50.629 -15.25641 96.70396 
1 1 1    6   29   11 o  1211.47   44.744   37.882   2.7314   39.492   4.3542   36.838   3.5072  1231.32   68.781  1191.63   57.247 39.68750 89.48773 
1 1 1    6   29   13 o  1764.38   35.935   80.444   3.1915   79.647   4.1055   81.661   5.0736  1754.72   45.508  1774.04   55.627 -19.31775 71.87073 
1 1 1    6   29   15 o  2127.68   31.135  117.163   3.4029  111.565   4.8134  122.757   4.8114  2076.52   45.087  2178.83   42.951 -102.3162 62.27074 
1 1 1    6   29   17 f  1183.96   30.824   36.285   1.8755   34.850   2.6369   37.754   2.6680  1160.16   44.209  1207.76   42.967 -47.59924 61.64878 
1 1 1    6   29   19 o  1337.94   30.328   46.332   2.0850   44.530   2.8942   48.276   3.0063  1310.91   42.942  1364.96   42.839 -54.04761 60.65672 
1 1 1    6   29   21 o  1378.95   38.872   48.339   2.5025   46.619   2.9489   52.766   4.7304  1340.40   42.791  1417.51   64.908 -77.10779 77.74406 
1 1 1    6   29   23 o  466.577   43.353   6.3656   0.9046   4.0917   1.4638   7.7703   1.1505  386.086   76.450  547.067   40.906 -160.9807 86.70595 
1 1 1    6   29   25 o  981.075   35.597   24.702   1.7340   26.989   2.9033   23.434   2.1619  1013.81   55.701  948.340   44.341 65.47028 71.19483 
1 1 1    6   29   27 o  443.446   31.381   5.1298   0.7089   4.2495   0.9783   6.1030   1.0286  402.971   47.219  483.920   41.344 -80.94910 62.76150 
1 1 1    6   29   29 o  187.997   40.372   0.9604   0.4665   0.2425   0.7643   1.3865   0.5889  150.932   61.817  225.061   51.945 -74.12973 80.74429 
1 1 1    6   29   31 o  203.391   33.761   1.1255   0.3862   1.8092   0.5395   0.4067   0.5532  262.978   39.905  143.803   54.469 119.1757 67.52250 
1 1 1    6   29   33 o  561.008   30.843   8.2913   0.8894   8.4439   1.2556   8.1376   1.2601  566.341   43.123  555.674   44.108 10.66724 61.68593 
1 1 1    6   29   35 o  192.580   41.392   1.0302   0.4396   0.8357   0.7563   1.1294   0.5402  183.346   64.575  201.814   51.799 -18.46747 82.78342 
1 1 1    6   29   37 o  211.731   38.651   1.2492   0.4226   1.1744   0.5729   1.3385   0.6260  205.035   53.707  218.427   55.599 -13.39233 77.30286 
1 1 1    6   29   39 o  459.595   31.932   5.6326   0.7531   5.1771   1.0482   6.1185   1.0827  439.960   46.342  479.231   43.943 -39.27182 63.86357 
1 1 1    6   29   41 o  272.276   42.185   2.1127   0.5593   2.1167   0.9176   2.1103   0.7054  269.597   66.594  274.954   51.803 -5.357086 84.36967 
1 1 1    6   29   43 o  676.139   31.503   12.297   1.0934   11.388   1.5099   13.299   1.5853  649.465   45.220  702.813   43.875 -53.34790 63.00643 
1 1 1    6   29   45 o  795.174   47.653   18.511   1.9230   21.133   2.6866   15.757   2.7536  862.179   60.610  728.170   73.551 134.0092 95.30655 
1 1 1    6   29   47 o  122.923   31.625   0.3509   0.2650   0.4759   0.3581   0.1996   0.3941  133.768   44.512  112.078   44.935 21.69032 63.24932 
1 1 1    6   29   49 o  145.245   35.381   0.5694   0.3193   0.5539   0.4323   0.5880   0.4735  143.033   48.905  147.456   51.143 -4.422470 70.76266 
1 1 1    6   30    0 o  1142.39   51.374   34.353   2.9721   31.449   4.2944   37.022   4.1177  1093.90   77.242  1190.89   67.755 0.000000 0.000000 
1 1 1    6   30    2 o  1163.36   35.776   35.009   2.1341   38.548   3.0614   31.663   2.9766  1220.81   48.776  1105.91   52.352 114.9014 71.55283 
1 1 1    6   30    4 o  2664.23   35.385  183.732   4.8351  182.766   7.0795  184.576   6.6193  2657.03   51.824  2671.43   48.195 -14.39722 70.77074 
1 1 1    6   30    6 o  852.362   35.448   18.764   1.5460   19.206   2.3135   18.407   2.0781  861.159   52.253  843.565   47.915 17.59412 70.89587 
1 1 1    6   30    8 o  2232.24   39.122  128.144   4.4529  121.388   5.8705  137.299   6.8333  2164.41   52.755  2300.07   57.786 -135.6626 78.24486 
1 1 1    6   30   10 o  254.760   40.350   1.6210   0.5341   0.9950   0.6927   2.5382   0.8385  196.579   61.617  312.941   52.115 -116.3622 80.70097 
1 1 1    6   30   12 o  968.973   32.285   24.295   1.6075   24.305   2.3119   24.285   2.2365  969.060   46.404  968.885   44.898 0.1750488 64.56905 
1 1 1    6   30   14 o  1720.00   31.562   76.534   2.7902   78.553   4.0048   74.630   3.8896  1742.00   44.716  1698.00   44.556 44.00854 63.12492 
1 1 1    6   30   16 o  1162.18   31.366   35.015   1.8721   33.061   2.6429   36.983   2.6521  1129.38   45.517  1194.98   43.168 -65.60071 62.73171 
1 1 1    6   30   18 f  707.579   31.308   12.993   1.1384   13.208   1.5943   12.769   1.6260  713.679   43.450  701.479   45.086 12.20001 62.61510 
1 1 1    6   30   20 o  515.316   48.850   7.7440   1.0481   8.4588   1.2282   5.8281   2.0107  570.947   41.840  459.685   88.287 111.2619 97.69923 
1 1 1    6   30   22 o  545.513   36.200   7.7156   0.9876   8.0246   1.6068   7.5280   1.2521  553.276   56.487  537.750   45.288 15.52631 72.40015 
1 1 1    6   30   24 o  952.018   30.688   23.715   1.4949   25.814   2.0872   21.504   2.1421  996.209   40.751  907.827   45.894 88.38263 61.37553 
1 1 1    6   30   26 o  165.761   36.807   0.7139   0.3499   0.7839   0.5027   0.6482   0.4872  172.065   52.240  159.458   51.864 12.60698 73.61359 
1 1 1    6   30   28 o  349.818   47.220   3.3752   0.8232   3.0008   1.2245   3.6840   1.1121  327.068   74.485  372.567   58.059 -45.49966 94.43985 
1 1 1    6   30   30 o  268.757   36.921   1.9585   0.4978   2.3707   0.7100   1.5599   0.6982  300.139   46.009  237.374   57.757 62.76587 73.84273 
1 1 1    6   30   32 o  602.771   31.188   9.6034   0.9583   8.1091   1.3416   11.160   1.3693  553.700   47.129  651.841   40.860 -98.14063 62.37567 
1 1 1    6   30   34 o  692.333   45.377   13.080   1.6086   13.056   2.1803   13.110   2.3829  693.469   61.154  691.197   67.056 2.271973 90.75446 
1 1 1    6   30   36 o  1053.83   30.765   29.497   1.6647   30.456   2.3240   28.486   2.3858  1072.46   42.148  1035.21   44.827 37.24390 61.52978 
1 1 1    6   30   38 o  541.800   31.969   7.8170   0.8800   6.3246   1.2092   9.4971   1.2830  485.456   48.450  598.144   41.722 -112.6877 63.93840 
1 1 1    6   30   40 o  817.805   38.610   18.212   1.5383   18.441   2.6287   18.093   1.8970  813.884   62.822  821.725   44.903 -7.840759 77.21908 
1 1 1    6   30   42 o  366.704   43.874   3.9691   0.7406   4.2636   0.9104   3.3930   1.2734  397.818   44.511  335.589   75.619 62.22934 87.74714 
1 1 1    6   30   44 o  258.104   52.729   1.9470   0.7548   1.3087   0.9899   2.8335   1.1666  212.912   73.946  303.295   75.189 -90.38269 105.4578 
1 1 1    6   30   46 o  722.376   32.515   14.433   1.1888   17.395   1.6968   11.577   1.6661  800.243   41.241  644.509   50.280 155.7337 65.02982 
1 1 1    6   30   48 f  417.328   33.347   4.8941   0.7013   3.8049   0.9782   6.0455   1.0058  365.606   52.043  469.050   41.709 -103.4442 66.69430 
1 1 1    6   31    1 o  1052.85   50.041   29.034   2.6935   25.706   3.8276   32.299   3.7910  991.875   75.058  1113.83   66.201 -121.9514 100.0817 
1 1 1    6   31    3 o  1810.30   42.015   85.001   3.7857   84.631   4.7846   85.621   6.1906  1807.37   51.491  1813.23   66.407 -5.856201 84.03074 
1 1 1    6   31    5 o  1631.44   41.037   68.790   3.3865   67.351   4.3905   70.905   5.3209  1611.83   52.981  1651.05   62.684 -39.21204 82.07491 
1 1 1    6   31    7 o  1958.57   36.968  100.343   3.4463  101.891   4.1707   97.012   6.1191  1985.78   40.852  1931.35   61.625 54.42651 73.93544 
1 1 1    6   31    9 o  1110.96   31.022   32.020   1.7538   32.648   2.3331   31.204   2.6592  1124.04   40.373  1097.88   47.111 26.16077 62.04377 
1 1 1    6   31   11 o  1007.36   33.114   26.358   1.7098   24.971   2.4722   27.630   2.3674  981.532   48.989  1033.19   44.568 -51.65784 66.22900 
1 1 1    6   31   13 o  681.642   32.623   12.038   1.1425   12.161   1.6498   11.925   1.5837  684.896   46.854  678.388   45.406 6.508484 65.24612 
1 1 1    6   31   15 f  1119.40   31.843   32.489   1.8314   34.151   2.6143   30.887   2.5664  1147.67   44.306  1091.14   45.749 56.52612 63.68684 
1 1 1    6   31   17 o  1120.80   31.310   32.611   1.8041   32.970   2.5485   32.251   2.5542  1127.06   43.982  1114.55   44.575 12.50256 62.62043 
1 1 1    6   31   19 o  569.497   46.302   9.0851   1.1620   9.7094   1.3638   7.4316   2.2194  611.301   43.394  527.692   81.808 83.60895 92.60426 
1 1 1    6   31   21 o  1125.20   36.185   32.761   2.0259   34.431   3.3471   31.795   2.5450  1145.41   56.838  1104.99   44.799 40.41650 72.37046 
1 1 1    6   31   23 o  296.910   35.123   2.3457   0.5229   2.5415   0.7383   2.1486   0.7407  311.994   46.025  281.825   53.069 30.16876 70.24696 
1 1 1    6   31   25 o  415.307   32.077   4.5169   0.6840   4.6517   0.9522   4.3732   0.9831  421.943   43.893  408.670   46.789 13.27304 64.15453 
1 1 1    6   31   27 o  353.034   47.900   3.3793   0.8461   4.3853   1.2522   2.5340   1.1478  405.898   60.004  300.169   74.680 105.7288 95.79939 
1 1 1    6   31   29 o  1110.08   30.508   32.464   1.7345   34.847   2.4180   29.939   2.4894  1153.42   40.776  1066.75   45.390 86.66272 61.01580 
1 1 1    6   31   31 o  738.774   30.936   14.376   1.1708   12.816   1.6302   16.037   1.6826  696.665   45.515  780.882   41.910 -84.21661 61.87130 
1 1 1    6   31   33 o  396.485   52.532   4.6297   1.0207   6.0931   1.4055   2.9967   1.4848  475.151   57.536  317.819   87.908 157.3326 105.0631 
1 1 1    6   31   35 o  472.044   32.581   5.9246   0.7888   5.3744   1.0940   6.5202   1.1382  448.774   47.416  495.314   44.698 -46.53949 65.16224 
1 1 1    6   31   37 o  706.370   31.828   13.362   1.1505   14.572   1.6113   12.104   1.6433  740.617   42.318  672.123   47.554 68.49347 63.65664 
1 1 1    6   31   39 o  402.627   32.669   4.3769   0.6720   4.7132   0.9274   4.0051   0.9751  420.177   42.931  385.077   49.254 35.10031 65.33789 
1 1 1    6   31   41 o  748.028   37.009   14.616   1.3611   13.034   1.6619   17.838   2.3719  694.249   46.562  801.808   57.539 -107.5585 74.01842 
1 1 1    6   31   43 o  731.888   42.917   15.415   1.4517   15.803   1.7355   14.512   2.6488  763.485   44.214  700.291   73.571 63.19434 85.83447 
1 1 1    6   31   45 o  406.971   34.086   4.6517   0.6938   5.7467   0.9747   3.5271   0.9878  460.207   41.197  353.735   54.315 106.4724 68.17103 
1 1 1    6   31   47 o  264.382   36.672   2.0206   0.4878   2.2665   0.6861   1.7695   0.6935  285.072   46.815  243.691   56.458 41.38123 73.34303 
1 1 1    6   32    0 o  3611.79   50.309  339.095   9.3142  355.485   12.990  321.750   13.363  3703.20   68.279  3520.38   73.905 -0.000000 0.000000 
1 1 1    6   32    2 o  1556.28   43.048   61.986   3.2569   66.087   5.6870   59.984   3.9729  1591.21   69.517  1521.34   50.794 69.87512 86.09608 
1 1 1    6   32    4 o  1617.22   33.321   69.069   2.6739   62.048   4.2646   73.617   3.4323  1546.44   53.639  1688.00   39.550 -141.5662 66.64288 
1 1 1    6   32    6 o  823.057   33.452   17.958   1.3592   15.924   2.1852   19.241   1.7359  783.175   54.270  862.939   39.126 -79.76392 66.90321 
1 1 1    6   32    8 o  704.275   29.075   12.874   1.0488   12.085   1.5187   13.593   1.4501  683.348   43.228  725.201   38.893 -41.85315 58.14935 
1 1 1    6   32   10 o  1157.39   33.752   34.898   1.9989   32.437   2.9005   37.124   2.7587  1117.74   50.473  1197.03   44.825 -79.29004 67.50454 
1 1 1    6   32   12 o  875.679   33.030   19.904   1.4858   19.736   2.1401   20.060   2.0645  871.935   47.740  879.423   45.661 -7.488708 66.06094 
1 1 1    6   32   14 o  887.556   32.574   20.524   1.4811   18.850   2.1174   22.129   2.0726  851.532   48.364  923.581   43.648 -72.04846 65.14764 
1 1 1    6   32   16 o  962.900   31.954   24.159   1.5761   21.854   2.2328   26.448   2.2251  916.483   47.386  1009.32   42.880 -92.83484 63.90700 
1 1 1    6   32   18 o  485.544   49.488   6.2890   1.1923   6.4409   1.5134   6.0405   1.9361  495.285   59.431  475.804   79.147 19.48053 98.97618 
1 1 1    6   32   20 o  792.951   38.427   17.073   1.4803   14.470   2.4241   18.620   1.8693  740.124   63.706  845.779   42.989 -105.6550 76.85423 
1 1 1    6   32   22 o  852.228   31.041   18.925   1.3592   18.212   1.8835   19.699   1.9634  835.525   43.847  868.931   43.950 -33.40613 62.08200 
1 1 1    6   32   24 o  1623.95   30.725   68.897   2.5645   67.961   3.5752   69.889   3.6807  1612.80   43.117  1635.10   43.785 -22.30042 61.45031 
1 1 1    6   32   26 o  882.189   43.318   20.590   1.9555   23.507   2.9109   18.191   2.6398  939.155   60.287  825.224   62.220 113.9311 86.63626 
1 1 1    6   32   28 o  178.729   35.615   0.8436   0.3637   1.2696   0.5172   0.4269   0.5116  215.340   47.946  142.118   52.678 73.22177 71.23045 
1 1 1    6   32   30 o  730.704   31.448   14.140   1.1761   15.432   1.6482   12.800   1.6786  765.904   41.857  695.504   46.944 70.39966 62.89510 
1 1 1    6   32   32 o  667.543   45.592   12.091   1.5568   11.345   2.0787   13.045   2.3494  645.356   62.649  689.729   66.255 -44.37250 91.18448 
1 1 1    6   32   34 o  715.288   31.402   13.593   1.1545   13.586   1.6156   13.600   1.6505  715.356   43.928  715.221   44.886 0.1349487 62.80409 
1 1 1    6   32   36 o  548.973   31.735   8.0276   0.8873   6.6595   1.2245   9.5403   1.2876  498.449   47.784  599.496   41.775 -101.0468 63.46973 
1 1 1    6   32   38 o  487.452   32.953   6.3846   0.8133   5.0419   1.1217   7.8729   1.1810  431.522   50.561  543.383   42.274 -111.8613 65.90569 
1 1 1    6   32   40 f  157.485   39.086   0.6237   0.3766   0.6299   0.4587   0.6109   0.6597  153.726   50.336  161.244   59.810 -7.517746 78.17284 
1 1 1    6   32   42 o  438.108   33.919   5.2379   0.7450   3.8608   1.0185   6.8232   1.0927  373.284   53.068  502.932   42.259 -129.6483 67.83836 
1 1 1    6   32   44 o  153.416   39.145   0.5881   0.3887   0.6686   0.6182   0.5354   0.4999  160.997   58.190  145.835   52.377 15.16263 78.29067 
1 1 1    6   32   46 o  800.545   32.888   17.819   1.3529   17.028   1.8894   18.650   1.9380  781.676   47.013  819.413   46.003 -37.73712 65.77617 
1 1 1    6   32   48 o  212.505   40.017   1.3595   0.4558   1.8003   0.6671   0.9737   0.6241  244.908   54.398  180.102   58.704 64.80605 80.03326 
1 1 1    6   33    1 o  1083.99   35.985   30.529   2.0017   28.343   2.8267   32.729   2.8351  1044.66   52.630  1123.32   49.091 -78.65430 71.97095 
1 1 1    6   33    3 o  446.752   34.962   5.3542   0.7737   6.1071   1.0178   4.3235   1.1909  485.886   40.742  407.619   56.827 78.26709 69.92336 
1 1 1    6   33    5 o  300.283   32.133   2.3338   0.4954   2.5098   0.7134   2.1698   0.6885  311.250   44.580  289.316   46.290 21.93491 64.26671 
1 1 1    6   33    7 f  934.999   29.363   22.698   1.4074   21.304   2.0243   24.003   1.9580  906.812   43.420  963.187   39.540 -56.37439 58.72618 
1 1 1    6   33    9 o  1960.08   28.495   99.582   2.8675   96.974   4.1316  102.005   3.9831  1934.86   41.534  1985.30   39.023 -50.43982 56.99012 
1 1 1    6   33   11 o  174.776   39.336   0.7826   0.3986   0.7221   0.5700   0.8405   0.5575  170.123   56.134  179.430   55.119 -9.306381 78.67127 
1 1 1    6   33   13 o  1150.75   32.961   34.565   1.9423   31.906   2.7939   37.052   2.7022  1107.05   49.088  1194.46   44.002 -87.40869 65.92265 
1 1 1    6   33   15 o  383.157   34.813   3.8220   0.6789   4.5843   0.9871   3.1374   0.9353  419.738   45.740  346.576   52.493 73.16232 69.62503 
1 1 1    6   33   17 o  748.942   48.095   14.797   1.8116   14.596   2.3264   15.106   2.8875  744.696   60.764  753.188   74.567 -8.492126 96.18970 
1 1 1    6   33   19 o  465.757   32.845   5.6649   0.7853   5.2789   1.1040   6.0603   1.1174  449.484   47.772  482.030   45.090 -32.54544 65.69097 
1 1 1    6   33   21 o  971.109   31.521   24.629   1.5730   24.504   2.1883   24.762   2.2626  968.792   43.935  973.426   45.211 -4.633667 63.04171 
1 1 1    6   33   23 o  780.809   40.127   16.317   1.4977   15.614   2.6234   16.658   1.8242  763.850   66.802  797.768   44.476 -33.91791 80.25309 
1 1 1    6   33   25 o  271.013   48.615   1.9378   0.6799   2.8032   1.0853   1.3787   0.8723  316.975   68.588  225.051   68.916 91.92404 97.22994 
1 1 1    6   33   27 o  488.621   33.712   6.4257   0.8252   7.8839   1.1524   4.8907   1.1823  548.358   40.877  428.885   53.620 119.4723 67.42381 
1 1 1    6   33   29 o  550.064   32.068   7.9891   0.9065   7.6604   1.2636   8.3376   1.3011  538.315   45.655  561.812   45.045 -23.49677 64.13635 
1 1 1    6   33   31 o  711.099   46.326   13.856   1.6776   13.857   2.2288   13.855   2.5480  714.238   60.697  707.961   70.002 6.277100 92.65240 
1 1 1    6   33   33 o  304.212   36.734   2.5151   0.5622   2.7028   0.8156   2.3452   0.7759  317.545   49.958  290.879   53.869 26.66547 73.46849 
1 1 1    6   33   35 o  1235.65   31.313   40.681   1.9882   40.344   2.7625   41.044   2.8636  1230.95   43.651  1240.34   44.906 -9.386841 62.62545 
1 1 1    6   33   37 o  682.628   32.230   12.558   1.1243   13.829   1.5719   11.227   1.6088  720.043   42.463  645.213   48.497 74.83014 64.45986 
1 1 1    6   33   39 o  438.683   38.748   4.8270   0.8292   3.8603   0.9982   6.9799   1.4896  375.784   51.665  501.581   57.763 -125.7969 77.49675 
1 1 1    6   33   41 o  777.956   32.180   16.487   1.2828   17.620   1.7937   15.299   1.8354  807.477   43.207  748.434   47.699 59.04279 64.35907 
1 1 1    6   33   43 o  271.757   53.620   2.3261   0.7707   2.3349   1.0008   2.3133   1.2080  275.343   70.420  268.172   80.881 7.171387 107.2410 
1 1 1    6   33   45 o  531.540   34.322   7.8974   0.9365   7.7658   1.2856   8.0462   1.3670  527.851   47.374  535.230   49.677 -7.379028 68.64436 
1 1 1    6   33   47 o  477.839   35.863   6.5708   0.8727   7.4944   1.2330   5.6438   1.2354  515.554   46.520  440.124   54.595 75.43082 71.72633 
1 1 1    6   34    0 o  3191.83   50.714  265.221   8.3089  264.032   11.568  266.488   11.942  3184.99   70.723  3198.67   72.703 -0.000000 0.000000 
1 1 1    6   34    2 o  705.165   36.172   12.932   1.3114   12.940   1.8546   12.924   1.8545  705.380   51.140  704.951   51.169 0.4284668 72.34344 
1 1 1    6   34    4 o  239.471   35.310   1.5619   0.4299   0.9837   0.6137   2.1188   0.6023  192.941   57.528  286.000   40.960 -93.05890 70.62038 
1 1 1    6   34    6 o  517.455   30.434   6.9514   0.8085   6.7689   1.1648   7.1211   1.1232  510.753   44.359  524.158   41.679 -13.40500 60.86752 
1 1 1    6   34    8 o  799.849   33.764   16.613   1.3392   16.715   2.2088   16.554   1.6841  800.593   53.663  799.105   40.991 1.487244 67.52720 
1 1 1    6   34   10 o  903.441   31.331   21.093   1.4461   20.275   1.9245   22.153   2.1917  883.843   42.352  923.038   46.183 -39.19501 62.66260 
1 1 1    6   34   12 o  811.499   34.420   17.302   1.4229   14.978   2.0437   19.489   1.9823  757.274   52.492  865.724   44.536 -108.4505 68.83966 
1 1 1    6   34   14 o  491.202   43.692   5.8437   1.0154   5.1459   1.1917   7.6934   1.9402  443.613   52.249  538.791   70.042 -95.17825 87.38310 
1 1 1    6   34   16 o  417.243   56.384   5.1267   1.1211   6.1597   1.4286   3.4707   1.8089  484.021   57.408  350.465   97.062 133.5563 112.7688 
1 1 1    6   34   18 o  617.106   32.433   9.9594   1.0275   9.4176   1.4603   10.491   1.4460  600.148   47.329  634.063   44.357 -33.91553 64.86568 
1 1 1    6   34   20 o  1299.55   31.865   44.160   2.1273   41.823   2.9844   46.574   3.0330  1264.18   45.918  1334.92   44.193 -70.73853 63.72960 
1 1 1    6   34   22 o  259.953   46.045   1.8043   0.5825   2.0876   1.0361   1.6734   0.7044  273.252   72.540  246.655   56.731 26.59680 92.08929 
1 1 1    6   34   24 o  641.001   39.168   11.467   1.1970   12.757   1.4980   9.1901   1.9906  697.871   41.752  584.131   66.283 113.7392 78.33663 
1 1 1    6   34   26 o  443.596   33.360   5.1956   0.7605   5.0026   1.0671   5.3949   1.0842  435.092   47.703  452.099   46.647 -17.00616 66.71953 
1 1 1    6   34   28 o  619.471   32.229   10.148   1.0263   9.9930   1.4379   10.308   1.4653  614.694   45.500  624.247   45.657 -9.553772 64.45745 
1 1 1    6   34   30 o  299.493   45.825   2.1636   0.6434   1.5514   0.7574   3.7511   1.2197  234.501   61.911  364.486   67.578 -129.9844 91.65054 
1 1 1    6   34   32 o  594.557   32.307   9.4321   0.9854   9.7744   1.3666   9.0614   1.4221  606.645   43.816  582.469   47.489 24.17633 64.61451 
1 1 1    6   34   34 o  1421.43   31.270   53.855   2.2845   53.800   3.1921   53.913   3.2709  1421.29   43.684  1421.57   44.754 -0.2777100 62.53955 
1 1 1    6   34   36 o  664.474   32.972   11.916   1.1208   12.953   1.5642   10.823   1.6066  696.044   43.710  632.904   49.376 63.14063 65.94324 
1 1 1    6   34   38 o  338.973   52.372   3.4395   0.8865   3.5560   1.2251   3.3114   1.2845  346.974   71.068  330.972   76.947 16.00220 104.7446 
1 1 1    6   34   40 o  651.719   33.051   11.611   1.1029   12.261   1.5252   10.899   1.5966  672.933   44.086  630.505   49.253 42.42804 66.10128 
1 1 1    6   34   42 o  293.117   50.747   2.7751   0.8184   3.6565   1.0774   1.5726   1.2584  358.173   58.508  228.061   82.933 130.1124 101.4939 
1 1 1    6   34   44 o  501.558   33.645   7.0095   0.8675   6.9290   1.2163   7.0930   1.2377  498.747   47.432  504.369   47.729 -5.622803 67.28962 
1 1 1    6   34   46 o  263.836   38.883   2.0839   0.5211   2.6872   0.7403   1.4915   0.7336  308.852   46.619  218.819   62.242 90.03363 77.76535 
1 1 1    6   35    1 f  361.761   41.209   3.5239   0.7358   4.1050   1.0208   2.8957   1.0614  397.034   50.010  326.487   65.512 70.54736 82.41896 
1 1 1    6   35    3 o  692.849   42.349   12.034   1.3036   11.530   1.4907   13.671   2.6873  666.399   43.510  719.299   72.667 -52.89960 84.69720 
1 1 1    6   35    5 o  1004.74   29.703   26.231   1.5325   25.202   2.1906   27.216   2.1446  985.138   43.251  1024.34   40.723 -39.19977 59.40501 
1 1 1    6   35    7 o  601.718   32.668   9.2787   1.0027   8.2613   1.3223   10.655   1.5381  563.575   45.635  639.861   46.756 -76.28564 65.33521 
1 1 1    6   35    9 f  367.882   33.671   3.4643   0.6312   3.0043   0.8315   4.0899   0.9698  339.565   47.629  396.198   47.608 -56.63361 67.34241 
1 1 1    6   35   11 o  343.186   32.935   3.0487   0.5783   2.8713   0.7728   3.2743   0.8717  332.052   45.270  354.320   47.850 -22.26779 65.87095 
1 1 1    6   35   13 o  841.705   44.470   17.898   1.7643   16.771   2.0828   20.763   3.3196  800.721   50.593  882.689   73.149 -81.96875 88.94091 
1 1 1    6   35   15 o  954.735   38.020   23.388   1.7950   25.932   3.0429   22.030   2.2229  991.295   59.706  918.175   47.089 73.11993 76.04083 
1 1 1    6   35   17 o  1198.79   32.596   37.572   2.0086   38.523   2.8697   36.660   2.8124  1213.70   45.989  1183.89   46.206 29.80688 65.19194 
1 1 1    6   35   19 o  482.229   33.320   6.0948   0.8226   5.3780   1.1439   6.8625   1.1839  452.456   49.176  512.002   44.975 -59.54648 66.64095 
1 1 1    6   35   21 o  780.081   42.290   16.133   1.5568   16.400   2.8329   16.017   1.8633  779.275   70.710  780.887   46.412 -1.611877 84.58079 
1 1 1    6   35   23 o  434.220   37.453   4.9220   0.8063   4.7117   1.0055   5.3011   1.3497  423.022   46.233  445.419   58.937 -22.39774 74.90693 
1 1 1    6   35   25 o  133.681   34.110   0.4016   0.3009   0.4460   0.4153   0.3525   0.4365  136.901   47.875  130.461   48.600 6.440186 68.22031 
1 1 1    6   35   27 o  1053.29   31.692   29.312   1.7154   28.209   2.3866   30.490   2.4673  1032.73   44.949  1073.84   44.690 -41.10645 63.38467 
1 1 1    6   35   29 o  929.546   42.240   23.130   1.8097   22.696   2.1276   24.265   3.4415  924.991   44.739  934.102   71.661 -9.110901 84.47997 
1 1 1    6   35   31 o  595.295   32.590   9.4390   0.9966   8.9040   1.3880   10.008   1.4317  577.600   46.740  612.991   45.428 -35.39099 65.17960 
1 1 1    6   35   33 o  556.792   32.841   8.3823   0.9292   9.3670   1.2797   7.2842   1.3514  593.781   41.920  519.802   50.566 73.97827 65.68284 
1 1 1    6   35   35 o  614.878   32.496   10.169   1.0252   10.536   1.4243   9.7747   1.4769  627.408   44.156  602.348   47.689 25.05969 64.99239 
1 1 1    6   35   37 o  1174.99   45.887   39.339   2.7453   35.257   3.9962   42.988   3.7779  1107.74   70.168  1242.25   59.152 -134.5040 91.77447 
1 1 1    6   35   39 o  403.621   35.176   4.4979   0.7104   3.3134   0.9853   5.7804   1.0252  344.694   55.597  462.549   43.109 -117.8552 70.35212 
1 1 1    6   35   41 o  354.486   54.036   4.0703   0.9718   4.9918   1.2879   2.8520   1.4809  417.477   60.006  291.494   89.882 125.9832 108.0715 
1 1 1    6   35   43 o  151.207   35.840   0.6189   0.3277   0.7196   0.4884   0.5363   0.4421  159.939   51.921  142.476   49.418 17.46339 71.67960 
1 1 1    6   35   45 o  196.739   37.421   1.1755   0.3993   1.4771   0.5432   0.8207   0.5891  225.004   48.392  168.474   57.092 56.52969 74.84181 
1 1 1    6   36    0 o  440.173   90.734   5.6664   1.8132   5.6664   1.8132   0.0000   0.0000  440.173   90.734  440.173   90.734 -0.000000 0.000000 
1 1 1    6   36    2 o  606.286   43.554   9.5175   1.3063   9.1395   1.6245   10.209   2.1975  591.187   53.446  621.384   68.785 -30.19714 87.10841 
1 1 1    6   36    4 o  1461.45   39.342   55.351   2.6900   54.513   3.1902   57.411   5.0037  1448.08   42.851  1474.81   65.991 -26.73706 78.68335 
1 1 1    6   36    6 o  1410.10   37.825   50.614   2.5534   48.265   3.0615   55.983   4.6284  1362.00   43.721  1458.20   61.736 -96.20239 75.64986 
1 1 1    6   36    8 o  996.874   29.611   25.790   1.5131   28.708   2.1906   23.126   2.0925  1051.06   40.538  942.684   43.175 108.3789 59.22281 
1 1 1    6   36   10 o  584.759   35.389   8.9232   1.0337   8.8556   1.3130   9.0333   1.6763  583.033   43.803  586.486   55.595 -3.453125 70.77795 
1 1 1    6   36   12 o  1229.81   51.271   40.553   3.1866   41.272   4.1689   39.542   4.9423  1247.55   64.998  1212.07   79.310 35.47656 102.5417 
1 1 1    6   36   14 o  1125.47   38.638   32.787   2.1484   35.366   3.6290   31.395   2.6657  1155.67   61.078  1095.27   47.338 60.39709 77.27515 
1 1 1    6   36   16 o  1116.16   32.992   32.654   1.8921   32.102   2.7091   33.179   2.6437  1106.51   47.622  1125.81   45.675 -19.29358 65.98498 
1 1 1    6   36   18 o  1398.90   43.438   52.309   2.8092   51.706   5.2510   52.551   3.3250  1382.22   73.892  1415.57   45.686 -33.34619 86.87505 
1 1 1    6   36   20 o  867.673   45.707   19.587   2.0002   23.601   3.2369   17.109   2.5440  935.765   67.281  799.580   61.885 136.1849 91.41401 
1 1 1    6   36   22 o  747.125   33.021   14.762   1.2635   16.137   1.7805   13.367   1.7933  783.242   44.215  711.009   49.057 72.23279 66.04244 
1 1 1    6   36   24 o  828.531   32.370   18.156   1.3772   18.721   1.9228   17.561   1.9735  842.443   44.393  814.619   47.121 27.82422 64.73914 
1 1 1    6   36   26 o  629.067   32.560   10.483   1.0526   10.151   1.4656   10.837   1.5129  618.771   46.069  639.363   46.024 -20.59198 65.11973 
1 1 1    6   36   28 o  457.513   47.953   5.9046   0.9413   5.9750   1.0932   5.7030   1.8510  474.414   44.822  440.612   84.787 33.80267 95.90546 
1 1 1    6   36   30 o  330.001   36.038   2.9299   0.6111   2.8293   0.8661   3.0296   0.8623  324.063   51.985  335.938   49.926 -11.87466 72.07685 
1 1 1    6   36   32 o  269.533   35.590   1.9878   0.4791   1.5589   0.6593   2.4677   0.6974  235.017   55.461  304.048   44.616 -69.03040 71.17903 
1 1 1    6   36   34 o  459.190   33.569   5.6947   0.7900   5.9222   1.0909   5.4439   1.1456  469.856   45.161  448.525   49.678 21.33142 67.13737 
1 1 1    6   36   36 o  253.774   44.279   1.7505   0.6897   0.3414   0.9584   3.2639   0.9933  164.087   68.401  343.460   56.249 -179.3731 88.55829 
1 1 1    6   36   38 o  203.490   39.786   1.1392   0.4295   0.8599   0.5541   1.5599   0.6800  175.213   55.138  231.768   57.371 -56.55420 79.57160 
1 1 1    6   36   40 o  192.724   47.453   0.9575   0.4969   0.8806   0.5579   1.2522   1.0928  175.949   55.320  209.500   77.116 -33.55138 94.90633 
1 1 1    6   36   42 o  161.764   37.856   0.7328   0.3663   0.7057   0.5086   0.7619   0.5281  159.189   53.050  164.339   54.019 -5.149689 75.71246 
1 1 1    6   36   44 o  207.505   37.946   1.3047   0.4135   1.5340   0.5657   1.0414   0.6061  228.865   49.512  186.146   57.517 42.71951 75.89241 
1 1 1    6   37    1 o  969.417   51.655   25.097   2.5676   23.338   3.6611   26.799   3.6019  934.413   76.209  1004.42   69.750 -70.00732 103.3096 
1 1 1    6   37    3 o  587.347   44.468   8.9267   1.2687   9.6803   2.2242   8.5633   1.5447  602.982   71.747  571.713   52.554 31.26892 88.93506 
1 1 1    6   37    5 o  726.609   37.151   13.727   1.3764   16.434   2.0392   11.462   1.8655  792.531   50.046  660.686   54.921 131.8453 74.30289 
1 1 1    6   37    7 o  890.209   33.090   20.857   1.4947   21.839   1.9906   19.589   2.2634  915.700   42.283  864.719   50.911 50.98047 66.17946 
1 1 1    6   37    9 o  1603.69   44.535   68.790   3.0884   69.390   3.5334   66.850   6.3574  1631.81   42.116  1575.56   78.483 56.25720 89.06927 
1 1 1    6   37   11 o  1063.23   48.287   31.616   2.3642   33.872   2.8473   26.606   4.2425  1136.90   48.713  989.566   83.389 147.3339 96.57490 
1 1 1    6   37   13 o  987.169   38.663   25.612   1.9319   25.167   2.5119   26.257   3.0226  978.808   49.916  995.531   59.056 -16.72327 77.32541 
1 1 1    6   37   15 o  585.496   35.310   9.1284   1.0470   7.4825   1.4994   10.694   1.4626  531.980   54.820  639.013   44.518 -107.0330 70.61941 
1 1 1    6   37   17 o  325.778   50.746   3.2522   0.7629   2.1455   1.4753   3.6563   0.8914  278.566   90.221  372.990   46.484 -94.42374 101.4916 
1 1 1    6   37   19 o  1109.32   46.708   32.962   2.5999   34.314   4.1859   32.113   3.3173  1122.30   72.545  1096.34   58.853 25.96155 93.41566 
1 1 1    6   37   21 o  371.354   35.205   3.6542   0.6720   3.5592   0.9436   3.7520   0.9574  366.388   50.091  376.319   49.482 -9.930603 70.41003 
1 1 1    6   37   23 o  137.209   35.875   0.4036   0.3351   0.3971   0.4775   0.4099   0.4704  136.971   50.872  137.448   50.597 -0.4765625 71.74930 
1 1 1    6   37   25 o  460.592   46.666   5.5384   0.9724   5.2426   1.1223   6.4291   1.9475  443.475   49.224  477.710   79.295 -34.23447 93.33115 
1 1 1    6   37   27 o  534.008   50.438   8.3332   1.1471   8.7130   1.3423   7.3053   2.2085  572.330   45.619  495.686   89.973 76.64325 100.8769 
1 1 1    6   37   29 o  906.595   37.074   21.237   1.6821   26.482   2.8000   18.275   2.1040  988.185   55.113  825.004   49.605 163.1814 74.14870 
1 1 1    6   37   31 o  417.800   34.192   4.6786   0.7267   3.8320   0.9978   5.6350   1.0605  376.404   51.561  459.196   44.920 -82.79166 68.38393 
1 1 1    6   37   33 o  205.675   39.538   1.2006   0.4299   1.1062   0.6101   1.2937   0.6058  197.844   56.924  213.507   54.888 -15.66290 79.07555 
1 1 1    6   37   35 o  559.934   52.651   9.4707   1.4046   7.0085   2.0736   11.558   1.9093  474.963   88.162  644.906   57.584 -169.9436 105.3018 
1 1 1    6   37   37 o  503.470   34.327   6.9334   0.8862   6.2785   1.2301   7.6399   1.2777  477.796   50.077  529.145   46.965 -51.34937 68.65474 
1 1 1    6   37   39 o  290.088   49.151   2.6592   0.7132   2.9023   0.8661   2.1469   1.2569  322.239   52.277  257.937   83.249 64.30197 98.30202 
1 1 1    6   37   41 o  188.218   39.472   1.0338   0.4175   1.2971   0.5957   0.7796   0.5854  209.477   54.712  166.960   56.910 42.51714 78.94361 
1 1 1    6   37   43 o  517.196   35.304   7.6472   0.9213   6.0246   1.2860   9.3578   1.3204  455.230   54.945  579.161   44.345 -123.9317 70.60725 
1 1 1    6   38    0 o  1367.33   52.395   49.451   3.6564   51.759   5.2569   47.289   5.0890  1398.74   73.566  1335.92   74.626 0.000000 0.000000 
1 1 1    6   38    2 o  860.132   37.058   19.465   1.6351   18.155   2.3272   20.743   2.2978  830.755   54.486  889.509   50.245 -58.75336 74.11649 
1 1 1    6   38    4 o  497.268   53.321   6.9489   1.2142   7.3522   1.4821   6.1259   2.1172  528.552   54.542  465.985   91.639 62.56696 106.6426 
1 1 1    6   38    6 o  491.937   41.359   6.3884   1.0347   5.2137   1.4263   7.6934   1.5033  443.272   62.584  540.601   54.088 -97.32944 82.71748 
1 1 1    6   38    8 o  711.692   50.315   13.878   1.7125   12.705   2.9530   14.473   2.1021  682.640   84.141  740.743   55.196 -58.10315 100.6292 
1 1 1    6   38   10 o  326.737   44.691   2.7937   0.7507   0.0000   0.0000   2.7937   0.7507  ?   ?   326.737   44.691      ?      ? 
1 1 1    6   38   12 o  1027.46   51.043   29.005   2.5772   26.502   4.2042   30.513   3.2619  983.289   83.164  1071.63   59.205 -88.34015 102.0853 
1 1 1    6   38   14 o  1521.66   50.190   63.774   3.7543   58.000   6.1095   67.277   4.7587  1452.99   81.785  1590.32   58.202 -137.3350 100.3806 
1 1 1    6   38   16 o  364.221   53.270   3.6424   0.9316   4.0964   1.5720   3.3967   1.1566  378.586   83.047  349.857   66.737 28.72986 106.5392 
1 1 1    6   38   18 o  272.745   40.804   1.9693   0.5666   1.3690   0.7488   2.7733   0.8666  222.306   62.767  323.185   52.156 -100.8788 81.60883 
1 1 1    6   38   20 o  391.129   41.244   3.9378   0.7843   2.8547   0.9969   5.6965   1.2704  320.160   62.809  462.097   53.474 -141.9368 82.48892 
1 1 1    6   38   22 o  1048.61   37.249   28.920   1.9613   27.263   2.4892   31.634   3.1852  1013.23   47.784  1083.99   57.154 -70.75885 74.49716 
1 1 1    6   38   24 o  679.454   33.482   12.282   1.1647   10.853   1.6212   13.807   1.6743  637.552   49.459  721.357   45.146 -83.80457 66.96497 
1 1 1    6   38   26 o  1077.80   49.325   34.539   2.2951   37.091   2.6864   27.641   4.4161  1181.56   44.222  974.044   88.184 207.5116 98.65079 
1 1 1    6   38   28 o  558.630   40.209   8.7147   1.1028   7.6263   1.7745   9.3995   1.4076  524.113   65.853  593.146   46.159 -69.03290 80.41897 
1 1 1    6   38   30 o  121.317   33.701   0.2494   0.3079   0.1986   0.4512   0.2936   0.4211  119.187   47.978  123.447   47.340 -4.260170 67.40181 
1 1 1    6   38   32 o  354.896   38.388   3.5272   0.6643   4.4624   0.9472   2.6219   0.9320  407.541   45.208  302.251   62.054 105.2904 76.77521 
1 1 1    6   38   34 o  549.926   39.259   8.3840   1.0594   8.4283   1.3221   8.3045   1.7709  558.053   46.081  541.798   63.574 16.25470 78.51784 
1 1 1    6   38   36 o  193.310   42.490   1.1294   0.5013   0.3667   0.9040   1.4681   0.6023  160.423   66.615  226.198   52.763 -65.77461 84.97913 
1 1 1    6   38   38 f  245.407   40.188   1.7946   0.5009   2.1207   0.6851   1.4203   0.7340  272.690   50.735  218.125   62.339 54.56532 80.37537 
1 1 1    6   38   40 o  807.438   41.208   19.029   1.6348   18.161   2.6817   19.542   2.0624  778.014   67.044  836.861   47.934 -58.84717 82.41677 
1 1 1    6   38   42 o  136.114   35.556   0.4495   0.3277   0.3670   0.4365   0.5559   0.4960  127.085   48.327  145.142   52.167 -18.05654 71.11189 
1 1 1    6   39    1 f  545.977   56.570   8.1237   1.5822   8.5641   2.1922   7.6448   2.2859  562.998   75.734  528.957   84.054 34.04132 113.1407 
1 1 1    6   39    3 o  401.976   61.473   4.5587   1.2354   3.8088   1.6963   5.4057   1.8029  364.825   90.799  439.126   82.894 -74.30124 122.9468 
1 1 1    6   39    5 o  933.697   54.129   23.635   2.5917   23.873   3.5536   23.365   3.7880  940.595   73.484  926.799   79.497 13.79547 108.2576 
1 1 1    6   39    7 o  589.865   45.488   9.8604   1.1567   8.1923   2.2825   10.437   1.3418  547.654   81.067  632.076   41.289 -84.42200 90.97594 
1 1 1    6   39    9 o  411.461   36.119   4.4947   0.7489   4.3023   1.1668   4.6294   0.9766  402.798   56.342  420.124   45.212 -17.32614 72.23885 
1 1 1    6   39   11 o  959.247   42.287   22.877   1.7555   27.768   3.8041   21.553   1.9788  1011.35   73.161  907.147   42.429 104.2004 84.57386 
1 1 1    6   39   13 o  1492.09   40.726   59.375   3.1131   59.691   4.2369   59.004   4.5893  1498.76   54.985  1485.41   60.094 13.34705 81.45283 
1 1 1    6   39   15 o  554.333   55.726   8.8987   1.4381   7.4300   2.3776   9.7459   1.8058  505.029   95.056  603.636   58.188 -98.60675 111.4519 
1 1 1    6   39   17 o  377.469   51.684   4.1952   0.8620   3.5034   1.6507   4.4546   1.0108  344.689   91.588  410.249   47.922 -65.56015 103.3676 
1 1 1    6   39   19 o  862.494   43.301   18.932   1.7424   23.085   3.3626   17.408   2.0372  915.533   71.438  809.455   48.953 106.0773 86.60136 
1 1 1    6   39   21 f  464.636   58.280   6.6742   1.2557   4.6462   2.0532   7.8862   1.5872  388.601  101.615  540.671   57.099 -152.0700 116.5590 
1 1 1    6   39   23 o  859.672   38.262   19.897   1.6428   19.861   2.0922   19.956   2.6530  863.406   47.133  855.937   60.287 7.468750 76.52483 
1 1 1    6   39   25 o  581.667   63.271   9.3111   1.8921   9.3111   1.8921   0.0000   0.0000  581.667   63.271  ?   ?       ?      ? 
1 1 1    6   39   27 o  242.482   41.578   1.7337   0.5349   2.1672   0.6890   1.0758   0.8488  284.457   47.110  200.507   68.525 83.95007 83.15673 
1 1 1    6   39   29 o  361.284   44.490   3.9139   0.7556   4.6546   0.9723   2.7849   1.2004  416.820   45.371  305.748   76.543 111.0723 88.97925 
1 1 1    6   39   31 o  581.305   45.714   9.6802   1.2403   9.0004   2.2225   9.9877   1.4948  554.825   77.916  607.785   47.835 -52.96063 91.42789 
1 1 1    6   39   33 o  441.000   40.581   5.4336   0.8847   5.4872   1.1158   5.3428   1.4516  448.880   48.349  433.121   65.189 15.75934 81.16186 
1 1 1    6   39   35 o  264.115   38.320   2.0020   0.5094   2.2649   0.6967   1.7000   0.7468  287.804   47.082  240.426   60.472 47.37805 76.63929 
1 1 1    6   39   37 o  427.528   37.149   5.1253   0.7948   3.7748   1.0931   6.6399   1.1576  363.403   58.506  491.653   45.796 -128.2497 74.29773 
1 1 1    6   39   39 o  514.319   42.717   7.7671   1.0835   7.5443   1.7714   7.9003   1.3696  498.866   69.067  529.773   50.286 -30.90771 85.43341 
1 1 1    6   39   41 o  500.462   35.632   7.0999   0.9094   5.9869   1.2365   8.4114   1.3422  455.601   52.789  545.323   47.873 -89.72229 71.26325 
1 1 1    6   40    0 o  737.954   56.180   14.878   2.0480   17.186   2.9664   12.777   2.8310  797.216   73.831  678.691   84.697 0.000000 0.000000 
1 1 1    6   40    2 o  505.511   50.381   7.1888   1.1829   6.3425   2.0105   7.6370   1.4629  473.551   85.734  537.470   52.940 -63.91943 100.7616 
1 1 1    6   40    4 o  557.366   46.973   8.4189   1.2527   8.1394   2.1919   8.5545   1.5266  545.795   78.114  568.936   52.192 -23.14111 93.94576 
1 1 1    6   40    6 f  1298.36   34.734   45.455   2.2344   40.056   3.5451   49.014   2.8779  1227.96   56.154  1368.77   40.896 -140.8083 69.46754 
1 1 1    6   40    8 o  938.737   35.780   23.625   1.6475   22.083   2.7248   24.514   2.0684  910.068   58.235  967.406   41.586 -57.33875 71.55952 
1 1 1    6   40   10 o  180.903   41.226   0.7526   0.4984   1.4169   0.6839   0.0000   0.7279  226.186   58.405  135.620   58.200 90.56599 82.45184 
1 1 1    6   40   12 o  908.278   42.075   22.276   1.9468   23.771   2.6460   20.511   2.8747  944.780   54.474  871.776   64.138 73.00385 84.14937 
1 1 1    6   40   14 f  200.205   43.700   1.0740   0.4945   1.2455   0.7357   0.9327   0.6678  212.629   62.895  187.780   60.686 24.84904 87.39906 
1 1 1    6   40   16 f  736.668   35.490   14.497   1.3377   13.382   1.9327   15.523   1.8534  707.874   53.105  765.462   47.095 -57.58826 70.97956 
1 1 1    6   40   18 o  358.790   52.922   3.8158   0.8473   3.2539   1.6604   4.0136   0.9852  329.386   93.628  388.195   49.364 -58.80960 105.8442 
1 1 1    6   40   20 o  274.985   49.277   2.2711   0.6597   1.6362   1.3350   2.4763   0.7589  245.231   85.832  304.740   48.435 -59.50868 98.55488 
1 1 1    6   40   22 f  306.577   49.218   2.5773   0.6860   2.8341   1.3798   2.4930   0.7906  308.268   84.532  304.886   50.439 3.382721 98.43614 
1 1 1    6   40   24 o  375.118   94.214   4.3403   1.8145   0.0000   0.0000   4.3403   1.8145  ?   ?   375.118   94.214      ?      ? 
1 1 1    6   40   26 o  394.539   55.680   4.9893   0.9717   3.5881   1.8563   5.5182   1.1405  336.180  100.010  452.899   48.980 -116.7193 111.3603 
1 1 1    6   40   28 o  299.717   54.043   2.5634   0.8073   3.1855   1.3683   2.2313   0.9998  323.909   82.067  275.526   70.340 48.38284 108.0860 
1 1 1    6   40   30 o  168.211   43.956   0.6549   0.4863   0.7952   0.8151   0.5773   0.6061  180.097   66.546  156.325   57.446 23.77267 87.91143 
1 1 1    6   40   32 o  244.807   41.683   1.8641   0.5561   2.4682   0.7083   0.8933   0.8978  301.786   45.652  187.828   69.755 113.9582 83.36610 
1 1 1    6   40   34 o  616.668   38.694   10.264   1.1925   9.1378   1.4910   12.262   1.9865  575.147   50.424  658.188   58.705 -83.04059 77.38776 
1 1 1    6   40   36 o  229.928   44.033   1.4927   0.5034   1.3122   0.6054   1.8973   0.9065  211.598   55.105  248.257   68.696 -36.65900 88.06608 
1 1 1    6   40   38 f  457.557   54.592   6.9355   1.1850   3.0844   1.6443   11.097   1.7093  290.980   95.308  624.135   53.270 -333.1549 109.1847 
1 1 1    6   40   40 o  221.756   46.963   1.4197   0.5383   1.1717   0.6393   2.0240   0.9980  196.008   58.777  247.503   73.262 -51.49522 93.92581 
1 1 1    6   41    1 o  365.587   58.794   3.8756   1.0868   3.1013   1.5679   4.5917   1.5079  326.836   90.309  404.339   75.306 -77.50339 117.5870 
1 1 1    6   41    3 o  702.542   53.105   13.513   1.9166   13.518   2.7649   13.508   2.6591  701.790   76.630  703.294   73.542 -1.504028 106.2097 
1 1 1    6   41    5 o  410.616   48.591   4.6845   0.9739   4.8824   1.2623   4.3933   1.5310  427.592   57.418  393.640   78.405 33.95270 97.18150 
1 1 1    6   41    7 o  208.748   45.456   1.1706   0.5372   0.9949   0.7329   1.3745   0.7898  194.526   63.624  222.971   64.940 -28.44478 90.91288 
1 1 1    6   41    9 o  831.083   39.603   18.505   1.5641   18.594   1.8885   18.311   2.7907  840.443   43.707  821.723   66.056 18.72034 79.20642 
1 1 1    6   41   11 o  958.216   33.592   24.555   1.6290   26.058   2.1671   22.603   2.4701  995.116   42.359  921.317   52.148 73.79865 67.18401 
1 1 1    6   41   13 o  636.069   30.579   10.685   0.9942   12.151   1.4222   9.2830   1.3904  679.732   40.698  592.406   45.652 87.32562 61.15870 
1 1 1    6   41   15 o  364.449   37.705   3.5518   0.7054   3.8390   1.0177   3.2864   0.9786  378.896   52.243  350.001   54.382 28.89459 75.41026 
1 1 1    6   41   17 o  315.983   39.297   2.7001   0.6230   3.0378   0.9370   2.4326   0.8339  336.108   54.227  295.859   56.891 40.24875 78.59450 
1 1 1    6   41   19 f  649.494   34.983   11.303   1.1653   10.975   1.6913   11.600   1.6079  639.476   51.443  659.511   47.420 -20.03473 69.96510 
1 1 1    6   41   21 o  794.787   34.161   16.898   1.3955   17.375   2.0021   16.447   1.9462  805.669   48.334  783.906   48.289 21.76239 68.32274 
1 1 1    6   41   23 o  296.799   52.280   2.7279   0.8989   3.9093   1.1656   0.9948   1.4119  377.426   60.071  216.173   85.581 161.2529 104.5591 
1 1 1    6   41   25 o  430.319   36.839   5.0277   0.8134   4.7908   1.1664   5.2519   1.1349  419.580   54.071  441.058   50.049 -21.47800 73.67891 
1 1 1    6   41   27 o  476.823   58.182   7.5780   1.1700   5.0089   2.1798   8.6176   1.3866  388.495  106.128  565.151   47.723 -176.6560 116.3645 
1 1 1    6   41   29 o  448.962   56.518   6.1555   1.2274   5.4240   1.9357   6.6473   1.5874  412.451   93.449  485.473   63.598 -73.02185 113.0370 
1 1 1    6   41   31 o  709.215   46.027   14.597   1.5282   13.755   2.7280   14.982   1.8449  677.964   78.264  740.466   48.463 -62.50146 92.05376 
1 1 1    6   41   33 o  640.959   44.051   11.482   1.3678   12.770   2.4079   10.868   1.6620  656.334   71.357  625.583   51.673 30.75098 88.10204 
1 1 1    6   41   35 o  149.108   38.939   0.5584   0.3987   0.0000   0.7985   0.7438   0.4601  135.937   59.614  162.279   50.112 -26.34244 77.87782 
1 1 1    6   41   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   41   39 o  582.323   41.421   9.4697   1.2009   7.6923   1.4894   12.772   2.0302  511.383   56.648  653.263   60.447 -141.8793 82.84174 
1 1 1    6   42    0 o  1432.20   74.470   55.007   5.4496   55.007   5.4496   0.0000   0.0000  1432.20   74.470  1432.20   74.470 -0.000000 0.000000 
1 1 1    6   42    2 o  253.723   50.969   1.6611   0.7593   2.8982   1.1364   0.6634   1.0206  319.985   70.941  187.461   73.203 132.5240 101.9371 
1 1 1    6   42    4 o  1268.06   43.979   43.153   2.7733   42.355   3.4944   44.511   4.5583  1259.88   53.948  1276.25   69.470 -16.37402 87.95750 
1 1 1    6   42    6 o  571.489   35.790   8.8827   1.0228   9.9075   1.3557   7.5283   1.5585  613.284   42.995  529.694   57.228 83.59052 71.57943 
1 1 1    6   42    8 o  815.261   30.794   17.563   1.2881   16.841   1.8548   18.237   1.7903  798.227   45.195  832.295   41.838 -34.06860 61.58797 
1 1 1    6   42   10 o  735.323   31.348   14.384   1.1752   12.466   1.6780   16.232   1.6465  685.323   47.623  785.323   40.780 -100.0007 62.69696 
1 1 1    6   42   12 o  868.540   30.902   19.920   1.3750   22.282   1.9839   17.736   1.9075  918.948   41.990  818.132   45.349 100.8167 61.80408 
1 1 1    6   42   14 o  825.832   32.763   18.013   1.3830   17.149   1.8426   19.127   2.0929  804.313   44.560  847.350   48.042 -43.03735 65.52534 
1 1 1    6   42   16 o  173.972   40.194   0.7873   0.4120   0.9280   0.6239   0.6785   0.5486  185.123   58.539  162.822   55.095 22.30106 80.38809 
1 1 1    6   42   18 o  458.878   36.533   5.6754   0.8592   5.4964   1.2523   5.8346   1.1809  451.087   54.000  466.668   49.219 -15.58118 73.06501 
1 1 1    6   42   20 o  696.280   34.323   13.007   1.2278   12.796   1.7600   13.207   1.7138  690.151   49.601  702.409   47.456 -12.25775 68.64683 
1 1 1    6   42   22 o  836.245   53.748   20.352   2.2003   21.511   2.7892   18.441   3.5803  883.013   61.438  789.477   88.208 93.53601 107.4958 
1 1 1    6   42   24 o  519.904   36.021   7.3092   0.9602   8.0752   1.3882   6.6064   1.3296  546.776   49.382  493.031   52.454 53.74454 72.04174 
1 1 1    6   42   26 o  267.862   41.619   2.0464   0.5579   2.3128   0.8105   1.8066   0.7690  285.346   57.242  250.377   60.432 34.96828 83.23795 
1 1 1    6   42   28 o  273.575   52.198   1.7726   0.7570   3.9324   1.3943   0.8700   0.9014  360.016   77.617  187.133   69.814 172.8826 104.3952 
1 1 1    6   42   30 o  261.496   43.311   2.0150   0.5750   1.7068   0.8202   2.3129   0.8062  239.710   64.939  283.281   57.325 -43.57053 86.62104 
1 1 1    6   42   32 o  697.372   34.936   13.439   1.2517   12.774   1.7511   14.135   1.7898  678.961   50.165  715.784   48.637 -36.82336 69.87188 
1 1 1    6   42   34 o  651.746   34.888   11.836   1.1685   11.397   1.6268   12.304   1.6795  639.100   49.511  664.392   49.167 -25.29163 69.77670 
1 1 1    6   42   36 o  599.512   87.272   12.036   2.6899   0.0000   0.0000   12.036   2.6899  ?   ?   599.512   87.272      ?      ? 
1 1 1    6   42   38 o  552.554   53.684   10.028   1.3144   9.2421   2.3578   10.383   1.5832  504.762   94.323  600.347   51.293 -95.58514 107.3671 
1 1 1    6   43    1 o  877.319   38.420   20.631   1.7302   19.214   2.4334   22.078   2.4605  845.776   55.961  908.863   52.658 -63.08710 76.84058 
1 1 1    6   43    3 o  163.650   38.483   0.5890   0.4270   0.0000   0.6137   1.1419   0.5945  124.369   53.406  202.931   55.421 -78.56149 76.96545 
1 1 1    6   43    5 o  524.490   39.033   7.3844   1.0486   8.2361   1.5062   6.5833   1.4608  554.780   52.809  494.201   57.494 60.57932 78.06602 
1 1 1    6   43    7 o  464.135   31.987   5.7328   0.7595   5.2034   1.0890   6.2343   1.0599  442.341   47.885  485.930   42.423 -43.58875 63.97407 
1 1 1    6   43    9 o  679.924   31.773   12.329   1.1027   10.885   1.5799   13.702   1.5398  639.357   48.063  720.492   41.568 -81.13440 63.54520 
1 1 1    6   43   11 o  609.474   31.650   9.8716   0.9900   9.3714   1.4144   10.352   1.3861  593.629   46.345  625.320   43.116 -31.69043 63.29951 
1 1 1    6   43   13 o  314.625   36.280   2.7008   0.5662   2.2030   0.7899   3.2268   0.8120  280.887   56.653  348.363   45.336 -67.47614 72.56027 
1 1 1    6   43   15 o  518.498   33.828   7.1917   0.8970   7.2409   1.2117   7.1319   1.3344  521.536   45.189  515.461   50.353 6.075439 67.65681 
1 1 1    6   43   17 o  307.365   40.090   2.6217   0.6172   2.3969   0.8926   2.8276   0.8543  290.733   61.632  323.996   51.285 -33.26334 80.17901 
1 1 1    6   43   19 o  469.420   45.495   5.1280   1.0006   3.7846   1.1606   9.0185   1.9749  370.806   60.876  568.034   67.626 -197.2276 90.98993 
1 1 1    6   43   21 o  445.575   41.076   5.2681   0.9175   6.3037   1.5151   4.6683   1.1530  477.117   61.766  414.032   54.165 63.08521 82.15130 
1 1 1    6   43   23 o  560.412   35.557   8.5503   1.0170   7.4263   1.4389   9.6721   1.4376  521.423   53.676  599.401   46.649 -77.97717 71.11382 
1 1 1    6   43   25 o  393.856   37.042   4.2483   0.7495   4.0865   1.0634   4.4080   1.0565  385.833   53.609  401.879   51.131 -16.04608 74.08341 
1 1 1    6   43   27 o  185.222   46.970   0.8943   0.5561   0.9268   0.9096   0.8750   0.7027  190.158   70.293  180.286   62.320 9.871643 93.94072 
1 1 1    6   43   29 o  461.748   36.174   5.9172   0.8520   6.6898   1.2024   5.1382   1.2075  494.499   47.296  428.997   54.747 65.50214 72.34769 
1 1 1    6   43   31 o  695.911   35.528   13.442   1.2705   12.914   1.7676   14.006   1.8274  681.587   50.443  710.236   50.045 -28.64862 71.05639 
1 1 1    6   43   33 o  252.726   38.056   1.8561   0.5176   0.7664   0.7098   3.0939   0.7564  169.928   62.209  335.525   43.851 -165.5968 76.11113 
1 1 1    6   43   35 f  304.556   60.798   3.4857   1.0596   4.1501   1.3051   2.2010   1.8148  361.128   72.807  247.985   97.391 113.1427 121.5968 
1 1 1    6   44    0 o  129.421   54.781   0.3810   0.6594   0.9057   1.0167   0.0000   0.8664  154.317   86.068  104.526   67.795 0.000000 0.000000 
1 1 1    6   44    2 o  419.254   40.806   4.7567   0.8795   4.6780   1.2385   4.8368   1.2493  415.665   57.952  422.843   57.465 -7.177612 81.61252 
1 1 1    6   44    4 o  520.597   39.009   7.3159   1.0387   8.2266   1.4821   6.4367   1.4562  553.812   52.055  487.383   58.113 66.42911 78.01816 
1 1 1    6   44    6 o  225.593   41.141   1.4423   0.4794   1.5450   0.6355   1.3066   0.7304  235.339   53.709  215.846   62.334 19.49304 82.28141 
1 1 1    6   44    8 o  564.526   31.691   8.4696   0.9193   8.3567   1.3154   8.5774   1.2853  560.505   45.648  568.547   43.972 -8.042480 63.38229 
1 1 1    6   44   10 f  146.792   33.626   0.4758   0.3300   0.9453   0.4652   0.0000   0.4682  184.727   48.398  108.857   46.695 75.86997 67.25176 
1 1 1    6   44   12 o  562.154   31.969   8.4320   0.9221   8.0583   1.3252   8.7829   1.2839  549.298   46.925  575.010   43.431 -25.71191 63.93898 
1 1 1    6   44   14 o  539.577   32.921   7.8718   0.8853   5.6482   1.2345   10.226   1.2703  457.349   52.500  621.805   39.735 -164.4558 65.84184 
1 1 1    6   44   16 o  1026.47   33.145   28.535   1.7229   30.683   2.3088   25.836   2.5882  1074.80   41.782  978.141   51.466 96.65527 66.29087 
1 1 1    6   44   18 o  245.019   54.502   1.6692   0.7560   1.3276   0.9672   2.2057   1.2120  218.300   73.159  271.738   80.806 -53.43855 109.0040 
1 1 1    6   44   20 o  423.264   44.299   5.1501   0.8931   4.5728   1.4446   5.5072   1.1363  395.010   73.848  451.517   48.951 -56.50714 88.59889 
1 1 1    6   44   22 o  289.138   40.344   2.3704   0.5781   2.4606   0.8346   2.2873   0.8017  294.483   57.185  283.793   56.924 10.68988 80.68787 
1 1 1    6   44   24 o  236.869   49.269   1.8254   0.6895   0.4872   1.3527   2.2953   0.8015  190.241   80.401  283.498   56.967 -93.25734 98.53700 
1 1 1    6   44   26 o  187.471   43.150   0.9812   0.4818   0.7916   0.6784   1.1741   0.6844  173.332   61.147  201.611   60.898 -28.27972 86.29929 
1 1 1    6   44   28 o  178.893   41.203   0.8173   0.4608   1.3687   0.6883   0.3695   0.6203  215.723   59.920  142.064   56.572 73.65912 82.40651 
1 1 1    6   44   30 o  656.071   35.635   12.010   1.2001   12.629   1.6886   11.379   1.7059  674.885   48.666  637.257   52.067 37.62720 71.26961 
1 1 1    6   44   32 o  219.025   42.455   1.4393   0.4925   1.6014   0.7207   1.2972   0.6747  230.305   60.198  207.745   59.883 22.56084 84.91062 
1 1 1    6   44   34 f  222.186   52.693   1.3968   0.6607   1.0429   0.7826   2.2744   1.2327  187.388   65.711  256.984   82.390 -69.59584 105.3853 
1 1 1    6   45    1 o  316.829   44.300   2.7982   0.7061   3.4532   1.0235   2.2033   0.9754  357.089   55.749  276.568   68.861 80.52118 88.59946 
1 1 1    6   45    3 o  275.948   45.172   2.1679   0.6281   2.1076   0.8748   2.2321   0.9024  271.996   63.678  279.900   64.087 -7.903931 90.34385 
1 1 1    6   45    5 o  833.832   38.261   18.838   1.6348   17.392   2.3333   20.231   2.2912  800.337   56.705  867.328   51.382 -66.99054 76.52184 
1 1 1    6   45    7 o  661.018   35.619   11.906   1.1869   12.874   1.5782   10.645   1.8010  695.734   44.121  626.302   55.931 69.43152 71.23866 
1 1 1    6   45    9 o  234.639   38.911   1.5524   0.4613   1.6422   0.6357   1.4526   0.6704  242.515   52.508  226.762   57.438 15.75281 77.82183 
1 1 1    6   45   11 o  429.583   34.897   5.0619   0.7341   6.8863   1.0512   3.3251   1.0256  509.987   40.090  349.180   57.131 160.8070 69.79361 
1 1 1    6   45   13 o  245.951   36.542   1.7024   0.4579   2.2775   0.6438   1.1133   0.6515  292.534   42.804  199.368   59.237 93.16637 73.08361 
1 1 1    6   45   15 o  800.920   38.575   17.650   1.5171   18.136   1.9051   16.808   2.5080  823.355   45.006  778.484   62.662 44.87091 77.14926 
1 1 1    6   45   17 o  284.265   58.216   2.5174   0.9335   3.0881   1.2169   1.7016   1.4550  322.642   74.817  245.888   89.213 76.75337 116.4324 
1 1 1    6   45   19 o  567.183   36.749   8.7735   1.0706   9.2014   1.5170   8.3488   1.5113  581.738   50.720  552.629   53.191 29.10846 73.49705 
1 1 1    6   45   21 o  683.504   37.101   12.826   1.2992   11.637   1.8346   14.022   1.8400  649.623   54.929  717.384   49.888 -67.76038 74.20258 
1 1 1    6   45   23 o  301.768   56.323   2.7479   0.8403   3.0261   1.5133   2.6238   1.0103  306.143   90.102  297.393   67.608 8.749725 112.6464 
1 1 1    6   45   25 o  487.381   37.944   6.6073   0.9504   6.8303   1.3471   6.3862   1.3410  496.152   52.809  478.610   54.498 17.54187 75.88708 
1 1 1    6   45   27 o  460.872   37.514   5.9405   0.8889   5.9066   1.2591   5.9743   1.2550  459.377   53.311  462.367   52.793 -2.989746 75.02815 
1 1 1    6   45   29 o  268.964   44.005   2.1756   0.6000   1.7981   0.8390   2.5708   0.8584  242.501   65.676  295.427   58.585 -52.92519 88.00917 
1 1 1    6   45   31 o  256.728   42.201   1.9881   0.5466   2.0602   0.7697   1.9148   0.7764  262.195   58.574  251.262   60.768 10.93390 84.40230 
1 1 1    6   45   33 o  134.294   41.154   0.0862   0.3813   0.0000   0.4128   0.5873   0.9955   99.825   43.334  168.762   69.976 -68.93666 82.30767 
1 1 1    6   46    0 o  163.919   62.445   1.0736   0.7329   0.9563   1.0679   1.1781   1.0076  157.338   88.043  170.500   88.577 0.000000 0.000000 
1 1 1    6   46    2 o  567.328   51.501   8.8143   1.3996   8.3441   1.6820   9.8724   2.5234  552.057   59.263  582.600   84.246 -30.54340 103.0027 
1 1 1    6   46    4 o  663.228   39.133   11.952   1.3339   12.044   1.9149   11.865   1.8592  665.288   55.983  661.169   54.695 4.118835 78.26674 
1 1 1    6   46    6 o  552.713   39.485   8.3495   1.1166   7.6835   1.6085   8.9691   1.5513  529.506   59.085  575.919   52.393 -46.41302 78.96902 
1 1 1    6   46    8 o  477.501   32.758   6.1056   0.8037   5.8719   1.1357   6.3401   1.1376  467.982   47.203  487.021   45.434 -19.03854 65.51574 
1 1 1    6   46   10 o  719.448   31.679   13.821   1.1712   14.326   1.6881   13.352   1.6262  732.070   44.852  706.827   44.749 25.24304 63.35719 
1 1 1    6   46   12 o  446.338   33.447   5.3580   0.7662   4.9821   1.0779   5.7418   1.0894  429.891   48.771  462.785   45.785 -32.89349 66.89439 
1 1 1    6   46   14 o  300.194   48.402   2.5677   0.7289   2.0647   0.9598   3.2530   1.1203  265.179   69.540  335.209   67.344 -70.02948 96.80455 
1 1 1    6   46   16 o  309.980   41.995   2.9345   0.6172   1.9563   1.0054   3.5259   0.7818  256.684   72.817  363.276   41.859 -106.5922 83.99084 
1 1 1    6   46   18 o  833.774   36.946   19.046   1.5825   18.366   2.2501   19.712   2.2261  817.782   53.516  849.766   50.953 -31.98413 73.89285 
1 1 1    6   46   20 o  417.954   61.131   6.3501   1.1152   3.6591   2.2836   7.1929   1.2779  322.084  112.285  513.825   48.374 -191.7401 122.2625 
1 1 1    6   46   22 o  195.037   49.194   0.8818   0.5859   1.5660   1.0732   0.5914   0.6993  229.143   77.060  160.932   61.173 68.21089 98.38880 
1 1 1    6   46   24 o  698.901   37.913   13.729   1.3313   17.116   1.9047   10.495   1.8614  790.363   46.875  607.440   59.602 182.9229 75.82649 
1 1 1    6   46   26 o  300.105   40.512   2.6860   0.6017   3.7150   0.8476   1.6410   0.8542  368.241   44.772  231.969   67.529 136.2719 81.02335 
1 1 1    6   46   28 o  138.941   36.317   0.4643   0.3443   0.5244   0.4858   0.4036   0.4880  143.543   51.626  134.338   51.093 9.205765 72.63495 
1 1 1    6   46   30 o  749.505   36.640   16.028   1.4089   16.877   1.9750   15.148   2.0104  772.655   49.717  726.356   53.835 46.29840 73.28003 
1 1 1    6   46   32 o  426.859   65.958   6.7497   1.3830   7.0918   1.7251   6.1343   2.3138  473.995   70.789  379.722  111.315 94.27264 131.9168 
1 1 1    6   47    1 o  634.086   39.903   10.976   1.2978   12.021   1.8701   10.006   1.8026  664.253   54.759  603.919   58.056 60.33423 79.80641 
1 1 1    6   47    3 o  522.855   40.069   7.4808   1.0738   8.2331   1.5353   6.7605   1.5023  549.881   54.308  495.829   58.931 54.05237 80.13846 
1 1 1    6   47    5 o  547.954   40.226   8.2337   1.1239   9.5561   1.6127   6.9849   1.5672  593.081   52.889  502.827   60.624 90.25394 80.45191 
1 1 1    6   47    7 o  789.490   38.816   16.946   1.5687   19.260   2.2940   14.913   2.1500  841.453   53.026  737.527   56.702 103.9262 77.63271 
1 1 1    6   47    9 o  410.995   33.967   4.5560   0.7137   5.1864   1.0244   3.9614   0.9948  439.692   45.314  382.299   50.613 57.39273 67.93439 
1 1 1    6   47   11 o  186.900   43.946   0.9357   0.4697   0.9330   0.5634   0.9418   0.8509  182.962   55.248  190.838   68.356 -7.876114 87.89153 
1 1 1    6   47   13 o  1165.85   41.100   38.048   2.4244   40.931   3.2499   34.430   3.6405  1225.08   51.599  1106.62   63.987 118.4535 82.19976 
1 1 1    6   47   15 o  177.335   38.969   0.8752   0.3947   0.7707   0.5724   0.9700   0.5449  169.215   56.272  185.455   53.923 -16.23981 77.93726 
1 1 1    6   47   17 o  326.879   41.048   3.1381   0.6490   2.4034   0.9890   3.6935   0.8600  284.242   68.489  369.516   45.267 -85.27368 82.09651 
1 1 1    6   47   19 o  248.236   52.523   2.0212   0.8060   0.5407   1.4582   2.6725   0.9672  195.087   83.008  301.386   64.376 -106.2986 105.0460 
1 1 1    6   47   21 o  786.654   40.578   17.435   1.6080   17.428   2.0839   17.446   2.5282  793.646   51.072  779.661   63.072 13.98486 81.15653 
1 1 1    6   47   23 o  374.700   40.402   4.0068   0.7547   4.6634   1.0944   3.4113   1.0423  408.722   52.079  340.677   61.783 68.04434 80.80474 
1 1 1    6   47   25 o  240.350   43.044   1.7103   0.5576   1.0301   0.7648   2.4822   0.8147  189.207   65.037  291.492   56.404 -102.2849 86.08854 
1 1 1    6   47   27 o  467.131   38.390   6.2373   0.9216   6.0174   1.2956   6.4626   1.3113  458.178   55.000  476.084   53.575 -17.90625 76.78038 
1 1 1    6   47   29 o  338.787   56.388   3.8433   0.8862   3.8765   1.0223   3.7428   1.7775  366.157   54.303  311.418   98.840 54.73871 112.7753 
1 1 1    6   48    0 o  211.248   66.420   1.7432   0.8401   1.0083   1.1788   2.5016   1.1975  161.030   91.535  261.466   96.269 0.000000 0.000000 
1 1 1    6   48    2 o  943.793   40.049   24.598   1.9306   21.704   2.7427   27.440   2.7180  884.390   60.320  1003.20   52.698 -118.8060 80.09727 
1 1 1    6   48    4 o  289.245   45.652   2.4336   0.6627   2.6880   0.9261   2.1666   0.9486  306.712   60.878  271.778   68.046 34.93411 91.30361 
1 1 1    6   48    6 o  370.602   43.609   3.8795   0.7979   4.8359   1.1571   3.0125   1.1017  420.416   53.533  320.787   68.857 99.62933 87.21840 
1 1 1    6   48    8 o  753.114   49.473   15.848   1.6010   15.544   1.8223   16.875   3.3518  758.805   46.710  747.422   87.225 11.38281 98.94508 
1 1 1    6   48   10 o  299.913   48.183   2.6781   0.7263   2.9678   0.9846   2.3325   1.0756  321.277   61.856  278.548   73.893 42.72873 96.36609 
1 1 1    6   48   12 o  789.983   35.668   17.135   1.4187   16.581   2.2169   17.520   1.8462  773.958   55.713  806.009   44.551 -32.05072 71.33578 
1 1 1    6   48   14 o  303.210   41.627   2.5730   0.6158   3.0494   0.9836   2.2659   0.7897  325.047   61.098  281.374   56.554 43.67319 83.25458 
1 1 1    6   48   16 o  308.249   57.994   3.0259   0.8539   2.7937   1.7813   3.0952   0.9729  289.075   99.260  327.424   60.007 -38.34851 115.9886 
1 1 1    6   48   18 o  725.440   39.787   14.732   1.4017   14.655   1.7262   14.882   2.4016  732.975   45.808  717.906   65.067 15.06915 79.57414 
1 1 1    6   48   20 o  162.096   39.829   0.6003   0.4281   1.1192   0.6518   0.2065   0.5678  195.951   59.482  128.241   52.986 67.70967 79.65897 
1 1 1    6   48   22 o  195.673   39.521   1.0602   0.4584   1.7515   0.6664   0.4396   0.6314  245.168   54.303  146.179   57.435 98.98882 79.04170 
1 1 1    6   48   24 o  327.312   42.379   3.1426   0.6975   3.4421   1.0082   2.8677   0.9660  346.168   56.651  308.455   63.044 37.71298 84.75742 
1 1 1    6   48   26 o  259.723   43.778   2.0636   0.5782   1.8138   0.8098   2.3235   0.8259  241.895   64.089  277.552   59.654 -35.65656 87.55604 
1 1 1    6   48   28 f  254.999   59.388   2.1462   0.7975   2.0427   0.8910   2.5633   1.7885  252.670   67.361  257.328   97.828 -4.657639 118.7759 
1 1 1    6   49    1 o  148.481   42.513   0.3170   0.4852   0.2051   0.6025   0.5234   0.8183  132.364   54.626  164.598   65.158 -32.23389 85.02675 
1 1 1    6   49    3 o  537.159   51.003   8.0974   1.3329   7.5714   1.6230   9.1873   2.3363  519.964   60.712  554.354   81.973 -34.38928 102.0068 
1 1 1    6   49    5 o  215.804   51.273   1.3380   0.6446   1.4275   0.7592   1.1071   1.2199  221.482   63.431  210.126   80.575 11.35597 102.5466 
1 1 1    6   49    7 o  173.593   48.973   0.5613   0.6790   0.9105   0.8648   0.0000   1.0964  188.059   68.694  159.128   69.817 28.93044 97.94512 
1 1 1    6   49    9 o  149.009   39.939   0.4881   0.4308   0.0000   0.7773   0.7046   0.5176  136.303   59.318  161.714   53.497 -25.41095 79.87812 
1 1 1    6   49   11 o  263.687   53.726   1.8489   0.6519   2.7350   1.4616   1.6288   0.7283  291.137   89.217  236.238   59.884 54.89868 107.4516 
1 1 1    6   49   13 o  638.214   51.979   11.408   1.5041   13.536   2.9872   10.685   1.7409  657.160   88.415  619.267   54.681 37.89331 103.9574 
1 1 1    6   49   15 o  171.654   44.579   0.7418   0.5170   0.8700   0.7498   0.6255   0.7139  180.123   64.204  163.186   61.863 16.93715 89.15814 
1 1 1    6   49   17 o  734.283   38.429   15.134   1.4496   15.914   2.0694   14.381   2.0313  753.962   53.385  714.603   55.290 39.35889 76.85699 
1 1 1    6   49   19 o  489.568   39.619   6.8212   0.9892   7.7835   1.4070   5.8806   1.3911  527.083   51.923  452.053   59.856 75.03036 79.23801 
1 1 1    6   49   21 o  269.684   39.829   2.0911   0.5759   3.6463   0.8617   0.8352   0.7743  363.004   46.170  176.365   64.914 186.6387 79.65851 
1 1 1    6   49   23 f  355.027   44.194   3.8258   0.7707   2.9124   1.1011   4.7030   1.0790  302.864   71.804  407.191   51.543 -104.3269 88.38802 
1 1 1    6   49   25 f  417.419   39.559   5.0762   0.8489   4.9766   1.1923   5.1786   1.2088  413.093   56.141  421.744   55.747 -8.650879 79.11707 
1 1 1    6   50    0 o  316.020  111.127   3.7170   1.6380   0.0000   0.0000   3.7170   1.6380  316.020  111.127  316.020  111.127 -0.000000 0.000000 
1 1 1    6   50    2 o  299.333   64.624   2.9004   1.0859   2.5936   1.4799   3.2582   1.5984  283.571   90.206  315.094   92.564 -31.52347 129.2488 
1 1 1    6   50    4 o  327.879   54.256   3.4970   0.8963   2.4888   1.5530   4.0005   1.0975  277.253   92.703  378.505   56.400 -101.2526 108.5116 
1 1 1    6   50    6 o  179.873   47.687   0.7543   0.5433   0.9643   1.0535   0.6782   0.6342  196.168   74.962  163.578   58.967 32.59001 95.37477 
1 1 1    6   50    8 o  427.698   57.045   5.1358   1.2544   0.0000   0.0000   5.1358   1.2544  ?   ?   427.698   57.045      ?      ? 
1 1 1    6   50   10 o  267.390   51.234   2.2239   0.7373   2.6698   1.0066   1.7078   1.0828  298.461   67.218  236.319   77.339 62.14201 102.4675 
1 1 1    6   50   12 o  469.659   63.449   7.1653   1.4269   6.8604   2.3744   7.3376   1.7853  440.585  106.091  498.732   69.627 -58.14761 126.8983 
1 1 1    6   50   14 o  226.393   42.274   1.5146   0.5496   0.6625   0.7826   2.3439   0.7721  167.765   64.489  285.022   54.677 -117.2564 84.54810 
1 1 1    6   50   16 o  205.501   43.263   1.2549   0.4883   1.2389   0.7498   1.2666   0.6434  204.016   64.128  206.985   58.090 -2.968567 86.52689 
1 1 1    6   50   18 o  551.726   33.597   8.4625   0.9514   8.3556   1.3786   8.5598   1.3148  547.071   49.014  556.382   45.963 -9.311279 67.19315 
1 1 1    6   50   20 o  586.292   39.664   9.9097   1.1935   9.8028   1.7302   10.007   1.6486  581.202   57.902  591.383   54.223 -10.18097 79.32707 
1 1 1    6   50   22 o  322.567   44.082   3.1673   0.7040   3.1957   1.0194   3.1413   0.9734  322.921   63.664  322.214   60.991 0.7071228 88.16425 
1 1 1    6   50   24 o  236.883   41.714   1.7587   0.5766   0.7345   0.8427   2.6607   0.7908  169.254   66.398  304.512   50.511 -135.2581 83.42754 
1 1 1    6   51    1 o  993.737   59.078   30.608   3.0135   32.919   4.3436   28.464   4.1843  1033.49   81.746  953.983   85.312 79.50800 118.1550 
1 1 1    6   51    3 o  241.242   57.081   1.7943   0.8293   1.9468   1.2404   1.6711   1.1152  248.778   82.840  233.706   78.552 15.07132 114.1621 
1 1 1    6   51    5 o  507.267   65.265   8.6037   1.6106   6.5277   2.3938   10.320   2.1769  425.518  108.952  589.017   71.887 -163.4990 130.5307 
1 1 1    6   51    7 o  307.661   78.417   2.9947   1.2440   0.0000   0.0000   2.9947   1.2440  ?   ?   307.661   78.417      ?      ? 
1 1 1    6   51    9 o  450.452   51.404   5.7847   1.1030   3.4971   1.4092   9.4035   1.7724  328.375   83.331  572.529   60.212 -244.1539 102.8084 
1 1 1    6   51   11 o  274.792   45.032   2.2957   0.6591   1.4179   0.9454   3.1257   0.9192  216.430   72.329  333.154   53.668 -116.7235 90.06472 
1 1 1    6   51   13 o  205.664   39.397   1.2412   0.4430   1.6685   0.6291   0.8208   0.6240  239.713   52.499  171.615   58.755 68.09802 78.79302 
1 1 1    6   51   15 o  665.779   33.292   12.301   1.1384   13.085   1.6372   11.568   1.5840  687.049   46.349  644.510   47.803 42.53894 66.58347 
1 1 1    6   51   17 o  287.707   39.115   2.4172   0.5659   2.2109   0.8082   2.6158   0.7927  271.189   59.591  304.225   50.682 -33.03592 78.22917 
1 1 1    6   51   19 o  632.415   33.590   11.234   1.0897   12.222   1.5625   10.300   1.5205  661.171   45.966  603.658   48.994 57.51324 67.18092 
1 1 1    6   51   21 o  420.003   36.873   5.0254   0.7901   4.6000   1.0417   5.6016   1.2124  400.696   50.564  439.310   53.681 -38.61435 73.74551 
1 1 1    6   52    0 o  419.761  113.856   6.1458   2.1239   0.0000   0.0000   6.1458   2.1239  419.761  113.856  419.761  113.856 -0.000000 0.000000 
1 1 1    6   52    2 o  364.604   55.555   3.9253   0.9732   5.3833   1.6851   3.1956   1.1921  409.368   82.907  319.841   73.971 89.52670 111.1093 
1 1 1    6   52    4 o  673.862   49.896   13.170   1.6376   15.151   2.8658   12.209   1.9955  696.343   80.050  651.381   59.586 44.96191 99.79171 
1 1 1    6   52    6 o  421.839   56.299   7.0408   1.2027   2.0237   2.0227   9.7848   1.4959  250.676  101.345  593.002   49.066 -342.3267 112.5975 
1 1 1    6   52    8 o  394.849   50.592   4.9818   0.9679   2.8676   1.3839   7.0064   1.3543  291.518   86.269  498.180   52.875 -206.6624 101.1836 
1 1 1    6   52   10 o  554.230   40.971   8.8296   1.1655   9.4413   1.7067   8.2951   1.5955  572.069   58.027  536.391   57.857 35.67743 81.94234 
1 1 1    6   52   12 o  505.586   37.881   7.2663   0.9660   7.3738   1.5182   7.1932   1.2523  503.845   58.608  507.326   48.011 -3.481079 75.76261 
1 1 1    6   52   14 o  310.935   36.714   2.7670   0.5696   3.2444   0.8322   2.3463   0.7813  340.295   47.567  281.576   55.939 58.71896 73.42864 
1 1 1    6   52   16 o  161.436   39.833   0.7277   0.4065   0.7543   0.5759   0.7011   0.5740  163.493   56.422  159.380   56.242 4.113602 79.66552 
1 1 1    6   52   18 o  464.167   34.702   6.1391   0.8277   6.3477   1.1714   5.9311   1.1698  472.861   48.182  455.473   49.954 17.38770 69.40409 
1 1 1    6   53    1 o  446.627   58.817   6.4946   1.2184   6.5497   1.4802   6.3787   2.1457  473.310   60.827  419.944  100.687 53.36597 117.6337 
1 1 1    6   53    3 o  406.233   60.367   5.2941   1.1594   5.0092   1.3943   5.9325   2.0874  409.090   66.293  403.375  100.906 5.714478 120.7340 
1 1 1    6   53    5 o  255.810   58.846   1.9579   0.8367   1.4777   1.0019   3.0645   1.5209  217.444   74.451  294.176   91.152 -76.73233 117.6928 
1 1 1    6   53    7 o  163.583   46.869   0.5468   0.5696   0.5141   0.6746   0.6280   1.0628  151.801   59.450  175.364   72.475 -23.56235 93.73869 
1 1 1    6   53    9 f  336.453   59.627   4.2950   1.0799   4.9772   1.2780   2.5920   2.0192  410.956   60.488  261.951  102.775 149.0045 119.2544 
1 1 1    6   53   11 f  683.005   34.350   13.200   1.2021   12.280   1.7199   14.079   1.6809  656.619   50.947  709.392   46.089 -52.77240 68.70012 
1 1 1    6   53   13 o  280.316   40.508   2.6734   0.6483   0.5082   0.9827   4.3417   0.8626  164.861   69.039  395.770   42.394 -230.9086 81.01631 
1 1 1    6   53   15 o  143.043   38.067   0.5009   0.3746   0.5809   0.5922   0.4475   0.4837  150.415   56.494  135.671   51.037 14.74466 76.13401 
1 1 1    6   54    0 o  128.218   55.627   0.5338   0.7003   0.5874   1.0642   0.4928   0.9301  132.417   81.234  124.019   76.018 0.000000 0.000000 
1 1 1    6   54    2 o  279.980   45.449   2.4537   0.6737   3.3058   0.9472   1.5818   0.9582  338.186   54.480  221.774   72.761 116.4124 90.89713 
1 1 1    6   54    4 o  443.228   44.334   5.8767   1.0079   6.4326   1.4599   5.3706   1.3931  464.806   61.094  421.649   64.263 43.15659 88.66878 
1 1 1    6   54    6 o  716.140   41.612   15.130   1.5306   16.053   2.2147   14.286   2.1176  737.745   58.389  694.535   59.305 43.21014 83.22480 
1 1 1    6   54    8 o  380.433   48.530   4.7294   0.8953   2.5490   1.2670   6.9036   1.2652  269.284   83.155  491.582   50.059 -222.2986 97.06065 
1 1 1    6   54   10 o  724.308   57.054   16.563   1.9487   15.096   2.3117   20.165   3.6225  703.005   63.958  745.610   94.500 -42.60486 114.1090 
1 1 1    7    0    1 o  1166.12   67.609   35.432   4.0222   35.432   4.0222   0.0000   0.0000  1166.12   67.609  1166.12   67.609 -0.000000 0.000000 
1 1 1    7    0    3 o  1094.81   43.081   31.065   2.4027   33.185   3.5387   29.252   3.2728  1129.55   61.348  1060.08   60.501 0.000000 0.000000 
1 1 1    7    0    5 o  356.414   43.447   3.5544   0.7237   3.4599   1.0395   3.6433   1.0082  350.181   64.083  362.646   58.687 0.000000 0.000000 
1 1 1    7    0    7 o  1105.11   37.874   31.695   2.1399   32.102   3.0087   31.278   3.0442  1112.48   52.875  1097.75   54.241 0.000000 0.000000 
1 1 1    7    0    9 o  523.256   39.743   7.3023   1.0376   7.0131   1.4738   7.5867   1.4611  512.062   57.887  534.451   54.471 -0.000000 0.000000 
1 1 1    7    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0   13 o  1071.12   38.905   29.821   2.1292   30.103   2.9960   29.533   3.0266  1076.40   54.456  1065.83   55.577 0.000000 0.000000 
1 1 1    7    0   15 o  496.961   41.354   6.6537   1.0123   6.0578   1.4380   7.2392   1.4253  472.571   62.174  521.350   54.543 -0.000000 0.000000 
1 1 1    7    0   17 o  250.656   49.694   1.9634   0.5546   1.8801   0.7852   2.0463   0.7833  243.005   72.227  258.305   68.273 -0.000000 0.000000 
1 1 1    7    0   19 o  1308.57   39.368   44.498   2.6374   43.639   3.7086   45.377   3.7514  1295.67   55.911  1321.48   55.438 0.000000 0.000000 
1 1 1    7    0   21 o  648.243   40.604   11.108   1.3273   11.704   1.8856   10.522   1.8686  666.334   55.950  630.151   58.858 -0.000000 0.000000 
1 1 1    7    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0   25 o  478.447   43.494   6.2232   1.0073   6.9466   1.4151   5.4800   1.4343  510.265   55.618  446.629   66.885 0.000000 0.000000 
1 1 1    7    0   27 o  288.973   71.030   2.5061   0.9138   2.5061   0.9138   0.0000   0.0000  288.973   71.030  288.973   71.030 0.000000 0.000000 
1 1 1    7    0   29 o  1098.16   57.025   31.355   3.1998   31.355   3.1998   0.0000   0.0000  1098.16   57.025  1098.16   57.025 0.000000 0.000000 
1 1 1    7    0   31 o  769.217   58.033   15.529   2.2650   15.529   2.2650   0.0000   0.0000  769.217   58.033  769.217   58.033 0.000000 0.000000 
1 1 1    7    0   33 o  983.384   57.748   25.232   2.8966   0.0000   0.0000   25.232   2.8966  983.384   57.748  983.384   57.748 -0.000000 0.000000 
1 1 1    7    0   35 o   65.714   42.321   0.0000   0.3296   0.0000   0.0000   0.0000   0.3296   65.714   42.321   65.714   42.321 -0.000000 0.000000 
1 1 1    7    0   37 o  190.575   75.776   1.3013   0.7171   1.3013   0.7171   0.0000   0.0000  190.575   75.776  190.575   75.776 0.000000 0.000000 
1 1 1    7    0   39 o  990.775   41.383   25.500   2.0996   25.500   2.0996   0.0000   0.0000  990.775   41.383  990.775   41.383 0.000000 0.000000 
1 1 1    7    0   41 o  1106.75   41.110   31.829   2.3319   0.0000   0.0000   31.829   2.3319  1106.75   41.110  1106.75   41.110 -0.000000 0.000000 
1 1 1    7    0   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0   45 o  345.750   75.279   3.5601   1.1725   0.0000   0.0000   3.5601   1.1725  345.750   75.279  345.750   75.279 -0.000000 0.000000 
1 1 1    7    0   47 o  825.659   60.515   18.286   2.5371   18.286   2.5371   0.0000   0.0000  825.659   60.515  825.659   60.515 0.000000 0.000000 
1 1 1    7    0   49 o  173.350   60.493   1.0310   0.4877   0.0000   0.0000   1.0310   0.4877  173.350   60.493  173.350   60.493 -0.000000 0.000000 
1 1 1    7    0   51 o  1210.51   42.378   38.498   2.6301   38.498   2.6301   0.0000   0.0000  1210.51   42.378  1210.51   42.378 0.000000 0.000000 
1 1 1    7    0   53 o  355.882   77.495   3.8671   1.2424   3.8671   1.2424   0.0000   0.0000  355.882   77.495  355.882   77.495 0.000000 0.000000 
1 1 1    7    0   55 f  779.901   43.587   16.220   1.7352   0.0000   0.0000   16.220   1.7352  779.901   43.587  779.901   43.587 -0.000000 0.000000 
1 1 1    7    0   57 o  137.649   60.632   0.7361   0.4500   0.0000   0.0000   0.7361   0.4500  137.649   60.632  137.649   60.632 -0.000000 0.000000 
1 1 1    7    0   59 o  201.136   61.395   1.3613   0.5546   1.3613   0.5546   0.0000   0.0000  201.136   61.395  201.136   61.395 0.000000 0.000000 
1 1 1    7    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1    2 o  1897.40   32.305   92.837   3.1511   94.375   4.4886   91.343   4.4247  1912.89   45.640  1881.90   45.732 30.99365 64.60978 
1 1 1    7    1    4 o  1666.89   27.936   71.633   2.3929   74.138   3.3796   69.116   3.3886  1696.20   38.754  1637.59   40.248 58.60510 55.87265 
1 1 1    7    1    6 o  1325.39   26.601   45.249   1.8119   43.399   2.5410   47.163   2.5843  1297.80   38.083  1352.99   37.152 -55.19336 53.20290 
1 1 1    7    1    8 o  1062.64   26.687   29.101   1.4575   29.969   2.0636   28.237   2.0589  1078.49   37.217  1046.78   38.257 31.70862 53.37301 
1 1 1    7    1   10 o  931.479   33.830   22.925   1.5081   20.895   2.6096   23.942   1.8479  899.059   56.457  963.899   37.288 -64.84003 67.65918 
1 1 1    7    1   12 o  2207.13   38.541  125.966   4.3726  127.751   6.1582  124.152   6.2098  2223.04   53.881  2191.22   55.122 31.82397 77.08150 
1 1 1    7    1   14 o  561.063   27.354   8.1249   0.7881   8.5953   1.1164   7.6576   1.1127  577.315   37.614  544.812   39.726 32.50214 54.70762 
1 1 1    7    1   16 o  1292.15   27.473   43.123   1.8247   42.096   2.5804   44.150   2.5807  1276.70   39.312  1307.61   38.388 -30.91296 54.94596 
1 1 1    7    1   18 o  1826.91   27.621   86.322   2.5920   90.644   3.6707   82.023   3.6606  1872.78   38.123  1781.03   39.978 91.75793 55.24102 
1 1 1    7    1   20 o  1345.23   27.765   46.778   1.9189   48.931   2.7175   44.636   2.7100  1376.27   38.405  1314.20   40.108 62.07349 55.53057 
1 1 1    7    1   22 f  932.933   34.080   22.465   1.5436   22.609   2.6676   22.393   1.8927  934.306   55.534  931.560   39.518 2.745483 68.15963 
1 1 1    7    1   24 o  1882.60   39.504   91.654   3.8233   93.175   5.4389   90.168   5.3755  1898.07   55.735  1867.14   55.998 30.92810 79.00799 
1 1 1    7    1   26 o  634.014   34.113   10.224   1.0579   9.8967   1.2988   10.871   1.8238  619.524   40.776  648.504   54.701 -28.97925 68.22662 
1 1 1    7    1   28 o  1265.14   34.579   41.485   2.1235   41.788   2.6100   40.892   3.6524  1272.99   39.880  1257.29   56.503 15.70276 69.15891 
1 1 1    7    1   30 o  1767.84   40.059   80.944   3.6369   85.719   5.1633   76.242   5.1236  1819.93   55.183  1715.75   58.083 104.1818 80.11758 
1 1 1    7    1   32 o  511.729   40.630   6.8048   1.0650   6.1355   1.5060   7.4743   1.5063  486.286   60.237  537.171   54.542 -50.88449 81.26093 
1 1 1    7    1   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1   36 o  1097.28   35.481   31.499   1.8833   31.960   2.3120   30.590   3.2465  1111.27   40.467  1083.29   58.291 27.98621 70.96106 
1 1 1    7    1   38 o  561.433   34.604   7.8738   0.9560   7.1306   1.1696   9.3698   1.6595  523.942   43.420  598.924   53.893 -74.98279 69.20824 
1 1 1    7    1   40 o  944.907   41.644   23.548   2.0183   21.694   2.8513   25.409   2.8573  906.691   61.166  983.123   56.530 -76.43140 83.28852 
1 1 1    7    1   42 o  389.244   37.801   4.0480   0.7108   3.8316   1.2176   4.1599   0.8754  379.472   62.408  399.015   42.673 -19.54315 75.60240 
1 1 1    7    1   44 o  243.001   40.997   1.5631   0.5697   2.6721   0.8219   0.5375   0.7904  317.887   50.291  168.116   64.760 149.7718 81.99406 
1 1 1    7    1   46 o  909.878   38.493   22.942   1.6611   24.478   2.0401   19.919   2.8614  964.459   41.142  855.297   65.071 109.1619 76.98616 
1 1 1    7    1   48 o  740.016   39.025   15.270   1.3613   16.157   1.6606   13.451   2.3772  781.756   41.316  698.275   66.218 83.48132 78.04987 
1 1 1    7    1   50 o  132.542   33.496   0.3865   0.3119   0.6330   0.3991   0.0000   0.4998  153.030   46.568  112.054   48.159 40.97565 66.99187 
1 1 1    7    1   52 o  219.841   46.459   1.3865   0.5662   1.2421   0.7802   1.5472   0.8230  208.959   65.373  230.722   66.032 -21.76335 92.91840 
1 1 1    7    1   54 o  314.613   47.814   2.9578   0.7733   1.9706   1.0934   3.9462   1.0940  253.420   77.065  375.806   56.619 -122.3864 95.62804 
1 1 1    7    1   56 o  415.895   31.604   4.7403   0.6757   4.7124   0.9583   4.7680   0.9529  414.516   44.969  417.273   44.418 -2.757263 63.20715 
1 1 1    7    1   58 o  131.854   33.676   0.4345   0.2947   0.3511   0.4268   0.5106   0.4075  125.558   47.776  138.150   47.472 -12.59218 67.35118 
1 1 1    7    2    1 o  1494.18   40.534   57.114   2.9369   59.421   5.1290   55.989   3.5823  1515.16   65.841  1473.19   47.298 41.97437 81.06883 
1 1 1    7    2    3 o  1894.22   29.412   92.475   2.8626   92.971   4.1266   92.015   3.9743  1899.04   42.266  1889.41   40.913 9.621582 58.82385 
1 1 1    7    2    5 o  1304.78   27.321   43.838   1.8318   42.957   2.5407   44.792   2.6434  1291.16   38.273  1318.40   38.998 -27.23450 54.64145 
1 1 1    7    2    7 o  1955.75   26.749   98.564   2.6894   99.057   3.7842   98.061   3.8228  1960.73   37.539  1950.78   38.116 9.948364 53.49778 
1 1 1    7    2    9 o  1758.84   32.485   78.701   2.7841   83.259   4.8333   76.438   3.4058  1795.47   52.360  1722.20   38.465 73.26514 64.97034 
1 1 1    7    2   11 o  1330.24   38.265   45.611   2.6170   45.611   2.6170   0.0000   0.0000  1330.24   38.265  ?   ?       ?      ? 
1 1 1    7    2   13 o  1740.81   33.333   78.387   2.8123   77.897   4.8622   78.633   3.4475  1735.35   54.497  1746.27   38.400 -10.91113 66.66675 
1 1 1    7    2   15 o  1056.33   27.434   28.797   1.4899   28.692   2.1054   28.902   2.1088  1054.40   38.837  1058.27   38.758 -3.866089 54.86850 
1 1 1    7    2   17 f  641.877   27.668   10.651   0.9126   10.231   1.2889   11.073   1.2922  629.116   39.850  654.637   38.395 -25.52148 55.33693 
1 1 1    7    2   19 o  448.045   36.211   5.5190   0.7625   6.1151   0.9401   4.3727   1.3036  486.489   37.587  409.600   61.904 76.88864 72.42138 
1 1 1    7    2   21 o  909.763   34.839   21.973   1.5194   23.059   1.8677   19.846   2.6127  945.113   38.437  874.412   58.118 70.70032 69.67844 
1 1 1    7    2   23 f  1540.36   39.419   61.193   3.1218   61.193   3.1218   0.0000   0.0000  1540.36   39.419  ?   ?       ?      ? 
1 1 1    7    2   25 o  2423.61   33.754  149.830   3.9943  146.020   4.9007  157.368   6.8936  2379.78   40.055  2467.44   54.341 -87.65747 67.50835 
1 1 1    7    2   27 o  698.849   35.195   12.887   1.1837   13.442   1.4571   11.810   2.0297  722.059   39.250  675.638   58.431 46.42114 70.39001 
1 1 1    7    2   29 f  1045.86   33.925   27.734   1.7385   26.607   2.1347   29.953   2.9959  1015.59   40.883  1076.13   54.149 -60.54364 67.84924 
1 1 1    7    2   31 o  1912.42   31.209   89.701   2.7204   84.639   3.1424  104.840   5.4349  1812.05   33.731  2012.79   52.520 -200.7462 62.41900 
1 1 1    7    2   33 o  1116.62   40.346   32.374   2.3127   30.229   3.2609   34.545   3.2806  1079.06   58.778  1154.18   55.285 -75.11646 80.69265 
1 1 1    7    2   35 o  381.898   42.860   3.8635   0.8182   3.4223   1.1574   4.3043   1.1568  356.792   65.511  407.004   55.283 -50.21246 85.71965 
1 1 1    7    2   37 o  566.264   41.682   8.4145   1.2037   9.6962   1.7118   7.1608   1.6931  609.756   54.604  522.773   62.993 86.98364 83.36491 
1 1 1    7    2   39 o  597.163   41.639   9.3992   1.2690   8.0627   1.7845   10.767   1.8050  553.202   62.743  641.124   54.760 -87.92188 83.27840 
1 1 1    7    2   41 o  212.964   38.675   1.3206   0.4389   1.6666   0.5516   0.7236   0.7245  249.012   44.729  176.917   63.107 72.09467 77.35078 
1 1 1    7    2   43 o  515.555   42.466   7.0845   1.1238   7.5946   1.6006   6.5885   1.5783  534.402   58.257  496.709   61.804 37.69278 84.93288 
1 1 1    7    2   45 o  681.736   35.626   11.716   1.1929   14.451   2.0888   10.392   1.4531  735.674   55.227  627.797   45.021 107.8777 71.25221 
1 1 1    7    2   47 o  930.736   30.013   22.888   1.4361   23.174   2.0305   22.602   2.0313  936.723   42.162  924.749   42.725 11.97418 60.02551 
1 1 1    7    2   49 o  741.472   30.521   14.628   1.1574   12.836   1.6234   16.481   1.6505  693.865   45.507  789.078   40.684 -95.21240 61.04126 
1 1 1    7    2   51 o  494.422   45.593   7.5030   0.9734   8.5784   1.1865   5.2893   1.7023  568.083   40.623  420.761   81.636 147.3219 91.18504 
1 1 1    7    2   53 o  224.444   39.007   1.6048   0.5125   2.2714   0.6319   0.3233   0.8760  290.915   42.246  157.973   65.585 132.9421 78.01398 
1 1 1    7    2   55 o  140.217   33.566   0.5077   0.2956   0.6649   0.4064   0.3311   0.4307  154.643   46.971  125.792   47.964 28.85147 67.13295 
1 1 1    7    2   57 o  199.132   34.497   1.1225   0.3630   0.6922   0.4909   1.6414   0.5390  157.639   52.099  240.625   45.233 -82.98624 68.99476 
1 1 1    7    2   59 o  363.915   33.341   3.7453   0.6221   3.3925   0.8628   4.1272   0.8978  345.016   48.639  382.814   45.614 -37.79797 66.68164 
1 1 1    7    3    0 o  257.576   85.286   2.1927   1.0043   0.0000   0.0000   2.1927   1.0043  257.576   85.286  257.576   85.286 -0.000000 0.000000 
1 1 1    7    3    2 o  2090.38   30.924  112.677   3.3091  112.625   4.9124  112.720   4.4773  2089.64   45.725  2091.12   41.646 -1.482422 61.84754 
1 1 1    7    3    4 o  1627.16   28.322   68.299   2.3665   69.761   3.2897   66.731   3.4068  1645.34   38.890  1608.97   41.184 36.37610 56.64425 
1 1 1    7    3    6 o  2757.67   27.319  196.035   3.8707  197.964   5.3918  193.983   5.5602  2771.81   37.835  2743.52   39.420 28.28516 54.63899 
1 1 1    7    3    8 o  1858.47   32.837   88.736   2.9649   90.256   5.1312   87.973   3.6328  1869.29   53.391  1847.65   38.242 21.63965 65.67435 
1 1 1    7    3   10 o  1703.63   33.246   74.626   2.7372   74.093   3.3372   75.720   4.7845  1695.51   38.284  1711.76   54.366 -16.24609 66.49269 
1 1 1    7    3   12 o  1089.90   38.254   30.763   2.1395   28.782   3.0397   32.708   3.0120  1054.84   56.050  1124.96   52.076 -70.12195 76.50828 
1 1 1    7    3   14 o  1152.99   33.262   34.409   1.8640   34.524   2.2919   34.183   3.2036  1156.85   38.534  1149.13   54.226 7.722900 66.52328 
1 1 1    7    3   16 o  656.850   33.297   11.085   1.0663   10.910   1.3093   11.432   1.8376  649.877   39.187  663.822   53.842 -13.94470 66.59312 
1 1 1    7    3   18 o  1378.80   34.242   50.054   2.2746   51.577   2.7936   47.058   3.9181  1412.59   38.466  1345.01   56.660 67.58557 68.48372 
1 1 1    7    3   20 o  2303.41   33.847  137.410   3.7853  137.425   4.6459  137.380   6.5288  2306.40   39.180  2300.42   55.203 5.986328 67.69363 
1 1 1    7    3   22 o  1604.38   55.580   66.653   4.5845   66.653   4.5845   0.0000   0.0000  1604.38   55.580  ?   ?       ?      ? 
1 1 1    7    3   24 o  1048.67   39.472   28.455   2.1241   30.701   3.0235   26.266   2.9848  1089.76   53.965  1007.59   57.619 82.17511 78.94416 
1 1 1    7    3   26 o  618.096   32.361   9.8873   0.8935   9.9165   1.0345   9.8015   1.7730  620.493   32.429  615.700   56.012 4.793457 64.72250 
1 1 1    7    3   28 o  1688.41   32.524   73.936   2.4515   74.293   2.8388   72.888   4.8621  1698.24   32.513  1678.57   56.339 19.66589 65.04787 
1 1 1    7    3   30 o  2836.73   34.391  207.117   4.7553  205.332   5.8468  210.606   8.1728  2821.09   40.312  2852.37   55.731 -31.27954 68.78212 
1 1 1    7    3   32 o  156.303   35.162   0.5854   0.3041   0.5034   0.3720   0.7507   0.5283  141.316   45.254  171.290   53.828 -29.97391 70.32307 
1 1 1    7    3   34 o  904.974   40.861   21.163   1.9011   21.163   1.9011   0.0000   0.0000  904.974   40.861  ?   ?       ?      ? 
1 1 1    7    3   36 o  533.520   40.953   7.4210   1.1231   7.4439   1.5730   7.3973   1.6039  534.443   57.248  532.597   58.576 1.846191 81.90524 
1 1 1    7    3   38 o  792.667   35.426   16.334   1.3662   16.237   1.6784   16.525   2.3520  790.968   41.273  794.365   57.590 -3.397034 70.85287 
1 1 1    7    3   40 o  940.196   36.541   23.678   1.6462   24.706   2.0210   21.651   2.8380  974.668   40.331  905.725   60.947 68.94275 73.08282 
1 1 1    7    3   42 o  457.544   37.929   5.7151   0.8300   6.1210   1.0265   4.9488   1.4105  484.226   41.232  430.862   63.674 53.36353 75.85826 
1 1 1    7    3   44 o  886.925   41.681   20.624   1.9006   20.624   1.9006   0.0000   0.0000  886.925   41.681  ?   ?       ?      ? 
1 1 1    7    3   46 o  341.141   40.896   3.2441   0.6495   3.3715   0.7959   2.9903   1.1236  357.446   43.310  324.835   69.384 32.61032 81.79229 
1 1 1    7    3   48 o  487.652   31.737   6.3573   0.7835   5.0630   1.0967   7.7065   1.1197  435.099   49.026  540.205   40.316 -105.1063 63.47403 
1 1 1    7    3   50 o  594.171   30.593   9.4033   0.9343   9.2001   1.3228   9.6056   1.3199  587.511   43.793  600.831   42.730 -13.31915 61.18556 
1 1 1    7    3   52 o  635.609   44.371   11.302   1.4492   11.811   2.0758   10.818   2.0241  650.092   62.108  621.127   63.385 28.96521 88.74178 
1 1 1    7    3   54 o  187.474   43.105   0.9426   0.4813   0.6584   0.6372   1.3203   0.7346  162.417   59.021  212.531   62.840 -50.11433 86.21059 
1 1 1    7    3   56 o  156.179   35.489   0.6846   0.3668   1.0216   0.4481   0.0000   0.6386  189.146   46.424  123.212   53.690 65.93384 70.97787 
1 1 1    7    3   58 o  114.962   32.624   0.2128   0.3007   0.3545   0.3881   0.0000   0.4757  123.164   45.840  106.760   46.432 16.40402 65.24718 
1 1 1    7    4    1 o  2182.51   42.713  123.167   4.7927  123.334   6.7894  123.002   6.7665  2183.97   60.466  2181.05   60.343 2.916260 85.42554 
1 1 1    7    4    3 o  1616.68   29.008   67.317   2.4102   65.101   3.3552   69.679   3.4643  1589.21   41.065  1644.15   40.984 -54.93420 58.01699 
1 1 1    7    4    5 o  1421.10   28.247   52.097   2.0609   53.078   2.8568   51.032   2.9760  1435.18   38.717  1407.02   41.140 28.16125 56.49300 
1 1 1    7    4    7 f  2315.10   33.439  138.295   3.7838  138.290   6.4405  138.297   4.6758  2313.73   54.142  2316.47   39.261 -2.744385 66.87872 
1 1 1    7    4    9 o  2225.62   38.030  127.656   4.3516  127.656   4.3516   0.0000   0.0000  2225.62   38.030  ?   ?       ?      ? 
1 1 1    7    4   11 o  1775.72   32.601   80.864   2.8275   79.740   3.4796   83.049   4.8512  1758.76   38.481  1792.67   52.635 -33.91479 65.20203 
1 1 1    7    4   13 o  347.929   39.923   3.1894   0.6949   2.8417   0.9826   3.5372   0.9828  326.001   60.864  369.856   51.682 -43.85446 79.84667 
1 1 1    7    4   15 o  361.698   33.697   3.4132   0.5911   3.4736   0.7279   3.2963   1.0128  366.829   38.593  356.566   55.249 10.26291 67.39360 
1 1 1    7    4   17 o  753.237   34.181   14.958   1.2383   15.455   1.5196   13.977   2.1364  773.336   38.221  733.137   56.679 40.19946 68.36232 
1 1 1    7    4   19 o  1558.21   31.461   62.105   2.2059   61.320   2.5542   64.410   4.3755  1541.64   32.226  1574.78   54.043 -33.14050 62.92160 
1 1 1    7    4   21 o  889.829   34.686   20.906   1.4862   21.760   1.8297   19.249   2.5482  918.183   38.759  861.476   57.534 56.70648 69.37215 
1 1 1    7    4   23 f  1542.36   32.672   62.569   2.2335   63.739   2.5866   59.136   4.4287  1573.01   31.983  1511.72   56.982 61.28760 65.34450 
1 1 1    7    4   25 o  518.798   34.087   7.3004   0.7718   7.6524   0.8948   6.2775   1.5252  545.088   31.928  492.508   60.236 52.58069 68.17477 
1 1 1    7    4   27 o  1123.79   34.068   32.317   1.8697   31.694   2.2979   33.538   3.2164  1108.65   40.315  1138.94   54.930 -30.28418 68.13623 
1 1 1    7    4   29 o  1543.08   34.793   62.128   2.5999   63.377   3.1989   59.698   4.4624  1567.53   39.693  1518.63   57.154 48.90344 69.58565 
1 1 1    7    4   31 o  451.219   34.433   5.1412   0.7650   4.8596   0.9423   5.6857   1.3102  433.841   42.245  468.598   54.385 -34.75739 68.86530 
1 1 1    7    4   33 o  2267.00   56.928  133.377   6.6351  133.377   6.6351   0.0000   0.0000  2267.00   56.928  ?   ?       ?      ? 
1 1 1    7    4   35 o  1526.71   34.915   60.163   2.5969   59.552   3.1908   61.362   4.4696  1517.41   40.900  1536.02   56.598 -18.61743 69.82928 
1 1 1    7    4   37 o  1483.55   32.824   56.537   2.1858   55.863   2.5287   58.529   4.3474  1470.06   33.457  1497.05   56.483 -26.99304 65.64872 
1 1 1    7    4   39 o  575.269   38.283   9.1392   1.0372   10.059   1.2786   7.3693   1.7735  622.347   39.961  528.192   65.310 94.15485 76.56551 
1 1 1    7    4   41 o  867.613   35.317   19.255   1.4967   18.239   1.8279   21.321   2.6071  836.159   42.519  899.068   56.402 -62.90942 70.63348 
1 1 1    7    4   43 f  583.320   59.992   9.0730   1.7992   9.0730   1.7992   0.0000   0.0000  583.320   59.992  ?   ?       ?      ? 
1 1 1    7    4   45 o  880.842   42.085   20.856   1.9045   19.874   2.6795   21.858   2.7076  859.146   60.661  902.538   58.351 -43.39209 84.17068 
1 1 1    7    4   47 o  299.758   37.063   2.2564   0.5399   1.6807   0.6674   3.3462   0.9183  245.693   54.283  353.823   50.479 -108.1295 74.12620 
1 1 1    7    4   49 o  379.051   34.936   4.0031   0.6343   2.7932   0.9067   5.1628   0.8876  316.013   57.940  442.089   39.053 -126.0759 69.87244 
1 1 1    7    4   51 o  630.239   31.815   10.683   1.0127   13.230   1.4593   8.3167   1.4065  705.583   40.227  554.896   49.300 150.6871 63.62964 
1 1 1    7    4   53 o  296.354   40.749   2.2486   0.5901   1.5801   0.7240   3.5726   1.0188  233.328   60.011  359.380   55.142 -126.0521 81.49767 
1 1 1    7    4   55 o  611.245   31.853   10.200   1.0006   10.450   1.4099   9.9462   1.4203  619.406   44.273  603.084   45.808 16.32208 63.70561 
1 1 1    7    4   57 o  147.751   34.167   0.6171   0.3326   0.8839   0.3981   0.0000   0.6054  175.885   44.105  119.618   52.196 56.26637 68.33459 
1 1 1    7    5    0 o  461.793   75.476   5.9242   1.6482   0.0000   0.0000   5.9242   1.6482  461.793   75.476  461.793   75.476 -0.000000 0.000000 
1 1 1    7    5    2 o  960.538   38.562   22.990   1.7250   21.923   2.0236   25.824   3.2991  922.126   42.684  998.950   64.236 -76.82379 77.12460 
1 1 1    7    5    4 o  1412.85   37.569   50.604   2.4757   49.350   2.9209   53.805   4.6653  1383.64   41.060  1442.06   62.926 -58.42163 75.13750 
1 1 1    7    5    6 o  559.190   35.149   7.9392   0.9236   7.7527   1.0957   8.3969   1.7165  548.481   38.857  569.899   58.584 -21.41858 70.29882 
1 1 1    7    5    8 o  215.489   31.594   1.1958   0.3500   1.1958   0.3500   0.0000   0.0000  215.489   31.594  ?   ?       ?      ? 
1 1 1    7    5   10 o  1007.32   30.470   25.574   1.3879   24.940   1.6064   27.441   2.7560  984.049   31.752  1030.59   52.014 -46.54669 60.93987 
1 1 1    7    5   12 o  1167.69   30.243   34.184   1.6085   33.086   1.8665   37.352   3.1708  1133.27   32.036  1202.10   51.305 -68.82837 60.48505 
1 1 1    7    5   14 o  1109.01   31.661   32.149   1.5681   32.538   1.8197   31.027   3.0908  1123.63   31.499  1094.40   54.932 29.23633 63.32240 
1 1 1    7    5   16 o  794.065   31.264   16.223   1.1169   16.125   1.2952   16.508   2.2059  790.653   31.862  797.477   53.801 -6.823975 62.52783 
1 1 1    7    5   18 o  734.241   32.547   14.367   1.0573   14.782   1.2270   13.171   2.0833  756.935   31.529  711.547   56.949 45.38794 65.09428 
1 1 1    7    5   20 o  194.376   34.130   0.9591   0.3267   0.8186   0.4012   1.2357   0.5631  174.606   44.544  214.146   51.724 -39.54027 68.26041 
1 1 1    7    5   22 o  895.029   55.925   20.737   2.5734   20.737   2.5734   0.0000   0.0000  895.029   55.925  ?   ?       ?      ? 
1 1 1    7    5   24 o  150.492   32.304   0.5998   0.2704   0.6854   0.3345   0.4383   0.4594  159.976   40.602  141.008   50.255 18.96848 64.60742 
1 1 1    7    5   26 o  1989.97   33.726  100.524   3.2822   96.910   4.0253  107.693   5.6697  1938.68   40.385  2041.25   54.025 -102.5729 67.45150 
1 1 1    7    5   28 o  1222.29   34.389   38.603   2.0433   38.631   2.5109   38.547   3.5156  1223.91   39.904  1220.67   56.019 3.236816 68.77782 
1 1 1    7    5   30 o  2369.58   32.730  145.958   3.4533  146.883   3.9953  143.224   6.8667  2387.46   32.549  2351.70   56.793 35.76416 65.45959 
1 1 1    7    5   32 o  960.088   37.163   25.373   1.6741   28.264   2.0652   19.834   2.8589  1046.51   38.383  873.664   63.648 172.8475 74.32590 
1 1 1    7    5   34 o  480.869   37.113   6.6273   0.7551   7.2432   0.8770   4.8616   1.4848  529.940   32.188  431.798   66.884 98.14151 74.22645 
1 1 1    7    5   36 o  737.809   34.399   14.581   1.1147   15.024   1.2900   13.275   2.2147  762.684   32.898  712.935   60.421 49.74823 68.79716 
1 1 1    7    5   38 f  1874.69   34.034   93.540   2.8201   95.562   3.2661   87.614   5.5904  1921.97   33.053  1827.41   59.503 94.55908 68.06704 
1 1 1    7    5   40 o  902.103   36.665   21.891   1.5824   22.996   1.9442   19.723   2.7237  940.209   40.220  863.998   61.316 76.21112 73.32983 
1 1 1    7    5   42 o  1524.00   36.482   62.290   2.6745   64.539   3.2889   57.900   4.5951  1572.35   40.685  1475.65   60.568 96.70654 72.96439 
1 1 1    7    5   44 o  377.444   42.555   4.2422   0.7203   4.9905   0.8964   2.8779   1.2104  436.541   39.938  318.347   75.158 118.1943 85.11060 
1 1 1    7    5   46 o  490.418   47.106   6.7092   1.1118   8.9364   1.6050   4.6545   1.5416  577.571   54.050  403.266   77.165 174.3045 94.21143 
1 1 1    7    5   48 o  376.578   36.587   3.5015   0.6788   2.6756   0.8317   5.1496   1.1748  315.635   51.250  437.521   52.228 -121.8857 73.17329 
1 1 1    7    5   50 o  571.132   40.745   9.5210   1.0847   10.812   1.3493   7.1640   1.8235  638.097   41.131  504.168   70.349 133.9290 81.49033 
1 1 1    7    5   52 o  165.628   38.961   0.6005   0.4389   0.0000   0.6102   1.2441   0.6317  122.524   52.938  208.732   57.178 -86.20721 77.92104 
1 1 1    7    5   54 o  249.447   42.875   1.8596   0.5291   1.6570   0.9024   1.9657   0.6531  234.962   69.693  263.931   49.961 -28.96825 85.75079 
1 1 1    7    5   56 o  466.011   32.880   6.0397   0.7776   5.0546   1.1086   6.9940   1.0911  425.272   50.702  506.751   41.879 -81.47903 65.76083 
1 1 1    7    5   58 o  491.589   33.111   6.7922   0.8328   6.0453   1.1709   7.5570   1.1848  461.948   49.300  521.229   44.212 -59.28156 66.22100 
1 1 1    7    6    1 o  1238.99   33.738   39.568   2.0971   39.795   3.3589   39.423   2.6846  1241.39   52.629  1236.58   42.227 4.808105 67.47527 
1 1 1    7    6    3 o  4454.65   42.979  513.033   9.6087  512.351   12.317  514.094   15.358  4453.79   53.791  4455.51   67.046 -1.718262 85.95724 
1 1 1    7    6    5 o  1570.14   54.219   63.686   4.3768   63.686   4.3768   0.0000   0.0000  1570.14   54.219  ?   ?       ?      ? 
1 1 1    7    6    7 f  2550.32   38.774  167.632   5.0840  167.632   5.0840   0.0000   0.0000  2550.32   38.774  ?   ?       ?      ? 
1 1 1    7    6    9 o  2023.28   33.655  105.418   3.2701  104.965   3.9665  106.379   5.7778  2017.99   38.231  2028.55   55.400 -10.55835 67.31065 
1 1 1    7    6   11 o  648.203   38.303   10.889   1.2709   9.6684   1.7893   12.132   1.8054  611.260   56.935  685.145   51.254 -73.88434 76.60621 
1 1 1    7    6   13 o  496.624   33.592   6.4571   0.8071   6.6282   0.9940   6.1258   1.3830  506.891   38.141  486.357   55.308 20.53333 67.18446 
1 1 1    7    6   15 o  1642.78   31.360   69.812   2.3141   69.818   2.6853   69.796   4.5616  1645.39   31.743  1640.16   54.095 5.230103 62.72098 
1 1 1    7    6   17 o  1408.26   33.306   51.144   2.2879   50.596   2.8142   52.212   3.9290  1398.97   39.127  1417.54   53.911 -18.57141 66.61288 
1 1 1    7    6   19 o  121.871   29.067   0.3323   0.2135   0.2400   0.2723   0.4796   0.3440  106.425   38.598  137.318   43.471 -30.89264 58.13357 
1 1 1    7    6   21 o  334.570   60.312   2.9902   0.9993   2.9902   0.9993   0.0000   0.0000  334.570   60.312  ?   ?       ?      ? 
1 1 1    7    6   23 o  1802.81   33.543   82.786   2.9570   80.364   3.6310   87.557   5.0951  1765.33   40.007  1840.29   53.852 -74.95850 67.08604 
1 1 1    7    6   25 o  754.412   31.050   14.015   1.0638   13.317   1.2279   16.117   2.1306  719.013   33.216  789.810   52.470 -70.79712 62.09986 
1 1 1    7    6   27 o  1578.37   32.672   64.979   2.2931   65.665   2.6540   62.960   4.5547  1596.63   32.332  1560.10   56.785 36.52856 65.34414 
1 1 1    7    6   29 o  1512.85   32.369   58.906   2.1891   58.704   2.5315   59.505   4.3591  1509.42   32.621  1516.28   55.918 -6.856812 64.73723 
1 1 1    7    6   31 o  245.062   35.672   1.6221   0.3865   1.6634   0.4463   1.4985   0.7727  254.006   34.177  236.118   62.625 17.88759 71.34422 
1 1 1    7    6   33 o  199.919   48.266   1.0760   0.4905   1.0760   0.4905   0.0000   0.0000  199.919   48.266  ?   ?       ?      ? 
1 1 1    7    6   35 o  1722.19   35.577   78.308   2.9516   80.982   3.6287   73.081   5.0739  1769.47   39.888  1674.90   58.923 94.56763 71.15405 
1 1 1    7    6   37 o  594.769   31.856   8.6434   0.8674   8.0501   1.0025   10.410   1.7299  557.828   34.957  631.710   53.265 -73.88232 63.71152 
1 1 1    7    6   39 o  1043.54   34.507   29.376   1.5883   30.352   1.8440   26.573   3.1265  1082.63   33.130  1004.45   60.543 78.18274 69.01471 
1 1 1    7    6   41 o  919.877   34.554   22.634   1.4063   23.091   1.6296   21.299   2.7834  943.267   33.603  896.487   60.389 46.77960 69.10883 
1 1 1    7    6   43 o  613.149   60.475   10.042   1.9064   10.042   1.9064   0.0000   0.0000  613.149   60.475  ?   ?       ?      ? 
1 1 1    7    6   45 o  454.143   45.791   5.7363   1.0221   4.6631   1.4756   6.7261   1.4170  406.691   73.265  501.595   54.948 -94.90384 91.58115 
1 1 1    7    6   47 o  446.076   36.697   5.2477   0.8030   5.0494   0.9895   5.6302   1.3746  436.490   44.091  455.661   58.675 -19.17041 73.39462 
1 1 1    7    6   49 o  477.270   37.033   5.9694   0.8657   5.5779   1.0591   6.7576   1.5029  457.371   45.040  497.169   58.797 -39.79828 74.06590 
1 1 1    7    6   51 o  826.614   36.491   17.541   1.4786   15.399   1.7957   22.050   2.6055  757.042   46.136  896.186   56.550 -139.1434 72.98215 
1 1 1    7    6   53 o  212.280   53.689   1.2889   0.5863   1.2889   0.5863   0.0000   0.0000  212.280   53.689  ?   ?       ?      ? 
1 1 1    7    6   55 o  430.991   33.820   5.1705   0.7290   6.5306   1.0383   3.8485   1.0237  491.305   41.108  370.677   53.715 120.6281 67.63958 
1 1 1    7    6   57 o  239.134   34.972   1.6468   0.4236   2.0667   0.6030   1.2375   0.5953  274.145   42.781  204.123   55.336 70.02176 69.94484 
1 1 1    7    7    0 o  2679.88   80.160  262.109   6.8888   54.386   10.897  400.382   8.8907  1417.08  154.201  3942.68   43.873 0.000000 0.000000 
1 1 1    7    7    2 o  989.106   37.746   25.283   1.9183   25.878   2.6896   24.666   2.7369  1001.05   52.259  977.157   54.479 23.89813 75.49122 
1 1 1    7    7    4 o  1435.22   33.645   52.702   2.3975   51.463   3.0048   54.873   3.9772  1412.86   41.366  1457.58   53.073 -44.71350 67.28968 
1 1 1    7    7    6 o  2552.18   28.548  168.046   3.7416  171.100   5.1965  164.759   5.3916  2576.48   39.230  2527.89   41.485 48.59131 57.09613 
1 1 1    7    7    8 o  493.850   27.858   6.2878   0.7069   6.3036   0.9832   6.2709   1.0170  494.518   38.670  493.183   40.110 1.335052 55.71499 
1 1 1    7    7   10 o  276.867   40.665   2.0554   0.5690   2.4778   0.7895   1.5987   0.8209  309.704   49.586  244.031   64.465 65.67342 81.33010 
1 1 1    7    7   12 o  1025.64   33.777   27.698   1.6662   28.719   2.0464   25.689   2.8699  1055.23   37.719  996.042   56.043 59.19220 67.55425 
1 1 1    7    7   14 o  1132.47   33.860   33.948   1.8465   35.512   2.2768   30.943   3.1564  1172.88   37.758  1092.07   56.218 80.81702 67.72055 
1 1 1    7    7   16 o  501.908   33.455   6.5178   0.8175   6.4953   1.0053   6.5619   1.4046  501.277   39.008  502.540   54.363 -1.262604 66.91048 
1 1 1    7    7   18 o  476.137   33.754   5.8738   0.7829   5.8722   0.9640   5.8771   1.3416  476.647   39.338  475.627   54.863 1.019745 67.50878 
1 1 1    7    7   20 o  1015.92   55.660   26.758   2.9072   26.758   2.9072   0.0000   0.0000  1015.92   55.660  ?   ?       ?      ? 
1 1 1    7    7   22 o  328.508   41.580   2.8529   0.6815   3.3747   0.9751   2.3545   0.9530  361.294   52.493  295.723   64.498 65.57117 83.15944 
1 1 1    7    7   24 o  1406.31   33.403   49.977   2.3029   47.653   2.8261   54.570   3.9732  1359.46   40.434  1453.17   53.180 -93.71130 66.80624 
1 1 1    7    7   26 o  2317.93   32.996  141.996   3.3809  145.355   3.9154  132.152   6.7029  2375.61   32.058  2260.24   57.681 115.3616 65.99133 
1 1 1    7    7   28 o  1243.02   33.049   40.744   1.8203   41.606   2.1091   38.227   3.6037  1270.82   32.281  1215.22   57.679 55.60132 66.09821 
1 1 1    7    7   30 o  438.081   43.131   6.1443   0.7252   7.1581   0.8448   3.3054   1.4138  527.076   31.177  349.086   80.430 177.9911 86.26145 
1 1 1    7    7   32 o  1449.38   56.827   54.491   4.2345   54.491   4.2345   0.0000   0.0000  1449.38   56.827  ?   ?       ?      ? 
1 1 1    7    7   34 o  892.589   34.283   21.496   1.3422   22.361   1.5564   18.989   2.6510  930.992   32.517  854.187   60.365 76.80493 68.56590 
1 1 1    7    7   36 o  1996.70   32.692  101.936   2.9294  100.320   3.3851  106.755   5.8454  1970.37   33.417  2023.03   56.200 -52.66394 65.38467 
1 1 1    7    7   38 o  1065.52   32.135   28.152   1.5537   26.688   1.7924   32.578   3.1165  1015.29   34.337  1115.76   54.329 -100.4751 64.27057 
1 1 1    7    7   40 o  1073.90   34.921   31.343   1.6429   32.501   1.9037   27.964   3.2516  1119.70   33.070  1028.10   61.517 91.60364 69.84276 
1 1 1    7    7   42 o  316.488   45.357   2.7196   0.7252   2.2076   1.0002   3.2868   1.0529  281.155   69.575  351.820   58.209 -70.66501 90.71355 
1 1 1    7    7   44 f  445.851   36.889   5.2739   0.8070   5.2628   1.0026   5.2944   1.3598  447.338   43.594  444.364   59.521 2.973572 73.77781 
1 1 1    7    7   46 o  753.624   36.616   14.907   1.3447   14.341   1.6443   16.050   2.3364  736.693   43.414  770.555   58.976 -33.86151 73.23244 
1 1 1    7    7   48 f  499.020   37.598   6.6466   0.9117   6.5035   1.1164   6.9331   1.5799  494.767   43.888  503.273   61.060 -8.506195 75.19659 
1 1 1    7    7   50 o  676.726   37.601   12.364   1.2354   12.220   1.5157   12.649   2.1326  676.811   43.559  676.642   61.302 0.1689453 75.20154 
1 1 1    7    7   52 o  504.389   61.692   7.1260   1.5998   7.1260   1.5998   0.0000   0.0000  504.389   61.692  ?   ?       ?      ? 
1 1 1    7    7   54 o  447.530   45.844   5.7657   1.0547   5.6619   1.4856   5.8711   1.4976  443.199   65.198  451.860   64.466 -8.660278 91.68773 
1 1 1    7    7   56 o  333.774   38.023   3.2620   0.6007   4.7465   0.8677   1.8956   0.8325  418.009   40.376  249.538   64.441 168.4711 76.04507 
1 1 1    7    7   58 o  438.728   34.723   5.4955   0.7701   4.4278   1.0850   6.5796   1.0933  391.198   53.945  486.258   43.733 -95.06046 69.44518 
1 1 1    7    8    1 o  991.724   31.663   25.074   1.5191   24.517   1.8475   26.235   2.6692  975.481   36.838  1007.97   51.508 -32.48529 63.32544 
1 1 1    7    8    3 o  1301.00   33.954   44.034   2.1849   45.021   2.7555   42.362   3.5857  1321.53   40.556  1280.47   54.467 41.05945 67.90785 
1 1 1    7    8    5 o  2218.48   29.049  126.844   3.3125  124.828   4.6220  128.973   4.7497  2200.40   40.856  2236.56   41.307 -36.16235 58.09884 
1 1 1    7    8    7 o  1734.48   28.321   77.511   2.5241   76.068   3.4997   79.075   3.6438  1717.73   39.629  1751.23   40.471 -33.50317 56.64193 
1 1 1    7    8    9 o  1316.42   35.008   45.036   2.1780   45.463   2.6161   44.073   3.9313  1327.92   38.319  1304.92   58.598 22.99561 70.01501 
1 1 1    7    8   11 o  1326.59   32.860   44.880   2.1442   47.436   3.6471   43.529   2.6506  1354.22   52.382  1298.96   39.690 55.25830 65.72052 
1 1 1    7    8   13 o  839.382   27.305   18.187   1.1783   18.041   1.6618   18.335   1.6710  835.992   38.665  842.771   38.565 -6.778870 54.60965 
1 1 1    7    8   15 o  1713.70   27.381   75.895   2.4124   75.488   3.4085   76.303   3.4150  1709.08   38.791  1718.32   38.655 -9.240723 54.76283 
1 1 1    7    8   17 o  1721.85   33.599   77.303   2.8104   78.290   3.4626   75.396   4.8110  1740.42   38.696  1703.28   54.939 37.13977 67.19899 
1 1 1    7    8   19 o  1355.42   38.991   47.641   2.7153   50.074   3.8755   45.296   3.8054  1389.59   54.247  1321.24   56.021 68.34387 77.98153 
1 1 1    7    8   21 o  1183.66   38.919   36.257   2.3684   36.343   3.3608   36.173   3.3382  1185.03   55.162  1182.29   54.919 2.736084 77.83893 
1 1 1    7    8   23 o  940.775   33.978   22.931   1.5525   23.099   1.9093   22.604   2.6672  946.547   39.234  935.003   55.486 11.54401 67.95541 
1 1 1    7    8   25 o  2331.88   34.246  141.070   3.8756  142.482   4.7659  138.314   6.6593  2350.89   39.431  2312.86   56.002 38.02759 68.49156 
1 1 1    7    8   27 o  1304.78   33.974   43.463   2.1644   42.400   2.6563   45.564   3.7336  1282.19   40.295  1327.37   54.710 -45.17334 67.94760 
1 1 1    7    8   29 o  1695.67   32.229   73.719   2.4548   73.153   2.8428   75.378   4.8673  1684.88   32.818  1706.47   55.478 -21.59119 64.45773 
1 1 1    7    8   31 o  2009.63   34.740  104.598   3.3890  104.865   4.1609  104.071   5.8414  2015.52   40.154  2003.73   56.703 11.79138 69.48092 
1 1 1    7    8   33 o  675.258   36.666   12.351   1.1757   13.404   1.4499   10.331   2.0089  720.367   39.149  630.149   62.008 90.21857 73.33270 
1 1 1    7    8   35 o  1441.05   35.437   54.437   2.4690   55.453   3.0328   52.440   4.2513  1463.80   40.299  1418.29   58.302 45.51135 70.87457 
1 1 1    7    8   37 o  481.355   30.760   5.2216   0.6784   4.4005   0.7756   7.8956   1.3996  412.219   36.595  550.491   49.452 -138.2717 61.51984 
1 1 1    7    8   39 o  530.713   32.471   7.0221   0.7862   6.6674   0.9101   8.0653   1.5607  507.112   34.907  554.314   54.762 -47.20166 64.94131 
1 1 1    7    8   41 o  294.827   32.658   1.8654   0.4341   1.3703   0.4961   3.4850   0.8972  225.152   44.431  364.502   47.875 -139.3494 65.31530 
1 1 1    7    8   43 o  831.870   42.019   18.139   1.7971   18.139   1.7971   0.0000   0.0000  831.870   42.019  ?   ?       ?      ? 
1 1 1    7    8   45 o  565.451   36.936   8.4666   1.0212   8.3315   1.2596   8.7256   1.7443  562.017   43.594  568.885   59.638 -6.868286 73.87267 
1 1 1    7    8   47 o  482.695   42.929   6.8873   0.9199   7.7845   1.1301   5.1251   1.5837  543.053   40.475  422.336   75.719 120.7170 85.85835 
1 1 1    7    8   49 f  853.487   38.577   20.224   1.5700   21.139   1.9256   18.408   2.7116  892.193   41.980  814.781   64.732 77.41187 77.15311 
1 1 1    7    8   51 f  319.908   39.698   2.7784   0.6065   2.6202   0.7439   3.0922   1.0474  312.016   46.371  327.801   64.447 -15.78482 79.39578 
1 1 1    7    8   53 o  153.341   35.311   0.6404   0.3338   0.8379   0.4248   0.3217   0.5397  172.664   46.722  134.018   52.957 38.64615 70.62119 
1 1 1    7    8   55 o  268.460   43.675   1.9931   0.5615   1.6784   0.6790   2.6741   0.9988  239.566   56.111  297.353   66.944 -57.78694 87.34932 
1 1 1    7    8   57 o  301.384   37.307   2.6962   0.5447   1.7360   0.7721   3.6475   0.7685  237.922   62.360  364.845   40.969 -126.9237 74.61340 
1 1 1    7    9    0 f  608.662   45.468   9.7358   1.3711   10.749   2.1392   9.0293   1.7863  635.011   67.249  582.314   61.213 0.000000 0.000000 
1 1 1    7    9    2 o  1634.92   39.503   69.259   2.9825   68.692   5.6176   69.482   3.5195  1628.27   67.105  1641.56   41.702 -13.28748 79.00674 
1 1 1    7    9    4 o  1604.91   38.725   67.075   2.9086   65.331   5.3331   67.814   3.4702  1588.14   65.316  1621.69   41.621 -33.55383 77.45023 
1 1 1    7    9    6 o  729.171   28.925   13.732   1.0825   14.231   1.5063   13.199   1.5568  742.971   39.433  715.370   42.329 27.60107 57.85062 
1 1 1    7    9    8 o  886.920   28.357   20.342   1.2895   21.456   1.7936   19.150   1.8552  912.254   38.242  861.587   41.882 50.66705 56.71457 
1 1 1    7    9   10 o  1081.16   33.607   30.175   1.7798   30.288   3.0178   30.115   2.2038  1081.88   54.255  1080.44   39.674 1.435913 67.21367 
1 1 1    7    9   12 o  1811.81   27.387   84.752   2.5503   85.568   3.5720   83.904   3.6424  1820.82   38.157  1802.81   39.298 18.01587 54.77450 
1 1 1    7    9   14 o  882.196   27.373   20.109   1.2415   19.816   1.7496   20.406   1.7618  875.709   38.862  888.683   38.560 -12.97430 54.74562 
1 1 1    7    9   16 o  813.716   27.521   17.129   1.1498   18.199   1.6290   16.067   1.6231  839.188   37.756  788.244   40.052 50.94440 55.04255 
1 1 1    7    9   18 f  690.499   34.588   12.547   1.1468   11.779   1.9875   12.931   1.4041  673.414   57.406  707.585   38.597 -34.17126 69.17510 
1 1 1    7    9   20 o  376.903   39.535   3.6652   0.7661   3.6652   0.7661   0.0000   0.0000  376.903   39.535  ?   ?       ?      ? 
1 1 1    7    9   22 o  1736.76   39.088   78.038   3.4884   75.454   4.9472   80.592   4.9195  1707.96   56.339  1765.56   54.197 -57.59656 78.17559 
1 1 1    7    9   24 o  595.440   34.510   9.2833   0.9954   9.5570   1.2284   8.7595   1.6990  608.869   39.241  582.009   56.780 26.86005 69.01992 
1 1 1    7    9   26 f  1161.55   34.842   35.551   1.9501   36.993   2.4016   32.761   3.3411  1197.83   38.998  1125.26   57.751 72.56873 69.68496 
1 1 1    7    9   28 o  2324.29   34.288  139.347   3.8791  138.848   4.7684  140.324   6.6703  2320.04   39.977  2328.54   55.718 -8.502441 68.57552 
1 1 1    7    9   30 o  2303.21   40.023  137.512   4.7369  132.968   6.7148  142.014   6.6832  2264.97   57.664  2341.44   55.518 -76.47339 80.04569 
1 1 1    7    9   32 o  1739.54   40.371   78.167   3.6106   78.167   3.6106   0.0000   0.0000  1739.54   40.371  ?   ?       ?      ? 
1 1 1    7    9   34 o  466.782   34.037   5.7471   0.7027   5.8459   0.8129   5.4551   1.3980  475.899   33.222  457.665   59.416 18.23325 68.07323 
1 1 1    7    9   36 o  718.445   33.665   13.484   1.0790   13.551   1.2496   13.287   2.1392  724.006   33.569  712.885   58.365 11.12122 67.33057 
1 1 1    7    9   38 o  709.377   34.931   13.654   1.0877   14.182   1.2619   12.127   2.1453  740.144   33.161  678.610   61.490 61.53333 69.86198 
1 1 1    7    9   40 o  421.452   32.298   4.3152   0.6241   3.9588   0.7203   5.3875   1.2495  390.389   35.889  452.515   53.708 -62.12601 64.59544 
1 1 1    7    9   42 o  616.633   59.049   10.123   1.8720   10.123   1.8720   0.0000   0.0000  616.633   59.049  ?   ?       ?      ? 
1 1 1    7    9   44 o  518.812   42.873   8.4120   0.8677   9.4701   1.0074   5.3706   1.7080  602.927   32.500  434.697   79.348 168.2299 85.74568 
1 1 1    7    9   46 o  383.352   41.685   4.3884   0.6531   4.7357   0.7559   3.3661   1.2970  425.323   34.567  341.381   75.865 83.94229 83.36905 
1 1 1    7    9   48 o  631.935   35.970   10.151   1.1202   8.8118   1.3682   12.874   1.9508  574.580   46.316  689.290   55.047 -114.7096 71.94000 
1 1 1    7    9   50 o  290.854   40.408   2.2761   0.5540   2.0554   0.6722   2.7433   0.9781  272.240   49.861  309.468   63.600 -37.22809 80.81505 
1 1 1    7    9   52 o  287.196   72.851   2.4775   1.0773   2.4775   1.0773   0.0000   0.0000  287.196   72.851  ?   ?       ?      ? 
1 1 1    7    9   54 o  267.132   49.012   2.2237   0.7180   3.0068   0.9805   1.3185   1.0541  320.514   61.743  213.749   76.134 106.7654 98.02339 
1 1 1    7    9   56 o  169.647   37.469   0.8858   0.4021   1.1865   0.4653   0.0000   0.7987  203.842   45.550  135.452   59.507 68.38986 74.93878 
1 1 1    7    9   58 o  343.760   46.366   4.5003   0.7973   6.2441   0.9978   1.4200   1.3262  475.448   40.821  212.072   83.265 263.3760 92.73253 
1 1 1    7   10    1 o  894.350   33.520   20.654   1.5406   21.025   2.1595   20.269   2.1985  902.600   46.535  886.099   48.258 16.50085 67.03992 
1 1 1    7   10    3 o  1511.48   47.508   59.090   3.6864   54.870   5.0935   63.732   5.3421  1454.76   68.102  1568.20   66.259 -113.4456 95.01591 
1 1 1    7   10    5 o  728.713   37.634   13.629   1.3023   13.976   2.3580   13.477   1.5622  734.598   62.436  722.828   42.036 11.77020 75.26788 
1 1 1    7   10    7 o  573.619   36.317   8.5455   1.0014   8.3869   1.7534   8.6223   1.2199  569.090   59.928  578.149   41.041 -9.058777 72.63431 
1 1 1    7   10    9 o  1053.98   41.632   28.942   2.2408   30.544   3.0537   27.072   3.2984  1086.34   54.675  1021.62   62.799 64.72443 83.26468 
1 1 1    7   10   11 o  567.054   33.408   8.2061   0.9328   8.6961   1.5836   7.9458   1.1543  579.384   53.163  554.724   40.475 24.65961 66.81673 
1 1 1    7   10   13 o  704.856   27.487   12.845   0.9954   13.189   1.3961   12.490   1.4197  714.531   38.003  695.181   39.722 19.34937 54.97308 
1 1 1    7   10   15 o  600.559   27.519   9.3394   0.8477   10.045   1.1968   8.6290   1.2009  623.492   37.335  577.626   40.438 45.86578 55.03749 
1 1 1    7   10   17 o  195.672   33.914   1.1150   0.3718   0.3306   0.6185   1.5588   0.4653  145.643   56.956  245.701   36.834 -100.0576 67.82839 
1 1 1    7   10   19 o  1602.29   33.663   65.369   2.6196   63.405   3.1931   69.411   4.5816  1567.43   39.623  1637.15   54.432 -69.71606 67.32641 
1 1 1    7   10   21 o  1032.80   39.089   27.588   2.0755   27.928   2.9478   27.253   2.9228  1039.14   55.176  1026.47   55.385 12.66650 78.17829 
1 1 1    7   10   23 o  688.649   28.132   12.244   0.9938   13.200   1.4063   11.291   1.4045  715.600   38.225  661.698   41.284 53.90240 56.26323 
1 1 1    7   10   25 o  875.341   33.393   19.261   1.4343   18.139   1.7581   21.495   2.4802  838.681   40.774  912.000   52.895 -73.31946 66.78640 
1 1 1    7   10   27 o  1224.00   34.053   38.478   2.0339   38.002   2.5014   39.407   3.4938  1213.80   40.083  1234.20   55.061 -20.40393 68.10587 
1 1 1    7   10   29 o  1984.96   34.562  102.324   3.3344  103.301   4.1063  100.434   5.7131  2000.80   39.918  1969.11   56.433 31.69348 69.12432 
1 1 1    7   10   31 o  3154.67   40.234  256.983   6.5256  256.983   6.5256   0.0000   0.0000  3154.67   40.234  ?   ?       ?      ? 
1 1 1    7   10   33 o  2355.54   34.570  142.657   3.9700  140.310   4.8740  147.283   6.8435  2329.84   40.690  2381.23   55.899 -51.38647 69.14061 
1 1 1    7   10   35 o  751.722   36.063   14.971   1.3032   15.515   1.6003   13.899   2.2454  774.051   40.212  729.393   59.876 44.65759 72.12597 
1 1 1    7   10   37 o  672.106   34.882   12.191   1.0251   12.599   1.1852   10.982   2.0420  697.821   33.036  646.391   61.445 51.43048 69.76311 
1 1 1    7   10   39 o  353.546   34.480   3.2249   0.5507   3.1757   0.6390   3.3670   1.0856  349.830   35.527  357.263   59.103 -7.433350 68.95908 
1 1 1    7   10   41 o  468.094   36.392   5.6828   0.8288   5.4994   1.0126   6.0554   1.4430  458.555   42.949  477.633   58.762 -19.07770 72.78455 
1 1 1    7   10   43 f  417.727   44.255   5.6984   0.7163   6.5924   0.8334   3.1719   1.4011  503.355   32.206  332.100   82.444 171.2548 88.51097 
1 1 1    7   10   45 o  573.300   37.625   8.8633   1.0451   9.0194   1.2885   8.5631   1.7868  584.672   42.864  561.928   61.848 22.74438 75.24956 
1 1 1    7   10   47 o  242.080   39.570   1.6783   0.4320   1.7505   0.4935   1.4412   0.8939  257.943   37.214  226.217   69.843 31.72572 79.13909 
1 1 1    7   10   49 o  158.886   35.160   0.6717   0.2887   0.6922   0.3278   0.6008   0.6091  158.631   40.160  159.140   57.724 -0.5085449 70.31988 
1 1 1    7   10   51 o  834.862   61.923   19.474   2.6579   19.474   2.6579   0.0000   0.0000  834.862   61.923  ?   ?       ?      ? 
1 1 1    7   10   53 o  530.351   47.616   9.0077   1.0763   10.654   1.3275   5.8500   1.8386  629.454   41.021  431.247   85.945 198.2065 95.23283 
1 1 1    7   10   55 o  543.897   41.521   8.5867   1.0660   8.8181   1.2949   8.1000   1.8777  567.417   44.388  520.377   70.183 47.03967 83.04169 
1 1 1    7   10   57 o  159.386   38.751   0.6973   0.3657   0.6961   0.4383   0.7003   0.6634  156.272   49.014  162.500   60.035 -6.227692 77.50260 
1 1 1    7   11    0 o  705.457   39.780   12.985   1.3828   13.452   2.2446   12.699   1.7555  714.106   62.224  696.807   49.578 -0.000000 0.000000 
1 1 1    7   11    2 o   99.950   27.306   0.1325   0.1735   0.0886   0.1978   0.2789   0.3612   80.838   32.021  119.062   44.239 -38.22365 54.61181 
1 1 1    7   11    4 o  179.976   36.108   0.9366   0.3631   1.1878   0.4268   0.2776   0.6913  211.046   40.808  148.907   59.581 62.13943 72.21644 
1 1 1    7   11    6 o  1225.06   38.317   38.526   2.1556   38.168   2.5272   39.482   4.1301  1216.39   40.410  1233.74   65.114 -17.34473 76.63408 
1 1 1    7   11    8 o  1029.58   43.218   27.598   2.2740   28.635   3.0886   26.370   3.3605  1051.36   57.140  1007.81   64.856 43.54688 86.43675 
1 1 1    7   11   10 o  1183.48   41.265   36.459   2.4983   37.667   3.4034   35.048   3.6790  1205.44   54.916  1161.52   61.607 43.91101 82.53017 
1 1 1    7   11   12 o  667.826   32.764   11.115   1.0859   13.194   1.8455   10.014   1.3429  713.370   50.319  622.282   41.975 91.08740 65.52762 
1 1 1    7   11   14 o  699.328   33.378   12.570   1.1433   13.023   1.9533   12.335   1.4100  707.980   53.662  690.677   39.708 17.30347 66.75600 
1 1 1    7   11   16 o  718.529   38.899   13.340   1.4370   0.0000   0.0000   13.340   1.4370  ?   ?   718.529   38.899      ?      ? 
1 1 1    7   11   18 o  1195.94   39.086   37.049   2.4016   35.194   3.3617   38.983   3.4322  1165.23   56.115  1226.66   54.423 -61.42566 78.17174 
1 1 1    7   11   20 o  1869.51   34.202   91.814   3.0836   94.936   3.7935   85.733   5.2940  1918.81   38.454  1820.20   56.571 98.61316 68.40334 
1 1 1    7   11   22 f  1734.30   27.792   77.550   2.4776   79.265   3.5055   75.838   3.5022  1753.51   38.884  1715.08   39.718 38.42517 55.58301 
1 1 1    7   11   24 o  230.763   31.028   1.4266   0.3564   1.7253   0.4947   1.1043   0.5138  258.735   37.193  202.791   49.676 55.94408 62.05684 
1 1 1    7   11   26 o  549.394   29.063   7.8510   0.8063   6.0925   1.1285   9.6850   1.1525  485.821   45.180  612.968   36.570 -127.1466 58.12558 
1 1 1    7   11   28 o  1861.11   35.469   92.391   3.1592   98.082   3.8916   81.393   5.4100  1949.97   38.818  1772.26   59.375 177.7095 70.93806 
1 1 1    7   11   30 o  2506.90   56.765  162.916   7.3162  162.916   7.3162   0.0000   0.0000  2506.90   56.765  ?   ?       ?      ? 
1 1 1    7   11   32 o  1306.92   40.628   44.446   2.7131   50.750   3.8771   38.397   3.7979  1398.71   53.915  1215.13   60.792 183.5747 81.25597 
1 1 1    7   11   34 o  1199.64   35.371   37.818   2.0512   38.726   2.5230   36.048   3.5229  1223.32   40.115  1175.96   58.270 47.36304 70.74288 
1 1 1    7   11   36 o  624.025   37.648   10.680   1.1072   11.661   1.3612   8.7630   1.9033  670.655   39.478  577.395   64.116 93.25989 75.29520 
1 1 1    7   11   38 o  308.405   41.506   3.1854   0.5401   3.7992   0.6268   1.4174   1.0639  383.095   31.826  233.714   76.669 149.3811 83.01181 
1 1 1    7   11   40 o  656.271   34.940   10.850   1.1287   9.8326   1.3816   12.891   1.9569  613.357   43.813  699.185   54.439 -85.82800 69.87990 
1 1 1    7   11   42 o  157.279   47.998   0.6556   0.4236   0.6556   0.4236   0.0000   0.0000  157.279   47.998  ?   ?       ?      ? 
1 1 1    7   11   44 o   96.867   27.785   0.0592   0.1842   0.0000   0.2083   0.2716   0.3947   73.523   31.331  120.210   45.895 -46.68727 55.56959 
1 1 1    7   11   46 o  201.371   38.617   1.1835   0.3811   1.2854   0.4355   0.8508   0.7871  217.535   40.430  185.206   65.807 32.32912 77.23395 
1 1 1    7   11   48 o  110.202   31.588   0.1293   0.2265   0.0906   0.2514   0.2957   0.5215   88.113   35.693  132.292   52.127 -44.17856 63.17660 
1 1 1    7   11   50 o  316.856   42.661   2.9602   0.6210   3.1905   0.7512   2.4632   1.1038  345.802   42.252  287.911   74.125 57.89087 85.32154 
1 1 1    7   11   52 o  188.810   44.736   0.9874   0.5265   1.2466   0.6959   0.6404   0.8051  207.794   61.085  169.826   65.376 37.96819 89.47295 
1 1 1    7   11   54 o  166.450   43.064   0.6674   0.4973   0.3341   0.7046   0.9985   0.7022  145.521   59.447  187.379   62.324 -41.85793 86.12888 
1 1 1    7   11   56 o  472.145   40.707   6.2972   0.9315   6.0023   1.1345   6.9074   1.6319  463.870   47.572  480.421   66.069 -16.55103 81.41383 
1 1 1    7   12    1 o  939.651   26.720   22.772   1.2892   22.606   1.8670   22.924   1.7824  936.300   38.785  943.003   36.764 -6.702087 53.43998 
1 1 1    7   12    3 o  385.003   38.033   3.4028   0.7058   2.6383   0.8391   5.2532   1.3054  319.476   51.086  450.530   56.357 -131.0549 76.06509 
1 1 1    7   12    5 o  401.285   29.784   4.1564   0.6144   4.0610   0.8681   4.2520   0.8696  396.657   42.568  405.914   41.670 -9.256653 59.56881 
1 1 1    7   12    7 o  685.827   37.009   11.693   1.1797   11.096   1.3810   13.304   2.2693  655.631   40.971  716.023   61.644 -60.39148 74.01808 
1 1 1    7   12    9 o  571.469   42.464   8.4368   1.2441   7.8461   1.6853   9.1442   1.8443  549.648   59.639  593.291   60.465 -43.64319 84.92828 
1 1 1    7   12   11 f  1200.36   37.660   39.229   2.0629   41.733   2.4593   33.284   3.7893  1271.06   37.634  1129.66   65.244 141.3934 75.32048 
1 1 1    7   12   13 o  497.515   36.132   6.6101   0.8400   6.8982   1.0104   5.9658   1.5111  516.636   38.041  478.395   61.440 38.24088 72.26331 
1 1 1    7   12   15 o  788.001   56.361   16.136   2.2834   0.0000   0.0000   16.136   2.2834  ?   ?   788.001   56.361      ?      ? 
1 1 1    7   12   17 o  559.060   55.039   8.1016   1.5820   8.1016   1.5820   0.0000   0.0000  559.060   55.039  ?   ?       ?      ? 
1 1 1    7   12   19 o  2535.91   33.991  167.542   4.1691  161.900   7.1845  170.407   5.1192  2501.26   55.868  2570.56   38.735 -69.29688 67.98292 
1 1 1    7   12   21 o  1379.16   33.747   48.820   2.2616   49.979   3.9185   48.241   2.7694  1390.42   54.815  1367.89   39.379 22.52649 67.49371 
1 1 1    7   12   23 o  1677.34   34.248   72.936   2.7796   71.754   4.8088   73.529   3.4063  1665.84   56.148  1688.84   39.230 -22.99768 68.49548 
1 1 1    7   12   25 o  1775.84   33.918   80.635   2.9329   83.930   5.0798   78.987   3.5921  1801.54   54.844  1750.13   39.922 51.40930 67.83549 
1 1 1    7   12   27 o  869.377   28.240   19.497   1.2622   19.229   1.7784   19.769   1.7916  863.342   40.065  875.412   39.808 -12.07037 56.47913 
1 1 1    7   12   29 o  842.855   35.125   18.664   1.4259   17.531   2.4579   19.238   1.7505  822.318   58.138  863.391   39.435 -41.07257 70.25082 
1 1 1    7   12   31 o  583.401   40.647   8.8592   1.2143   9.7690   1.7179   7.9506   1.7167  613.710   54.445  553.093   60.370 60.61798 81.29496 
1 1 1    7   12   33 o  446.798   36.589   5.3840   0.7797   5.7883   0.9620   4.6099   1.3310  473.126   39.547  420.471   61.572 52.65512 73.17838 
1 1 1    7   12   35 o  1136.24   35.312   33.817   1.9483   34.271   2.4006   32.943   3.3350  1149.85   40.607  1122.62   57.782 27.22888 70.62399 
1 1 1    7   12   37 o  162.364   35.974   0.6106   0.3165   0.4690   0.3804   0.9296   0.5708  137.819   45.874  186.909   55.426 -49.09004 71.94751 
1 1 1    7   12   39 o  470.645   34.798   5.2667   0.8020   3.9290   0.9760   8.0477   1.4072  387.206   49.025  554.084   49.398 -166.8784 69.59605 
1 1 1    7   12   41 o  634.982   41.749   10.547   1.3630   10.547   1.3630   0.0000   0.0000  634.982   41.749  ?   ?       ?      ? 
1 1 1    7   12   43 o  1106.36   36.438   34.386   1.7405   36.282   2.0172   28.862   3.4433  1179.90   33.253  1032.81   64.846 147.0912 72.87527 
1 1 1    7   12   45 o  643.457   38.019   11.277   1.1704   11.610   1.4314   10.606   2.0329  663.258   41.976  623.656   63.401 39.60248 76.03761 
1 1 1    7   12   47 f  1166.95   33.796   35.061   1.7741   33.668   2.0449   39.298   3.5676  1132.21   35.130  1201.69   57.744 -69.47107 67.59105 
1 1 1    7   12   49 o  648.148   35.800   11.413   1.0228   11.478   1.1809   11.218   2.0465  660.225   34.789  636.072   62.581 24.15314 71.60057 
1 1 1    7   12   51 o  767.229   43.221   15.802   1.7048   15.802   1.7048   0.0000   0.0000  767.229   43.221  ?   ?       ?      ? 
1 1 1    7   12   53 o  291.951   43.247   2.8837   0.6199   3.6757   0.7602   1.3110   1.0712  369.764   39.987  214.139   76.696 155.6251 86.49471 
1 1 1    7   12   55 o  198.987   41.549   1.2338   0.4739   1.5089   0.5799   0.6804   0.8225  228.479   50.692  169.495   65.845 58.98390 83.09798 
1 1 1    7   12   57 o  289.761   46.871   2.5748   0.6498   2.4570   0.7895   2.8222   1.1440  287.448   55.428  292.074   75.598 -4.626373 93.74113 
1 1 1    7   13    0 o  1530.00   40.160   60.950   3.0276   61.787   3.8082   59.513   4.9911  1546.09   48.014  1513.92   64.389 0.000000 0.000000 
1 1 1    7   13    2 o  1806.21   29.094   83.857   2.6870   81.147   3.5922   87.300   4.0485  1773.50   39.397  1838.91   42.821 -65.41260 58.18759 
1 1 1    7   13    4 o  1585.33   30.422   64.838   2.4772   66.258   3.5969   63.557   3.4167  1601.72   43.679  1568.95   42.357 32.76697 60.84404 
1 1 1    7   13    6 o  1584.54   38.536   63.258   2.8386   60.974   3.3338   69.277   5.4130  1536.47   42.204  1632.60   64.489 -96.12854 77.07121 
1 1 1    7   13    8 o  1993.44   36.864  104.387   3.5165   99.155   6.1534  106.925   4.2851  1952.67   61.294  2034.20   40.973 -81.53235 73.72768 
1 1 1    7   13   10 o  1958.09   28.268   99.151   2.8423   99.862   3.9321   98.373   4.1132  1965.73   38.907  1950.44   41.018 15.29187 56.53519 
1 1 1    7   13   12 o  2793.53   27.955  202.055   4.0076  207.518   5.5496  196.102   5.7935  2833.62   38.094  2753.44   40.926 80.18188 55.91088 
1 1 1    7   13   14 o  1409.67   39.969   51.704   2.8899   52.668   3.9756   50.623   4.2081  1424.22   54.295  1395.12   58.669 29.09424 79.93739 
1 1 1    7   13   16 o  2912.69   38.706  218.999   5.7962  218.999   5.7962   0.0000   0.0000  2912.69   38.706  ?   ?       ?      ? 
1 1 1    7   13   18 o  2396.34   34.446  151.196   3.9564  156.587   4.8425  140.373   6.8614  2464.16   38.224  2328.51   57.315 135.6501 68.89137 
1 1 1    7   13   20 o  1328.21   39.070   45.616   2.6675   46.649   3.7789   44.591   3.7661  1343.27   54.718  1313.15   55.783 30.11548 78.13995 
1 1 1    7   13   22 f  3278.96   39.079  277.928   6.5865  285.996   9.3578  270.008   9.2722  3326.29   54.720  3231.63   55.807 94.66602 78.15804 
1 1 1    7   13   24 o  1899.76   39.346   93.326   3.8420   96.275   5.4640   90.442   5.4034  1929.55   55.078  1869.96   56.204 59.59070 78.69227 
1 1 1    7   13   26 o  1334.22   34.577   46.235   2.2323   45.286   3.8571   46.713   2.7374  1322.69   56.719  1345.75   39.564 -23.06592 69.15494 
1 1 1    7   13   28 o  1809.39   39.927   84.490   3.7142   0.0000   0.0000   84.490   3.7142  ?   ?   1809.39   39.927      ?      ? 
1 1 1    7   13   30 o  1674.52   56.798   72.755   4.8898   72.755   4.8898   0.0000   0.0000  1674.52   56.798  ?   ?       ?      ? 
1 1 1    7   13   32 o  1415.13   40.395   52.070   2.9335   56.265   4.1849   48.018   4.1131  1471.66   55.311  1358.59   58.887 113.0730 80.78922 
1 1 1    7   13   34 o  327.237   44.751   2.8714   0.7351   3.3496   1.0405   2.3948   1.0387  358.319   56.483  296.154   69.429 62.16446 89.50236 
1 1 1    7   13   36 o  477.449   39.250   6.4084   0.8712   7.2501   1.0753   4.8011   1.4860  528.587   39.569  426.312   67.797 102.2757 78.49908 
1 1 1    7   13   38 o  768.672   36.769   15.954   1.3503   16.863   1.6605   14.179   2.3203  805.073   40.117  732.272   61.632 72.80084 73.53856 
1 1 1    7   13   40 o  612.312   59.509   9.9597   1.8734   9.9597   1.8734   0.0000   0.0000  612.312   59.509  ?   ?       ?      ? 
1 1 1    7   13   42 f  325.128   46.015   2.9167   0.7537   3.4740   1.0708   2.3696   1.0610  360.659   57.750  289.597   71.655 71.06216 92.02962 
1 1 1    7   13   44 o  781.762   36.854   16.345   1.3972   16.407   1.7174   16.225   2.4027  788.895   42.344  774.629   60.331 14.26599 73.70800 
1 1 1    7   13   46 o  698.879   36.735   13.803   1.1138   14.515   1.2933   11.760   2.1916  744.321   33.796  653.436   65.235 90.88477 73.46989 
1 1 1    7   13   48 o  679.318   34.233   11.761   1.0436   11.130   1.1980   13.745   2.1251  650.071   35.843  708.566   58.334 -58.49542 68.46616 
1 1 1    7   13   50 o  255.455   48.934   1.8172   0.6193   1.8172   0.6193   0.0000   0.0000  255.455   48.934  ?   ?       ?      ? 
1 1 1    7   13   52 o  228.648   37.516   1.8434   0.4569   2.3519   0.5278   0.3231   0.9126  297.778   34.474  159.519   66.642 138.2589 75.03117 
1 1 1    7   13   54 o  114.072   31.769   0.2301   0.2767   0.3503   0.3414   0.0000   0.4725  120.656   43.288  107.487   46.511 13.16843 63.53776 
1 1 1    7   13   56 o  393.570   43.254   4.6186   0.7952   4.6672   0.9776   4.5236   1.3671  408.925   46.500  378.216   72.948 30.70969 86.50870 
1 1 1    7   14    1 o  506.302   27.606   6.6555   0.7140   5.9141   1.0241   7.3566   0.9959  478.566   41.624  534.038   36.273 -55.47116 55.21173 
1 1 1    7   14    3 o  993.860   28.877   25.512   1.4652   25.545   1.9604   25.471   2.2054  994.849   38.328  992.871   43.203 1.978455 57.75468 
1 1 1    7   14    5 f  814.997   41.033   17.377   1.5525   17.559   1.8423   16.933   2.8836  824.165   43.478  805.828   69.603 18.33734 82.06655 
1 1 1    7   14    7 o  613.913   38.366   9.9716   1.1110   9.2940   1.9844   10.281   1.3409  597.192   64.632  630.634   41.357 -33.44208 76.73174 
1 1 1    7   14    9 o  452.657   28.805   5.2863   0.6693   4.8846   0.9239   5.7300   0.9708  434.561   41.351  470.753   40.112 -36.19205 57.60984 
1 1 1    7   14   11 o  566.356   28.450   8.3038   0.8269   8.4643   1.1424   8.1271   1.1985  572.227   38.831  560.484   41.590 11.74371 56.89965 
1 1 1    7   14   13 o  649.334   36.021   11.554   1.1118   9.1097   1.8584   12.915   1.3874  591.584   61.103  707.084   38.164 -115.4999 72.04202 
1 1 1    7   14   15 o  1218.99   32.990   37.562   1.9603   35.820   2.3906   41.136   3.4250  1177.89   39.476  1260.10   52.868 -82.21509 65.98032 
1 1 1    7   14   17 o  814.952   27.913   17.123   1.1663   15.465   1.6258   18.882   1.6742  774.209   40.844  855.695   38.057 -81.48535 55.82592 
1 1 1    7   14   19 o  1899.84   34.077   93.477   3.1264   94.020   3.8215   92.381   5.4363  1909.66   38.924  1890.01   55.946 19.64685 68.15425 
1 1 1    7   14   21 o  152.254   33.685   0.4628   0.2723   0.2951   0.3167   0.9383   0.5331  116.452   41.703  188.055   52.912 -71.60351 67.37088 
1 1 1    7   14   23 o  2037.65   34.432  108.757   3.3860  111.873   4.1620  102.658   5.8228  2083.12   38.861  1992.19   56.850 90.92871 68.86317 
1 1 1    7   14   25 o  1875.22   34.286   91.267   3.1187   92.137   3.8329   89.563   5.3649  1890.08   39.443  1860.37   56.091 29.70972 68.57129 
1 1 1    7   14   27 o  608.448   40.284   9.6125   1.2539   10.788   1.7833   8.4626   1.7634  645.598   53.728  571.298   60.037 74.29962 80.56763 
1 1 1    7   14   29 f  901.517   40.111   20.985   1.8591   20.985   1.8591   0.0000   0.0000  901.517   40.111  ?   ?       ?      ? 
1 1 1    7   14   31 o  1533.66   40.113   61.108   3.1619   59.517   4.4777   62.690   4.4656  1513.52   57.543  1553.80   55.901 -40.28247 80.22543 
1 1 1    7   14   33 o  1151.13   35.517   34.646   1.9701   33.816   3.4263   35.056   2.4079  1138.54   58.534  1163.72   40.246 -25.17407 71.03486 
1 1 1    7   14   35 o  893.073   41.309   20.882   1.8910   23.146   2.7193   18.762   2.6313  940.529   56.237  845.616   60.524 94.91333 82.61784 
1 1 1    7   14   37 o  882.424   41.413   20.499   1.8783   20.627   2.6907   20.376   2.6233  884.916   59.142  879.932   57.986 4.984619 82.82583 
1 1 1    7   14   39 o  897.430   58.459   21.327   2.6972   0.0000   0.0000   21.327   2.6972  ?   ?   897.430   58.459      ?      ? 
1 1 1    7   14   41 o  205.161   38.445   1.0518   0.4976   0.0000   0.7080   2.0786   0.6996  133.950   57.439  276.372   51.116 -142.4220 76.89010 
1 1 1    7   14   43 o  942.256   42.272   23.916   2.0477   23.956   2.9141   23.877   2.8779  942.784   60.121  941.728   59.440 1.056274 84.54372 
1 1 1    7   14   45 o  393.109   41.443   4.4398   0.7423   4.8282   0.9123   3.6790   1.2768  427.539   41.506  358.680   71.745 68.85883 82.88638 
1 1 1    7   14   47 o  187.382   35.737   0.8797   0.3085   0.7932   0.3503   1.1793   0.6515  169.822   40.660  204.942   58.782 -35.12070 71.47437 
1 1 1    7   14   49 o  345.314   38.285   3.1365   0.6522   2.8578   0.8018   3.6814   1.1211  325.659   47.886  364.968   59.748 -39.30927 76.57018 
1 1 1    7   14   51 o  419.393   38.221   4.7714   0.7763   4.6114   0.9456   5.1021   1.3595  413.410   44.487  425.376   62.164 -11.96637 76.44295 
1 1 1    7   14   53 o  374.576   46.851   4.9515   0.7086   5.7528   0.8227   2.6490   1.3946  464.802   34.427  284.349   87.149 180.4530 93.70286 
1 1 1    7   14   55 o  365.071   37.450   3.4631   0.6079   3.1669   0.6919   4.4655   1.2729  341.365   39.426  388.778   63.684 -47.41306 74.89987 
1 1 1    7   14   57 o  103.167   40.784   0.1913   0.3202   0.1913   0.3202   0.0000   0.0000  103.167   40.784  ?   ?       ?      ? 
1 1 1    7   15    0 o  823.205   41.081   17.691   1.6502   18.047   2.7533   17.492   2.0615  827.473   65.671  818.937   49.375 -0.000000 0.000000 
1 1 1    7   15    2 o  1048.39   27.073   28.324   1.4575   30.187   2.1156   26.640   2.0109  1081.17   38.060  1015.61   38.511 65.56360 54.14520 
1 1 1    7   15    4 o  353.942   43.217   3.2237   0.7088   3.0794   0.8462   3.5629   1.2976  344.815   47.732  363.070   72.060 -18.25571 86.43500 
1 1 1    7   15    6 o  871.413   36.654   18.697   1.5364   22.573   2.8078   17.040   1.8355  931.432   58.634  811.394   44.000 120.0387 73.30708 
1 1 1    7   15    8 o  353.526   29.866   3.2418   0.5413   3.4966   0.7615   2.9815   0.7695  367.710   40.279  339.342   44.109 28.36810 59.73266 
1 1 1    7   15   10 o  570.812   28.923   8.4612   0.8452   8.9812   1.1680   7.8896   1.2246  589.492   38.540  552.132   43.139 37.36084 57.84698 
1 1 1    7   15   12 o  1518.81   33.954   59.559   2.5512   60.445   4.2421   59.057   3.1932  1526.10   54.066  1511.52   41.090 14.57922 67.90850 
1 1 1    7   15   14 o  515.375   32.857   6.6545   0.8296   6.2070   1.0135   7.5634   1.4443  490.307   40.205  540.442   51.980 -50.13507 65.71390 
1 1 1    7   15   16 o  1411.18   27.827   51.360   2.0178   51.168   2.8053   51.565   2.9046  1408.53   38.739  1413.84   39.959 -5.307617 55.65462 
1 1 1    7   15   18 o  814.992   35.077   17.470   1.3592   18.019   1.6503   16.312   2.3967  836.035   38.395  793.949   58.714 42.08582 70.15385 
1 1 1    7   15   20 o  350.641   33.585   2.9993   0.5847   3.8743   0.9989   2.5432   0.7211  387.322   50.160  313.959   44.674 73.36240 67.17000 
1 1 1    7   15   22 o  1571.25   27.874   63.665   2.2511   65.230   3.1805   62.095   3.1867  1590.66   38.890  1551.84   39.942 38.81909 55.74767 
1 1 1    7   15   24 o  1370.61   27.998   48.454   1.9725   49.602   2.7928   47.311   2.7864  1386.87   39.168  1354.36   40.017 32.51404 55.99543 
1 1 1    7   15   26 o  210.580   31.934   1.1600   0.3466   0.7106   0.4724   1.6837   0.5099  165.687   50.714  255.474   38.823 -89.78680 63.86869 
1 1 1    7   15   28 o  821.724   56.649   17.505   2.3933   17.505   2.3933   0.0000   0.0000  821.724   56.649  ?   ?       ?      ? 
1 1 1    7   15   30 o  1703.98   34.465   74.739   2.8564   73.802   3.5011   76.603   4.9395  1690.11   40.292  1717.86   55.927 -27.75366 68.92960 
1 1 1    7   15   32 o  146.017   32.824   0.4619   0.2876   0.2073   0.3693   0.8538   0.4583  113.513   44.116  178.521   48.616 -65.00810 65.64806 
1 1 1    7   15   34 o  120.570   32.830   0.2548   0.2621   0.2657   0.3048   0.2239   0.5133  112.100   40.810  129.041   51.438 -16.94100 65.66039 
1 1 1    7   15   36 f  526.086   36.822   7.3938   0.9294   7.6940   1.1411   6.8024   1.6016  544.079   40.795  508.093   61.311 35.98624 73.64313 
1 1 1    7   15   38 o  510.900   35.979   6.7731   0.8990   6.5964   1.1058   7.1176   1.5440  502.761   42.781  519.039   57.859 -16.27786 71.95791 
1 1 1    7   15   40 o  199.266   63.886   1.0482   0.7412   1.0482   0.7412   0.0000   0.0000  199.266   63.886  ?   ?       ?      ? 
1 1 1    7   15   42 o  326.421   45.514   2.9494   0.7456   3.8178   1.0740   2.1416   1.0359  378.152   55.243  274.691   72.348 103.4607 91.02744 
1 1 1    7   15   44 o  290.316   46.674   2.3907   0.6813   2.5519   0.9682   2.2326   0.9588  300.640   64.569  279.992   67.416 20.64807 93.34867 
1 1 1    7   15   46 o  644.663   43.775   11.425   1.4412   12.996   2.0546   9.9042   2.0220  690.959   57.836  598.367   65.727 92.59174 87.55049 
1 1 1    7   15   48 o  511.176   37.885   7.0447   0.9334   6.9341   1.1359   7.2744   1.6377  509.863   43.333  512.489   62.155 -2.626343 75.76958 
1 1 1    7   15   50 o  596.782   44.038   9.5740   1.3512   9.5740   1.3512   0.0000   0.0000  596.782   44.038  ?   ?       ?      ? 
1 1 1    7   15   52 o  842.993   40.437   20.914   1.5983   22.971   1.9751   17.013   2.7204  922.874   41.627  763.112   69.339 159.7618 80.87435 
1 1 1    7   15   54 o  167.200   39.346   0.6246   0.4494   0.0000   0.6116   1.3577   0.6626  120.662   52.563  213.738   58.563 -93.07552 78.69267 
1 1 1    7   15   56 o  413.884   48.337   5.6794   0.8750   6.3700   1.0623   4.2222   1.5431  479.346   43.105  348.422   86.533 130.9242 96.67482 
1 1 1    7   16    1 o  1101.38   31.665   31.699   1.7447   32.772   2.2457   30.063   2.7711  1126.10   38.788  1076.65   50.062 49.45154 63.33041 
1 1 1    7   16    3 o  1226.59   41.990   38.449   2.4892   37.120   3.0175   41.280   4.4041  1196.47   49.054  1256.71   68.164 -60.23694 83.97961 
1 1 1    7   16    5 o  923.627   39.879   22.521   1.7156   21.380   3.1462   23.004   2.0466  904.368   67.667  942.886   42.219 -38.51831 79.75718 
1 1 1    7   16    7 o  1601.07   30.001   66.388   2.4674   63.736   3.5079   68.985   3.4712  1569.13   43.483  1633.00   41.345 -63.87183 60.00166 
1 1 1    7   16    9 o  615.996   34.931   9.8013   1.0652   9.9761   1.7695   9.7020   1.3340  619.589   55.548  612.403   42.369 7.186279 69.86253 
1 1 1    7   16   11 o  1218.79   38.528   38.540   2.4142   38.217   3.4098   38.865   3.4186  1213.63   54.648  1223.95   54.326 -10.31531 77.05688 
1 1 1    7   16   13 o  1689.48   33.850   74.415   2.7675   75.640   3.3997   72.008   4.7651  1712.02   38.624  1666.94   55.601 45.08020 67.70026 
1 1 1    7   16   15 o  149.336   28.983   0.5958   0.2411   0.8246   0.3291   0.3307   0.3543  175.503   37.607  123.169   44.111 52.33438 57.96598 
1 1 1    7   16   17 o  1685.06   27.861   73.185   2.4125   72.427   3.3533   73.999   3.4735  1676.08   38.915  1694.05   39.882 -17.96472 55.72140 
1 1 1    7   16   19 o  2084.98   34.164  112.647   3.4707  110.917   5.9223  113.552   4.2833  2071.29   55.614  2098.68   39.697 -27.38892 68.32807 
1 1 1    7   16   21 o  2137.63   27.877  117.774   3.0630  114.096   4.2934  121.585   4.3710  2103.62   39.697  2171.65   39.149 -68.02515 55.75447 
1 1 1    7   16   23 o  1528.83   27.975   60.273   2.1983   58.330   3.0919   62.259   3.1260  1503.87   39.989  1553.80   39.131 -49.93494 55.94993 
1 1 1    7   16   25 o  1018.62   28.150   26.769   1.4742   26.570   2.0806   26.969   2.0890  1014.82   39.878  1022.42   39.741 -7.601074 56.29957 
1 1 1    7   16   27 f  1634.75   40.084   69.266   3.3673   66.458   4.7378   72.133   4.7868  1601.06   57.557  1668.44   55.804 -67.38147 80.16837 
1 1 1    7   16   29 o  320.205   39.624   2.8268   0.5808   3.0221   0.7045   2.4120   1.0265  342.038   40.061  298.372   68.378 43.66592 79.24897 
1 1 1    7   16   31 o  887.325   36.019   20.898   1.5306   19.130   2.6461   21.787   1.8764  856.793   60.069  917.857   39.764 -61.06451 72.03833 
1 1 1    7   16   33 o  243.940   33.615   1.6019   0.4059   1.6661   0.5622   1.5319   0.5867  249.519   45.498  238.362   49.496 11.15695 67.23040 
1 1 1    7   16   35 o  263.359   32.387   1.8314   0.4288   1.6915   0.5952   1.9823   0.6183  250.672   47.934  276.046   43.566 -25.37381 64.77409 
1 1 1    7   16   37 o  659.374   36.144   11.475   1.1527   11.619   1.4151   11.191   1.9874  667.871   41.211  650.876   59.389 16.99481 72.28717 
1 1 1    7   16   39 o  314.615   63.426   2.7294   0.9905   2.7294   0.9905   0.0000   0.0000  314.615   63.426  ?   ?       ?      ? 
1 1 1    7   16   41 o  696.813   42.853   13.064   1.5224   11.087   2.1336   15.116   2.1729  640.860   64.755  752.765   56.145 -111.9050 85.70609 
1 1 1    7   16   43 o  508.049   39.852   7.3693   0.9370   8.1438   1.1457   5.8045   1.6286  556.436   40.048  459.661   68.912 96.77512 79.70383 
1 1 1    7   16   45 o  216.371   45.405   1.3092   0.5621   0.8514   0.8139   1.7268   0.7772  185.974   66.828  246.767   61.486 -60.79276 90.81041 
1 1 1    7   16   47 o  337.960   39.305   3.1079   0.6343   3.0111   0.7830   3.2928   1.0818  335.680   45.368  340.239   64.196 -4.558868 78.60900 
1 1 1    7   16   49 o  230.206   67.321   1.5410   0.8472   1.5410   0.8472   0.0000   0.0000  230.206   67.321  ?   ?       ?      ? 
1 1 1    7   16   51 o  445.114   40.004   5.5325   0.8548   5.5472   1.0432   5.5024   1.4911  452.539   44.836  437.690   66.264 14.84894 80.00759 
1 1 1    7   16   53 o  236.614   45.493   1.6114   0.6272   0.6780   0.8574   2.6864   0.9201  171.813   67.093  301.415   61.456 -129.6013 90.98518 
1 1 1    7   16   55 o  491.484   42.894   7.3642   0.9791   7.9068   1.1967   6.2659   1.7027  535.054   43.504  447.915   73.939 87.13821 85.78809 
1 1 1    7   17    0 o  257.320   92.026   2.2709   1.1119   0.0000   0.0000   2.2709   1.1119  257.320   92.026  257.320   92.026 -0.000000 0.000000 
1 1 1    7   17    2 o  1384.36   40.969   48.269   2.7937   55.448   4.8116   44.619   3.4314  1457.55   64.210  1311.18   50.902 146.3735 81.93842 
1 1 1    7   17    4 o  642.680   37.996   10.113   1.1762   12.511   2.1518   9.0915   1.4047  692.980   60.396  592.381   46.121 100.5998 75.99267 
1 1 1    7   17    6 o  513.893   36.967   6.7301   0.9184   7.2213   1.6242   6.4992   1.1135  526.638   59.987  501.148   43.218 25.48984 73.93436 
1 1 1    7   17    8 o  1320.13   35.758   44.976   2.3088   45.848   3.9410   44.520   2.8490  1328.14   57.715  1312.11   42.233 16.02905 71.51672 
1 1 1    7   17   10 o  1072.19   33.850   29.810   1.7905   29.960   2.2404   29.546   2.9787  1076.95   40.462  1067.44   54.277 9.514038 67.69902 
1 1 1    7   17   12 o  1167.23   28.637   35.131   1.7167   34.478   2.3654   35.858   2.4953  1155.86   39.805  1178.59   41.181 -22.73120 57.27387 
1 1 1    7   17   14 o  1274.33   28.282   41.955   1.8485   43.060   2.5482   40.728   2.6856  1292.24   38.354  1256.43   41.575 35.81396 56.56470 
1 1 1    7   17   16 o  2732.26   27.967  192.332   3.9262  188.527   5.4384  196.474   5.6741  2704.15   39.117  2760.37   39.981 -56.22461 55.93465 
1 1 1    7   17   18 o  1663.17   40.324   71.637   3.4390   73.139   4.7260   69.947   5.0137  1682.13   54.647  1644.20   59.310 37.92639 80.64757 
1 1 1    7   17   20 o  765.339   28.048   15.095   1.1034   14.737   1.5397   15.472   1.5819  756.021   39.612  774.658   39.720 -18.63660 56.09617 
1 1 1    7   17   22 o  881.610   28.549   20.188   1.2820   23.166   1.8042   17.152   1.8220  947.966   37.019  815.254   43.471 132.7123 57.09722 
1 1 1    7   17   24 o  128.174   28.577   0.3996   0.2243   0.1707   0.3254   0.6066   0.3095  105.719   41.320  150.630   39.487 -44.91134 57.15333 
1 1 1    7   17   26 o  1084.01   40.399   30.518   2.2349   25.940   3.1217   35.331   3.2009  999.865   60.727  1168.15   53.297 -168.2821 80.79836 
1 1 1    7   17   28 o  1625.60   28.331   68.275   2.3663   65.218   3.3367   71.369   3.3563  1588.83   40.847  1662.38   39.270 -73.55237 56.66269 
1 1 1    7   17   30 o  872.498   40.812   19.817   1.8263   18.093   2.5641   21.591   2.6017  833.585   59.830  911.411   55.524 -77.82623 81.62403 
1 1 1    7   17   32 o  666.286   29.035   11.521   0.9921   10.567   1.4019   12.478   1.4041  638.396   42.713  694.177   39.342 -55.78101 58.07018 
1 1 1    7   17   34 o  1348.69   28.834   47.236   1.9989   48.242   2.8215   46.221   2.8324  1363.29   40.255  1334.08   41.295 29.20154 57.66901 
1 1 1    7   17   36 o  1006.89   29.296   26.451   1.5089   23.244   2.1202   29.742   2.1477  944.207   43.676  1069.57   39.057 -125.3626 58.59258 
1 1 1    7   17   38 o  1056.86   41.869   29.644   2.2748   29.884   3.2056   29.400   3.2287  1061.44   58.742  1052.29   59.679 9.156494 83.73891 
1 1 1    7   17   40 o  298.434   46.705   2.4561   0.7012   1.8735   0.9488   3.1570   1.0407  258.445   69.776  338.422   62.104 -79.97711 93.41032 
1 1 1    7   17   42 o  705.990   36.382   13.316   1.2476   13.397   1.5368   13.158   2.1367  713.344   41.903  698.637   59.487 14.70703 72.76415 
1 1 1    7   17   44 o  952.985   36.793   24.315   1.6997   24.202   2.0843   24.541   2.9365  956.427   42.388  949.544   60.152 6.883667 73.58627 
1 1 1    7   17   46 o  180.631   38.811   0.8131   0.3720   0.6449   0.4479   1.1871   0.6679  155.701   49.638  205.562   59.676 -49.86165 77.62125 
1 1 1    7   17   48 o  172.298   38.724   0.7394   0.4135   0.3047   0.5669   1.2334   0.6044  135.997   54.105  208.598   55.415 -72.60121 77.44811 
1 1 1    7   17   50 o  398.819   50.136   4.7720   0.9709   2.9100   1.3574   6.7225   1.3892  304.613   83.969  493.026   54.806 -188.4136 100.2719 
1 1 1    7   17   52 o  402.890   34.685   4.0996   0.6284   3.7291   0.7180   5.3128   1.2994  373.022   37.437  432.758   58.401 -59.73615 69.36966 
1 1 1    7   17   54 o  302.847   33.921   2.2173   0.4770   1.8164   0.5496   3.4416   0.9604  257.785   41.469  347.909   53.693 -90.12439 67.84297 
1 1 1    7   17   56 o  445.046   38.571   5.6302   0.7566   5.4908   0.8707   6.0598   1.5288  447.856   37.813  442.237   67.239 5.618378 77.14221 
1 1 1    7   18    1 o  1113.84   41.084   32.173   2.2069   32.563   3.8674   31.985   2.6874  1116.56   67.370  1111.12   47.043 5.437622 82.16894 
1 1 1    7   18    3 o  1012.30   33.286   26.589   1.7254   26.028   2.5417   27.069   2.3496  1002.00   49.340  1022.60   44.691 -20.60095 66.57104 
1 1 1    7   18    5 o  688.991   40.519   12.670   1.3072   11.500   2.3467   13.196   1.5741  663.688   68.774  714.294   42.862 -50.60645 81.03706 
1 1 1    7   18    7 o  733.323   41.036   13.960   1.5335   14.009   2.3295   13.922   2.0372  733.981   61.732  732.666   54.082 1.314209 82.07137 
1 1 1    7   18    9 o  1301.32   34.741   44.458   2.2366   46.374   2.8390   41.325   3.6314  1340.05   41.207  1262.58   55.943 77.47058 69.48112 
1 1 1    7   18   11 o  1253.70   29.087   40.514   1.8730   38.068   2.6040   43.137   2.6959  1214.46   41.705  1292.94   40.557 -78.47510 58.17323 
1 1 1    7   18   13 o  1383.24   28.624   49.417   2.0316   50.623   2.8075   48.093   2.9435  1401.14   38.974  1365.34   41.933 35.79492 57.24826 
1 1 1    7   18   15 o  2477.00   28.264  158.124   3.5948  156.743   4.9511  159.664   5.2279  2465.74   39.056  2488.26   40.866 -22.52588 56.52772 
1 1 1    7   18   17 o  3265.93   40.526  274.683   6.7869  260.250   9.1995  291.921   10.054  3172.50   56.402  3359.36   58.209 -186.8552 81.05212 
1 1 1    7   18   19 f  533.800   28.219   7.3427   0.7741   7.2083   1.0759   7.4870   1.1146  528.750   39.578  538.849   40.233 -10.09882 56.43714 
1 1 1    7   18   21 o  2349.09   28.082  142.349   3.3899  143.730   4.7363  140.898   4.8541  2360.91   39.020  2337.27   40.395 23.63452 56.16333 
1 1 1    7   18   23 o  564.046   28.414   8.2029   0.8235   7.8046   1.1503   8.6215   1.1793  549.988   40.682  578.104   39.679 -28.11639 56.82824 
1 1 1    7   18   25 f  1304.76   39.895   44.118   2.6731   41.369   3.7546   46.944   3.8065  1263.27   57.809  1346.24   54.996 -82.96924 79.78998 
1 1 1    7   18   27 o  1036.20   28.315   27.744   1.5075   28.813   2.1300   26.671   2.1339  1056.31   39.221  1016.10   40.849 40.21649 56.62984 
1 1 1    7   18   29 o  1327.98   40.362   45.841   2.7557   45.475   3.8803   46.213   3.9141  1322.63   57.063  1333.32   57.099 -10.68909 80.72475 
1 1 1    7   18   31 o  133.410   32.074   0.4246   0.2631   0.3839   0.3644   0.4689   0.3802  128.758   44.856  138.062   45.858 -9.303101 64.14867 
1 1 1    7   18   33 o  306.466   32.891   2.5465   0.4848   3.3609   0.6857   1.7325   0.6856  360.159   37.031  252.774   54.368 107.3858 65.78108 
1 1 1    7   18   35 o  1191.37   29.079   36.948   1.7774   33.962   2.4974   40.012   2.5301  1142.08   42.532  1240.66   39.665 -98.58093 58.15757 
1 1 1    7   18   37 o  1232.84   35.799   40.057   2.1434   39.612   3.6785   40.286   2.6374  1223.09   58.498  1242.59   41.284 -19.50464 71.59888 
1 1 1    7   18   39 o  721.929   35.889   13.510   1.2644   12.965   1.5470   14.606   2.1944  703.264   42.785  740.594   57.633 -37.32941 71.77830 
1 1 1    7   18   41 o  468.747   30.043   5.7802   0.7236   5.5176   1.0139   6.0528   1.0331  457.747   43.082  479.747   41.884 -22.00015 60.08631 
1 1 1    7   18   43 o  614.789   38.000   10.324   1.1216   10.676   1.3778   9.6335   1.9308  635.669   42.160  593.909   63.235 41.75940 76.00029 
1 1 1    7   18   45 o  408.907   38.212   4.3572   0.7522   4.0682   0.9039   5.0081   1.3564  390.791   44.987  427.023   61.781 -36.23154 76.42417 
1 1 1    7   18   47 o  622.183   38.145   10.581   1.1432   10.668   1.3995   10.405   1.9818  632.390   43.044  611.977   62.987 20.41193 76.29003 
1 1 1    7   18   49 o  248.483   51.317   1.7398   0.6339   1.7398   0.6339   0.0000   0.0000  248.483   51.317  ?   ?       ?      ? 
1 1 1    7   18   51 o  346.809   46.807   4.1749   0.7444   5.2611   0.9100   1.9769   1.2945  442.341   40.012  251.277   84.631 191.0635 93.61307 
1 1 1    7   18   53 o  168.736   39.034   0.8090   0.3800   0.8668   0.4589   0.6830   0.6778  173.764   49.163  163.708   60.644 10.05667 78.06837 
1 1 1    7   18   55 o  435.588   38.678   5.2349   0.7335   5.0047   0.8350   6.0125   1.5350  428.368   37.915  442.808   67.426 -14.43909 77.35511 
1 1 1    7   19    0 o  1110.96   66.968   32.289   3.7932   0.0000   0.0000   32.289   3.7932  1110.96   66.968  1110.96   66.968 0.000000 0.000000 
1 1 1    7   19    2 o  804.764   40.086   17.049   1.6041   17.835   2.0531   15.816   2.5702  830.028   48.111  779.500   64.132 50.52777 80.17268 
1 1 1    7   19    4 o  2528.73   37.636  165.632   4.8226  165.014   6.3039  166.503   7.4884  2524.81   48.564  2532.65   57.510 -7.837891 75.27197 
1 1 1    7   19    6 o  1722.88   35.875   77.323   3.1202   79.563   4.0792   74.163   4.8438  1754.38   45.226  1691.37   55.703 63.01038 71.75095 
1 1 1    7   19    8 o  1425.97   30.510   52.464   2.2359   54.395   3.2138   50.654   3.1127  1451.38   43.069  1400.56   43.228 50.81738 61.02097 
1 1 1    7   19   10 o  2397.25   29.626  148.268   3.6501  142.898   5.1278  153.785   5.1968  2353.15   42.385  2441.35   41.404 -88.20801 59.25147 
1 1 1    7   19   12 o  1222.46   29.044   38.543   1.8242   38.509   2.5325   38.580   2.6298  1221.97   40.310  1222.95   41.826 -0.9770508 58.08868 
1 1 1    7   19   14 o  1290.92   28.690   43.024   1.9003   43.937   2.6229   42.016   2.7571  1305.49   39.078  1276.35   42.016 29.13696 57.37960 
1 1 1    7   19   16 o  2177.24   36.365  121.573   3.6823  120.402   4.3516  124.524   6.9106  2161.14   39.165  2193.33   61.283 -32.19507 72.72920 
1 1 1    7   19   18 o  410.319   37.015   4.5376   0.7311   3.7655   1.2144   4.9765   0.9157  381.336   61.941  439.302   40.542 -57.96555 74.02965 
1 1 1    7   19   20 o  862.477   28.259   19.188   1.2523   19.301   1.7442   19.069   1.7991  865.130   39.214  859.825   40.699 5.304626 56.51724 
1 1 1    7   19   22 o  1647.09   28.189   70.011   2.3859   70.860   3.3340   69.119   3.4159  1657.44   39.125  1636.75   40.593 20.69275 56.37870 
1 1 1    7   19   24 o  1285.71   40.021   42.904   2.6396   46.018   3.7247   39.763   3.7413  1333.05   54.347  1238.37   58.762 94.67737 80.04163 
1 1 1    7   19   26 o  1562.53   28.320   63.078   2.2742   64.766   3.2044   61.365   3.2281  1583.72   39.354  1541.33   40.736 42.38672 56.64076 
1 1 1    7   19   28 o  635.515   36.425   10.766   1.1031   11.313   1.3498   9.6654   1.9141  661.639   39.680  609.390   61.095 52.24939 72.85002 
1 1 1    7   19   30 o  1143.35   34.771   33.532   1.9379   35.302   3.3561   32.646   2.3736  1163.91   56.085  1122.79   41.118 41.11682 69.54289 
1 1 1    7   19   32 o  348.751   34.859   3.3770   0.5653   4.7445   0.7945   1.9750   0.8044  428.065   36.100  269.438   59.644 158.6262 69.71803 
1 1 1    7   19   34 o  716.902   29.281   13.416   1.0719   11.590   1.5105   15.268   1.5214  667.037   44.047  766.767   38.592 -99.73010 58.56152 
1 1 1    7   19   36 o  285.987   39.917   2.1367   0.5491   2.6145   0.9229   1.8749   0.6832  309.328   60.200  262.645   52.434 46.68307 79.83362 
1 1 1    7   19   38 f  161.903   37.750   0.6768   0.3516   0.7476   0.4179   0.5052   0.6505  166.355   46.862  157.450   59.197 8.904663 75.50074 
1 1 1    7   19   40 o  791.826   38.796   17.624   1.4436   14.204   2.4677   19.403   1.7798  723.580   66.335  860.072   40.251 -136.4916 77.59171 
1 1 1    7   19   42 o  539.289   30.629   7.7311   0.8412   6.5492   1.1905   8.9099   1.1889  496.709   46.617  581.869   39.743 -85.16064 61.25895 
1 1 1    7   19   44 o  287.015   42.522   2.2089   0.5675   2.0288   0.6768   2.6355   1.0416  271.175   50.400  302.856   68.501 -31.68130 85.04444 
1 1 1    7   19   46 o  520.276   37.320   7.2523   0.9415   7.0798   1.1501   7.6030   1.6396  515.362   43.405  525.190   60.723 -9.827454 74.64098 
1 1 1    7   19   48 o  486.347   44.774   6.3586   1.1196   6.3586   1.1196   0.0000   0.0000  486.347   44.774  ?   ?       ?      ? 
1 1 1    7   19   50 f  634.030   47.081   11.666   1.4759   8.2056   2.0508   15.383   2.1258  525.210   75.950  742.851   55.661 -217.6408 94.16204 
1 1 1    7   19   52 o  416.065   39.777   4.8528   0.8018   4.7362   0.9808   5.0877   1.3923  415.119   45.954  417.011   64.940 -1.892029 79.55431 
1 1 1    7   19   54 o  270.689   42.861   2.5629   0.6095   3.3156   0.7461   1.0538   1.0565  347.261   41.791  194.117   74.844 153.1440 85.72144 
1 1 1    7   20    1 o  337.352   31.343   2.8837   0.5373   2.5813   0.6981   3.3233   0.8417  316.124   42.951  358.580   45.658 -42.45596 62.68517 
1 1 1    7   20    3 o  1354.83   30.225   47.298   2.0894   46.576   2.7786   48.238   3.1694  1343.31   40.233  1366.35   45.118 -23.04626 60.45073 
1 1 1    7   20    5 o  629.502   29.589   10.177   0.9523   9.7664   1.2707   10.703   1.4382  615.200   40.174  643.804   43.451 -28.60400 59.17736 
1 1 1    7   20    7 o  2372.02   31.229  145.169   3.8029  146.880   5.5443  143.649   5.2261  2384.97   45.216  2359.08   43.089 25.89185 62.45872 
1 1 1    7   20    9 o  1177.05   30.331   35.732   1.8351   36.659   2.6267   34.849   2.5649  1191.95   42.863  1162.15   42.927 29.79736 60.66297 
1 1 1    7   20   11 o  3111.45   29.604  249.635   4.7346  241.960   6.6387  257.579   6.7542  3062.73   42.160  3160.18   41.571 -97.45752 59.20870 
1 1 1    7   20   13 o  1116.48   35.463   32.088   1.9419   32.547   3.2925   31.843   2.4046  1121.82   57.086  1111.14   42.093 10.67834 70.92661 
1 1 1    7   20   15 o  986.783   37.816   25.280   1.7101   25.422   2.0097   24.906   3.2556  993.035   39.365  980.532   64.580 12.50366 75.63163 
1 1 1    7   20   17 f  1123.53   34.047   31.926   1.8984   35.103   3.1883   30.181   2.3628  1165.40   53.213  1081.66   42.488 83.73181 68.09489 
1 1 1    7   20   19 o  505.899   28.904   6.5930   0.7512   6.3814   1.0376   6.8260   1.0889  497.392   40.576  514.405   41.174 -17.01245 57.80750 
1 1 1    7   20   21 o  1956.28   28.334   98.803   2.8471  100.727   3.9662   96.757   4.0895  1976.12   39.038  1936.43   41.077 39.68555 56.66814 
1 1 1    7   20   23 o  1728.53   34.205   76.428   2.9010   80.004   4.9500   74.558   3.5803  1757.57   54.780  1699.49   40.976 58.08350 68.40953 
1 1 1    7   20   25 o  639.012   33.753   10.103   1.0573   9.1426   1.2873   12.093   1.8537  594.859   42.091  683.165   52.776 -88.30664 67.50555 
1 1 1    7   20   27 f  791.606   28.550   16.190   1.1618   15.904   1.6272   16.488   1.6592  784.465   40.346  798.748   40.404 -14.28284 57.09919 
1 1 1    7   20   29 o  397.829   39.693   4.4333   0.7218   3.4689   1.2183   4.9549   0.8960  358.089   68.673  437.568   39.829 -79.47931 79.38670 
1 1 1    7   20   31 o  482.746   29.632   6.0539   0.7271   4.9185   1.0070   7.2909   1.0511  435.049   45.021  530.444   38.542 -95.39487 59.26493 
1 1 1    7   20   33 o  766.033   29.097   15.252   1.1456   14.716   1.6104   15.801   1.6299  752.308   41.636  779.757   40.656 -27.44940 58.19359 
1 1 1    7   20   35 o  402.936   30.794   4.2500   0.6308   3.4740   0.8786   5.0754   0.9061  364.378   46.898  441.493   39.920 -77.11499 61.58740 
1 1 1    7   20   37 o  263.599   40.139   1.9216   0.5069   2.0090   0.6166   1.7395   0.8902  276.985   43.296  250.213   67.601 26.77225 80.27775 
1 1 1    7   20   39 o  936.648   42.494   23.538   2.0460   23.989   2.8950   23.087   2.8920  945.997   59.524  927.299   60.661 18.69800 84.98745 
1 1 1    7   20   41 o  313.101   33.280   2.6655   0.5134   3.1632   0.7198   2.1502   0.7325  346.721   40.381  279.481   52.913 67.23932 66.56099 
1 1 1    7   20   43 o  785.883   30.108   16.360   1.2163   15.952   1.7133   16.775   1.7268  775.799   42.956  795.968   42.198 -20.16888 60.21511 
1 1 1    7   20   45 o  690.027   30.490   12.674   1.0811   13.157   1.5326   12.195   1.5254  703.521   42.372  676.533   43.855 26.98798 60.98073 
1 1 1    7   20   47 o   86.401   36.986   0.0000   0.2927   0.0000   0.2927   0.0000   0.0000   86.401   36.986  ?   ?       ?      ? 
1 1 1    7   20   49 o  445.213   47.585   5.6902   1.0888   5.5322   1.5141   5.8594   1.5668  438.962   67.089  451.464   67.501 -12.50201 95.16959 
1 1 1    7   20   51 f  396.418   47.330   5.1022   0.8337   6.0166   1.0308   3.3728   1.4176  470.688   42.598  322.148   84.533 148.5408 94.65920 
1 1 1    7   20   53 o  191.875   35.826   1.2402   0.4133   1.6290   0.4737   0.0000   0.8461  245.312   37.561  138.438   61.018 106.8744 71.65217 
1 1 1    7   20   55 o  522.210   39.499   7.6705   1.0207   6.7778   1.2571   9.3978   1.7487  485.798   50.333  558.621   60.886 -72.82364 78.99702 
1 1 1    7   21    0 o  1191.97   49.921   37.513   2.9968   32.228   4.3393   42.333   4.1438  1108.20   77.014  1275.73   63.538 0.000000 0.000000 
1 1 1    7   21    2 o  576.714   28.189   8.5744   0.8337   9.4364   1.1974   7.7633   1.1615  604.897   38.501  548.531   41.185 56.36639 56.37806 
1 1 1    7   21    4 o  281.004   28.957   2.0480   0.4159   1.8216   0.5949   2.2645   0.5816  265.662   43.554  296.346   38.173 -30.68402 57.91459 
1 1 1    7   21    6 o  1256.15   32.128   40.782   2.0692   40.008   3.0240   41.463   2.8375  1244.73   47.254  1267.57   43.541 -22.84900 64.25567 
1 1 1    7   21    8 o  1047.05   31.308   28.399   1.6786   26.575   2.4320   30.058   2.3198  1014.60   46.623  1079.49   41.798 -64.89478 62.61619 
1 1 1    7   21   10 o  2221.20   30.359  127.264   3.4666  127.495   4.9418  127.040   4.8641  2223.12   43.236  2219.27   42.631 3.855469 60.71848 
1 1 1    7   21   12 o  619.461   29.832   9.8894   0.9490   9.2347   1.3237   10.582   1.3612  598.341   43.029  640.580   41.332 -42.23932 59.66399 
1 1 1    7   21   14 o  1398.97   40.039   52.315   2.5237   54.321   2.9637   47.022   4.8135  1451.53   39.714  1346.41   69.537 105.1149 80.07846 
1 1 1    7   21   16 o  715.698   36.187   13.598   1.2600   12.035   2.0916   14.489   1.5786  681.860   59.666  749.536   40.964 -67.67590 72.37434 
1 1 1    7   21   18 o  544.204   29.146   7.6585   0.8131   7.9432   1.1215   7.3430   1.1806  554.979   39.304  533.428   43.048 21.55170 58.29169 
1 1 1    7   21   20 o  1527.73   28.451   60.216   2.2327   60.195   3.0925   60.238   3.2267  1527.57   39.376  1527.88   41.077 -0.3105469 56.90209 
1 1 1    7   21   22 o  1734.22   39.644   77.922   3.5347   77.486   4.9988   78.358   4.9987  1729.34   56.224  1739.11   55.907 -9.772095 79.28848 
1 1 1    7   21   24 o  1349.54   34.076   46.398   2.2392   44.923   2.7358   49.393   3.8974  1318.87   40.348  1380.21   54.924 -61.34058 68.15134 
1 1 1    7   21   26 o  1123.54   28.650   32.600   1.6543   31.396   2.3077   33.873   2.3726  1102.18   40.725  1144.89   40.308 -42.70984 57.29985 
1 1 1    7   21   28 o  1394.45   40.949   50.710   2.9337   51.632   4.0977   49.741   4.2021  1407.88   56.611  1381.01   59.183 26.86938 81.89896 
1 1 1    7   21   30 o  696.505   28.929   12.580   1.0355   12.109   1.4569   13.061   1.4721  683.250   41.474  709.759   40.342 -26.50842 57.85820 
1 1 1    7   21   32 o  551.873   29.593   7.9155   0.8391   7.5225   1.1759   8.3231   1.1977  537.822   42.527  565.925   41.163 -28.10242 59.18519 
1 1 1    7   21   34 o  1264.11   29.031   41.622   1.8867   41.477   2.6551   41.770   2.6815  1261.93   40.923  1266.28   41.189 -4.348145 58.06205 
1 1 1    7   21   36 o  388.441   42.811   4.0144   0.8547   3.8721   1.1993   4.1613   1.2183  381.308   61.176  395.575   59.905 -14.26682 85.62178 
1 1 1    7   21   38 o  424.003   36.429   4.3118   0.7435   3.5642   0.8821   6.1461   1.3818  367.722   46.658  480.283   55.958 -112.5609 72.85799 
1 1 1    7   21   40 o  145.404   33.237   0.5505   0.2863   0.6476   0.3780   0.4198   0.4387  154.827   44.877  135.981   49.038 18.84564 66.47339 
1 1 1    7   21   42 o  505.338   31.316   6.8252   0.7976   5.2496   1.1141   8.4816   1.1423  443.333   48.878  567.343   39.162 -124.0104 62.63210 
1 1 1    7   21   44 o  553.133   30.646   8.1380   0.8715   8.1376   1.2375   8.1383   1.2275  553.042   43.524  553.224   43.156 -0.1813354 61.29256 
1 1 1    7   21   46 o  376.653   41.581   3.8621   0.7312   4.2248   1.3089   3.6975   0.8816  382.307   69.135  371.000   46.221 11.30682 83.16270 
1 1 1    7   21   48 o  588.055   36.500   8.9431   1.0645   7.5510   1.3109   11.639   1.8243  526.871   48.394  649.238   54.654 -122.3672 72.99972 
1 1 1    7   21   50 o  300.673   42.929   2.5183   0.6020   2.2971   0.7222   3.0220   1.0899  284.630   51.240  316.716   68.892 -32.08572 85.85845 
1 1 1    7   21   52 o  557.990   44.031   9.6615   1.1311   10.934   1.4032   7.3004   1.9112  631.499   43.218  484.481   76.728 147.0185 88.06266 
1 1 1    7   21   54 o  173.026   40.202   0.8205   0.3881   0.7085   0.4646   1.0792   0.7061  157.265   50.597  188.788   62.487 -31.52338 80.40340 
1 1 1    7   22    1 o  1366.00   31.300   48.268   2.1600   48.790   2.8138   47.520   3.3705  1375.51   39.789  1356.48   48.329 19.03748 62.60065 
1 1 1    7   22    3 o  1424.11   27.864   52.258   2.0391   53.379   2.9406   51.220   2.8300  1438.78   39.753  1409.45   39.054 29.32483 55.72770 
1 1 1    7   22    5 o  1916.96   33.148   95.063   3.2553   92.225   4.7688   97.538   4.4546  1889.73   49.084  1944.19   44.565 -54.45996 66.29663 
1 1 1    7   22    7 o  1550.63   31.891   61.879   2.5385   65.117   3.7176   59.050   3.4747  1588.48   45.520  1512.79   44.676 75.69373 63.78110 
1 1 1    7   22    9 o  754.812   31.340   14.669   1.2133   16.158   1.7565   13.309   1.6780  791.458   43.167  718.166   45.447 73.29285 62.68056 
1 1 1    7   22   11 o  540.935   30.818   7.5501   0.8561   8.0315   1.2181   7.0802   1.2034  558.025   42.457  523.845   44.681 34.18024 61.63576 
1 1 1    7   22   13 o  1489.51   40.690   59.042   2.7439   61.028   3.2265   53.854   5.2156  1538.37   40.795  1440.66   70.416 97.71570 81.37949 
1 1 1    7   22   15 o  2037.39   35.951  108.906   3.5742  101.822   5.9941  112.815   4.4522  1983.44   58.781  2091.35   41.408 -107.9111 71.90118 
1 1 1    7   22   17 o  1125.39   28.870   32.606   1.6686   31.247   2.2953   34.129   2.4298  1100.59   40.565  1150.18   41.090 -49.58704 57.73995 
1 1 1    7   22   19 o  302.549   30.613   2.3891   0.4708   2.6279   0.6426   2.1123   0.6919  319.169   39.160  285.930   47.066 33.23962 61.22681 
1 1 1    7   22   21 o  655.437   40.342   11.185   1.3480   12.914   1.9140   9.4841   1.8987  706.310   52.709  604.564   61.087 101.7465 80.68356 
1 1 1    7   22   23 o  1390.73   28.643   49.965   2.0467   50.260   2.8490   49.650   2.9421  1395.10   39.721  1386.35   41.278 8.754761 57.28531 
1 1 1    7   22   25 o  1586.25   28.593   65.050   2.3305   65.899   3.2545   64.156   3.3389  1597.04   39.637  1575.45   41.222 21.58936 57.18671 
1 1 1    7   22   27 o  828.481   41.355   17.870   1.7602   17.319   2.4328   18.475   2.5498  815.189   58.048  841.773   58.917 -26.58405 82.70915 
1 1 1    7   22   29 o  270.896   33.957   1.9930   0.4465   1.0950   0.6156   2.9902   0.6487  201.943   56.869  339.849   37.124 -137.9068 67.91398 
1 1 1    7   22   31 o  480.747   29.479   6.0018   0.7265   5.3960   1.0106   6.6494   1.0450  455.480   43.158  506.013   40.168 -50.53339 58.95843 
1 1 1    7   22   33 o  766.522   29.394   15.304   1.1583   15.053   1.6320   15.558   1.6443  760.147   41.759  772.897   41.379 -12.74976 58.78851 
1 1 1    7   22   35 o  391.573   43.654   4.0732   0.8778   3.8244   1.2122   4.3475   1.2728  378.920   62.223  404.225   61.246 -25.30481 87.30824 
1 1 1    7   22   37 o  553.016   30.145   8.0493   0.8526   8.9774   1.2055   7.1204   1.2060  585.675   40.034  520.357   45.079 65.31793 60.28997 
1 1 1    7   22   39 o  923.931   38.313   23.766   1.6793   20.032   2.8644   25.722   2.0730  858.628   64.887  989.233   40.760 -130.6042 76.62669 
1 1 1    7   22   41 o  449.608   30.950   5.3462   0.7142   4.9308   0.9909   5.7954   1.0304  431.173   44.699  468.043   42.821 -36.87015 61.90031 
1 1 1    7   22   43 o  434.581   31.453   5.0663   0.6904   3.9776   0.9682   6.1927   0.9848  385.139   48.897  484.023   39.575 -98.88361 62.90535 
1 1 1    7   22   45 o  519.682   41.946   7.9832   0.9990   5.9591   1.7202   9.0132   1.2272  457.130   73.192  582.234   40.995 -125.1035 83.89119 
1 1 1    7   22   47 o  135.549   32.453   0.4667   0.2688   0.5189   0.3956   0.4219   0.3663  140.962   46.779  130.135   44.995 10.82771 64.90585 
1 1 1    7   22   49 o  192.031   44.412   1.0582   0.5223   1.3285   0.6792   0.6672   0.8171  213.225   59.629  170.838   65.834 42.38669 88.82433 
1 1 1    7   22   51 o  214.943   43.305   1.3751   0.4906   1.3712   0.6142   1.3818   0.8151  216.089   55.115  213.796   66.811 2.292526 86.61052 
1 1 1    7   22   53 o  176.290   38.397   0.9626   0.4118   1.2466   0.4992   0.3575   0.7286  207.064   47.854  145.515   60.062 61.54823 76.79490 
1 1 1    7   23    0 o  1306.42   49.251   44.350   3.2826   47.303   4.7614   41.675   4.5317  1348.26   69.104  1264.58   70.196 0.000000 0.000000 
1 1 1    7   23    2 o  2032.97   28.190  106.599   2.9450  104.943   4.2086  108.187   4.1225  2017.39   40.577  2048.54   39.142 -31.15527 56.37909 
1 1 1    7   23    4 o  622.367   28.210   9.9940   0.9011   9.8553   1.3089   10.119   1.2422  618.200   41.183  626.534   38.564 -8.334167 56.42070 
1 1 1    7   23    6 o  781.716   29.858   15.598   1.1932   14.242   1.5880   17.356   1.8083  743.141   41.562  820.290   42.879 -77.14844 59.71634 
1 1 1    7   23    8 o  1228.41   31.722   39.034   1.9970   37.426   2.9060   40.473   2.7489  1204.15   46.939  1252.66   42.684 -48.50244 63.44464 
1 1 1    7   23   10 o  1781.23   30.917   81.934   2.8281   79.627   4.0592   84.109   3.9425  1756.67   44.945  1805.80   42.465 -49.13440 61.83346 
1 1 1    7   23   12 o  1957.28   39.186   95.764   3.5793   91.497   4.2069  106.949   6.8118  1883.19   43.451  2031.37   65.223 -148.1844 78.37109 
1 1 1    7   23   14 o  1272.14   35.929   41.714   2.2447   42.178   3.7915   41.463   2.7852  1276.60   57.768  1267.67   42.735 8.928955 71.85699 
1 1 1    7   23   16 o  1635.42   29.502   69.260   2.4716   73.461   3.4265   64.704   3.5684  1687.62   39.492  1583.22   43.839 104.3967 59.00403 
1 1 1    7   23   18 o  872.683   29.207   19.691   1.3071   20.245   1.8012   19.075   1.8996  885.817   39.551  859.549   42.987 26.26874 58.41310 
1 1 1    7   23   20 f  1007.57   40.606   26.504   2.0766   21.575   2.9239   31.521   2.9499  911.600   62.387  1103.54   51.993 -191.9405 81.21205 
1 1 1    7   23   22 o  1123.60   28.791   32.607   1.6617   32.517   2.3010   32.705   2.4023  1122.09   39.886  1125.11   41.530 -3.018799 57.58155 
1 1 1    7   23   24 o  476.828   29.663   5.8503   0.7224   4.9693   0.9878   6.8631   1.0591  438.298   43.837  515.357   39.974 -77.05975 59.32576 
1 1 1    7   23   26 o  666.744   36.772   11.619   1.1605   11.722   1.3959   11.388   2.0880  673.015   40.342  660.472   61.491 12.54303 73.54330 
1 1 1    7   23   28 o  481.383   29.761   6.0112   0.7355   6.0136   1.0128   6.0087   1.0697  481.601   40.905  481.165   43.241 0.4363708 59.52260 
1 1 1    7   23   30 o  1126.05   29.030   32.926   1.6802   31.925   2.3528   33.968   2.4003  1108.52   41.282  1143.57   40.825 -35.04443 58.05945 
1 1 1    7   23   32 o  597.936   29.639   9.3080   0.9109   9.0331   1.2730   9.5964   1.3040  588.870   42.047  607.001   41.785 -18.13123 59.27835 
1 1 1    7   23   34 o  610.168   41.464   9.8713   1.3007   9.9282   1.8380   9.8141   1.8410  612.002   58.413  608.334   58.864 3.667664 82.92822 
1 1 1    7   23   36 o  410.928   31.184   4.4273   0.6583   4.2078   0.9124   4.6656   0.9507  400.276   44.338  421.581   43.862 -21.30496 62.36758 
1 1 1    7   23   38 o  741.232   43.145   14.810   1.6421   13.846   2.2968   15.818   2.3488  715.764   62.413  766.699   59.586 -50.93530 86.28926 
1 1 1    7   23   40 o  778.729   30.088   16.029   1.2039   15.382   1.6989   16.682   1.7063  762.534   43.335  794.924   41.751 -32.39001 60.17590 
1 1 1    7   23   42 o  455.960   31.494   5.5881   0.7283   6.4957   1.0186   4.6388   1.0417  495.741   39.964  416.179   48.686 79.56195 62.98761 
1 1 1    7   23   44 o  277.502   34.806   2.1324   0.4777   1.6496   0.6765   2.6125   0.6746  241.617   55.613  313.388   41.868 -71.77095 69.61157 
1 1 1    7   23   46 o  225.404   39.225   1.3706   0.4433   1.0879   0.5578   1.8548   0.7301  196.003   53.748  254.805   57.144 -58.80188 78.44945 
1 1 1    7   23   48 o  221.155   42.673   1.4480   0.5792   2.3136   0.7718   0.3322   0.8763  284.794   54.702  157.517   65.511 127.2775 85.34620 
1 1 1    7   23   50 f  357.044   39.400   3.3429   0.6830   2.8477   0.8191   4.4730   1.2374  320.185   49.760  393.902   61.102 -73.71652 78.80000 
1 1 1    7   23   52 o  406.635   40.248   4.5292   0.8007   3.9778   0.9713   5.6985   1.4145  375.137   50.363  438.134   62.796 -62.99789 80.49682 
1 1 1    7   24    1 o  955.833   32.325   24.045   1.5453   26.021   2.0188   21.250   2.4014  1004.69   39.083  906.974   51.499 97.71735 64.65022 
1 1 1    7   24    3 o  1408.21   28.347   51.227   2.0482   48.946   2.9467   53.359   2.8489  1377.67   41.603  1438.76   38.515 -61.08923 56.69352 
1 1 1    7   24    5 o  698.830   28.163   12.586   1.0101   12.671   1.4746   12.511   1.3866  700.986   40.915  696.674   38.712 4.311523 56.32615 
1 1 1    7   24    7 o  2055.49   32.427  109.024   3.4203  109.292   4.9964  108.788   4.6919  2057.62   47.231  2053.37   44.444 4.254395 64.85397 
1 1 1    7   24    9 o  553.629   39.533   7.6463   1.0383   8.6521   1.9252   7.2338   1.2329  577.828   64.804  529.430   45.296 48.39789 79.06501 
1 1 1    7   24   11 o  911.642   44.716   23.006   1.8272   24.881   2.1686   18.416   3.3927  982.020   42.953  841.264   78.442 140.7564 89.43197 
1 1 1    7   24   13 o  710.826   36.596   12.868   1.2788   13.716   2.1817   12.425   1.5784  727.854   58.301  693.797   44.249 34.05737 73.19149 
1 1 1    7   24   15 o  328.624   31.673   2.7915   0.5344   2.6417   0.7585   2.9392   0.7531  319.817   46.132  337.432   43.412 -17.61496 63.34618 
1 1 1    7   24   17 o  2249.14   36.388  132.064   3.9885  127.042   6.7594  134.746   4.9403  2213.67   59.392  2284.61   42.060 -70.94385 72.77666 
1 1 1    7   24   19 o  1810.25   40.166   85.002   3.7350   83.254   5.3594   86.652   5.2080  1791.78   58.179  1828.72   55.393 -36.94141 80.33135 
1 1 1    7   24   21 o  671.469   29.459   11.613   1.0148   10.619   1.3951   12.729   1.4788  641.011   42.334  701.926   40.977 -60.91498 58.91721 
1 1 1    7   24   23 o  1027.25   28.988   27.300   1.5289   27.787   2.1199   26.773   2.2071  1036.96   39.764  1017.54   42.190 19.42645 57.97562 
1 1 1    7   24   25 o  892.501   36.750   20.560   1.5444   20.344   1.8412   21.072   2.8363  886.606   40.393  898.396   61.407 -11.78973 73.50093 
1 1 1    7   24   27 o  763.890   34.604   14.775   1.3050   16.636   2.2281   13.804   1.6101  798.440   54.278  729.340   42.939 69.09979 69.20884 
1 1 1    7   24   29 o  522.618   29.606   7.0925   0.7950   6.7600   1.1095   7.4433   1.1397  509.978   42.317  535.258   41.416 -25.28009 59.21157 
1 1 1    7   24   31 o  1079.66   29.401   30.337   1.6312   29.059   2.2826   31.671   2.3319  1056.27   42.033  1103.04   41.120 -46.77014 58.80188 
1 1 1    7   24   33 o  1325.28   41.314   46.534   2.8149   46.495   3.9662   46.573   3.9956  1324.85   58.229  1325.71   58.623 -0.8543701 82.62720 
1 1 1    7   24   35 f  286.962   34.832   2.2615   0.4815   1.2896   0.6642   3.3383   0.6991  216.338   58.368  357.586   38.029 -141.2478 69.66357 
1 1 1    7   24   37 o  293.709   42.590   2.4144   0.5741   2.4878   0.6799   2.2319   1.0718  307.454   43.012  279.963   73.522 27.49158 85.17965 
1 1 1    7   24   39 o  904.073   30.013   21.582   1.3897   19.194   1.9384   24.109   1.9935  851.543   44.275  956.603   40.533 -105.0600 60.02645 
1 1 1    7   24   41 o  287.781   34.259   2.2431   0.4941   1.9987   0.6867   2.5054   0.7115  268.730   51.581  306.832   45.101 -38.10153 68.51795 
1 1 1    7   24   43 o  225.521   34.972   1.3952   0.3957   1.0660   0.5320   1.8028   0.5919  195.111   52.065  255.932   46.704 -60.82043 69.94357 
1 1 1    7   24   45 o  489.648   44.229   6.7027   1.1124   6.3778   1.5704   7.0298   1.5759  476.773   64.065  502.524   60.997 -25.75043 88.45877 
1 1 1    7   24   47 o  156.053   39.195   0.4788   0.3491   0.3219   0.3987   0.9944   0.7226  123.067   46.328  189.039   63.235 -65.97270 78.38917 
1 1 1    7   24   49 o  165.037   36.847   0.7620   0.3515   0.8522   0.4919   0.6679   0.5026  173.067   51.479  157.007   52.733 16.06047 73.69477 
1 1 1    7   24   51 o  464.818   33.626   6.0127   0.7958   5.0014   1.0981   7.1309   1.1547  421.236   50.707  508.400   44.178 -87.16470 67.25260 
1 1 1    7   24   53 o  324.121   51.719   3.4519   0.8460   2.8798   1.1892   4.0381   1.2037  290.895   77.941  357.348   68.003 -66.45343 103.4370 
1 1 1    7   25    0 o  2351.15   49.171  143.132   5.9255  143.373   8.1950  142.868   8.5778  2353.63   67.852  2348.67   71.185 -0.000000 0.000000 
1 1 1    7   25    2 o  702.666   28.799   12.727   1.0402   13.066   1.4866   12.403   1.4559  711.822   40.622  693.510   40.834 18.31262 57.59809 
1 1 1    7   25    4 o  1446.44   28.295   54.066   2.0992   51.599   3.0288   56.347   2.9120  1414.43   41.651  1478.46   38.310 -64.02771 56.59035 
1 1 1    7   25    6 o  710.834   30.779   13.116   1.1118   13.622   1.4815   12.464   1.6822  726.844   39.646  694.824   47.091 32.01990 61.55783 
1 1 1    7   25    8 o  975.403   32.525   24.549   1.6276   24.729   2.3843   24.392   2.2273  978.630   47.389  972.176   44.562 6.454163 65.05021 
1 1 1    7   25   10 o  726.403   41.600   13.149   1.4341   12.394   1.7025   14.993   2.6610  692.736   47.803  760.071   68.095 -67.33514 83.19922 
1 1 1    7   25   12 o  3190.33   36.994  262.611   5.7457  265.022   9.8811  261.379   7.0624  3198.36   60.091  3182.29   43.166 16.07007 73.98779 
1 1 1    7   25   14 o  1827.73   30.231   86.287   2.8390   88.854   3.9904   83.655   4.0400  1855.45   41.831  1800.02   43.655 55.42163 60.46137 
1 1 1    7   25   16 o  1186.91   37.899   37.185   2.1596   34.411   3.7291   38.585   2.6490  1151.35   62.998  1222.46   42.148 -71.10986 75.79705 
1 1 1    7   25   18 o  1458.07   40.684   55.205   3.0427   53.983   4.4281   56.299   4.1880  1442.27   59.718  1473.87   55.268 -31.60571 81.36794 
1 1 1    7   25   20 o  1252.22   29.402   40.558   1.8895   41.227   2.6085   39.820   2.7408  1263.31   40.162  1241.13   42.953 22.17932 58.80396 
1 1 1    7   25   22 o  1262.20   29.139   41.126   1.8892   39.704   2.6047   42.705   2.7442  1239.26   40.882  1285.13   41.534 -45.87061 58.27842 
1 1 1    7   25   24 o  918.708   29.214   21.815   1.3774   20.061   1.9085   23.721   1.9900  880.095   42.179  957.321   40.431 -77.22589 58.42716 
1 1 1    7   25   26 o  1117.20   35.132   32.152   1.9335   33.691   3.2693   31.324   2.3977  1135.64   55.995  1098.76   42.445 36.88232 70.26378 
1 1 1    7   25   28 o  1169.34   29.199   35.567   1.7530   36.751   2.4448   34.314   2.5150  1189.79   39.967  1148.90   42.578 40.89502 58.39744 
1 1 1    7   25   30 o  129.008   29.705   0.3630   0.2432   0.1069   0.3303   0.6665   0.3595  100.569   40.849  157.447   43.139 -56.87833 59.41036 
1 1 1    7   25   32 o  1027.95   36.861   28.369   1.8288   26.120   3.1136   29.553   2.2597  991.712   61.068  1064.18   41.301 -72.47076 73.72274 
1 1 1    7   25   34 o  969.550   29.672   24.610   1.4789   24.187   2.0697   25.051   2.1138  961.082   41.887  978.019   42.039 -16.93707 59.34483 
1 1 1    7   25   36 o  629.311   40.749   11.335   1.1795   12.602   1.4392   8.7436   2.0582  693.049   40.393  565.573   70.783 127.4759 81.49704 
1 1 1    7   25   38 o  824.873   30.085   17.990   1.2736   18.964   1.7871   16.984   1.8155  848.400   40.970  801.347   44.067 47.05237 60.17030 
1 1 1    7   25   40 o  757.119   30.995   15.314   1.1951   17.558   1.6832   13.033   1.6970  815.341   40.154  698.896   47.228 116.4448 61.99069 
1 1 1    7   25   42 o  403.909   31.752   4.3507   0.6545   3.6920   0.9064   5.0686   0.9462  371.094   47.507  436.725   42.142 -65.63202 63.50460 
1 1 1    7   25   44 o  206.885   43.212   1.1378   0.5184   1.8052   0.7779   0.6046   0.6954  250.472   60.981  163.299   61.241 87.17213 86.42445 
1 1 1    7   25   46 o  152.308   34.036   0.6215   0.3067   0.8122   0.4288   0.4216   0.4389  170.252   47.297  134.364   48.958 35.88872 68.07278 
1 1 1    7   25   48 o  209.143   36.318   1.2592   0.3879   1.3227   0.5417   1.1924   0.5558  215.026   49.952  203.260   52.734 11.76572 72.63660 
1 1 1    7   25   50 o  224.309   36.965   1.4758   0.4238   1.8435   0.6018   1.1143   0.5967  254.263   47.794  194.355   56.404 59.90810 73.93037 
1 1 1    7   25   52 o  203.895   33.468   1.1102   0.3968   0.3191   0.5276   2.1402   0.6020  129.833   52.016  277.957   42.129 -148.1240 66.93694 
1 1 1    7   26    1 o  794.489   31.866   16.161   1.2806   15.597   1.6555   17.002   2.0209  777.614   41.408  811.364   48.446 -33.75043 63.73103 
1 1 1    7   26    3 o  820.920   28.641   17.382   1.2080   17.343   1.7400   17.418   1.6784  819.982   41.274  821.858   39.722 -1.875610 57.28295 
1 1 1    7   26    5 o  2232.80   28.024  128.434   3.2145  131.783   4.6575  125.388   4.4423  2260.49   40.076  2205.11   39.184 55.37451 56.04825 
1 1 1    7   26    7 o  2219.04   41.334  126.669   3.9743  125.970   4.5275  129.016   8.2972  2210.01   39.847  2228.08   72.432 -18.07007 82.66898 
1 1 1    7   26    9 o  1621.85   48.476   68.591   4.0061   70.693   5.3702   65.953   6.0155  1651.20   63.258  1592.50   73.472 58.70056 96.95216 
1 1 1    7   26   11 o  1187.28   37.279   35.866   2.1600   38.347   3.7457   34.630   2.6440  1216.47   59.891  1158.10   44.406 58.36877 74.55747 
1 1 1    7   26   13 o  1299.38   30.927   43.600   2.0650   45.488   2.9378   41.755   2.9033  1327.29   43.052  1271.48   44.413 55.81299 61.85462 
1 1 1    7   26   15 o  1229.10   37.816   39.062   2.2461   39.278   3.9161   38.957   2.7420  1230.11   61.921  1228.09   43.428 2.018188 75.63168 
1 1 1    7   26   17 o  1149.66   34.491   33.980   1.9606   33.403   2.4470   35.014   3.2764  1137.13   41.855  1162.19   54.834 -25.06152 68.98279 
1 1 1    7   26   19 f  1179.37   29.722   36.029   1.7979   37.536   2.4940   34.400   2.5942  1205.36   40.244  1153.38   43.748 51.97754 59.44339 
1 1 1    7   26   21 o  1699.48   29.462   74.796   2.5696   76.559   3.5560   72.869   3.7174  1720.83   40.193  1678.13   43.087 42.69849 58.92367 
1 1 1    7   26   23 o  471.306   30.887   5.7984   0.7415   6.6338   1.0422   4.9421   1.0553  506.238   40.044  436.375   47.036 69.86371 61.77301 
1 1 1    7   26   25 o  418.916   46.048   4.5728   0.9595   3.7843   1.2628   5.6495   1.4757  373.682   68.245  464.151   61.840 -90.46829 92.09541 
1 1 1    7   26   27 o  396.901   31.923   4.1646   0.6375   5.0908   0.8962   3.2159   0.9070  442.872   39.359  350.931   50.272 91.94162 63.84649 
1 1 1    7   26   29 o  1118.46   29.477   32.586   1.6938   32.997   2.3613   32.150   2.4310  1126.04   40.789  1110.89   42.565 15.14697 58.95317 
1 1 1    7   26   31 o  1359.45   36.043   48.253   2.3949   49.726   4.0991   47.489   2.9509  1370.47   58.177  1348.43   42.566 22.04590 72.08606 
1 1 1    7   26   33 f  278.468   41.458   2.2010   0.5688   2.5104   0.7258   1.7085   0.9156  309.129   45.668  247.807   69.206 61.32147 82.91602 
1 1 1    7   26   35 f  833.423   30.187   18.281   1.2920   19.036   1.8130   17.502   1.8416  851.468   41.414  815.378   43.931 36.08972 60.37481 
1 1 1    7   26   37 o  351.254   35.988   3.1274   0.6333   4.1604   1.0437   2.5254   0.7968  394.733   51.430  307.774   50.353 86.95901 71.97559 
1 1 1    7   26   39 o  714.384   30.166   13.512   1.1076   13.195   1.5441   13.847   1.5897  705.825   42.550  722.944   42.771 -17.11847 60.33183 
1 1 1    7   26   41 f  695.319   30.952   12.862   1.1059   12.303   1.5397   13.458   1.5893  679.553   44.069  711.086   43.474 -31.53369 61.90340 
1 1 1    7   26   43 o  213.068   38.943   1.0995   0.4401   2.0948   0.7509   0.5787   0.5431  272.481   55.487  153.654   54.658 118.8275 77.88675 
1 1 1    7   26   45 o  110.185   30.343   0.2007   0.2504   0.3233   0.3648   0.0915   0.3443  120.723   44.537   99.646   41.222 21.07691 60.68592 
1 1 1    7   26   47 o  286.085   51.027   2.4275   0.7655   1.6731   1.0137   3.4287   1.1678  234.429   74.668  337.741   69.568 -103.3122 102.0537 
1 1 1    7   26   49 o  151.551   33.706   0.6015   0.3180   0.9663   0.4494   0.2355   0.4502  183.472   47.328  119.631   48.006 63.84135 67.41259 
1 1 1    7   26   51 o  465.741   33.462   6.1121   0.7989   6.5079   1.1191   5.7008   1.1408  483.012   45.065  448.470   49.477 34.54202 66.92402 
1 1 1    7   27    0 o  357.257   66.933   3.9187   1.0595   3.8958   1.4408   3.9458   1.5633  358.720   90.329  355.794   98.796 -0.000000 0.000000 
1 1 1    7   27    2 o  514.711   42.021   7.3147   0.9652   7.8685   1.1408   5.9197   1.8107  552.307   40.176  477.116   73.817 75.19000 84.04189 
1 1 1    7   27    4 o  2316.10   31.200  138.185   3.6818  136.358   4.8751  140.611   5.6169  2298.93   41.247  2333.28   46.823 -34.34717 62.39965 
1 1 1    7   27    6 o  855.958   41.322   18.286   1.5564   17.677   1.7738   20.325   3.2442  827.668   41.686  884.249   71.361 -56.58093 82.64458 
1 1 1    7   27    8 o  1065.76   50.518   29.971   2.7239   33.031   3.6724   26.227   4.0612  1128.45   63.298  1003.07   78.750 125.3863 101.0362 
1 1 1    7   27   10 f  1055.15   32.154   28.650   1.7399   31.640   2.5428   26.019   2.3859  1106.80   44.687  1003.51   46.245 103.2836 64.30816 
1 1 1    7   27   12 o  1675.95   39.377   71.538   3.1360   75.977   5.7169   69.627   3.7508  1710.18   65.020  1641.73   44.437 68.44812 78.75476 
1 1 1    7   27   14 o  526.633   44.097   7.2546   1.1698   6.9288   1.8253   7.4817   1.5239  515.942   68.811  537.323   55.165 -21.38129 88.19366 
1 1 1    7   27   16 o  712.058   34.676   12.727   1.2373   11.472   1.5549   14.894   2.0430  666.003   45.411  758.114   52.417 -92.11151 69.35199 
1 1 1    7   27   18 o  888.765   30.254   20.388   1.3788   18.411   1.9100   22.540   1.9926  843.689   44.032  933.841   41.502 -90.15167 60.50827 
1 1 1    7   27   20 o  2425.93   29.645  152.197   3.6946  150.267   5.1127  154.305   5.3450  2410.09   41.261  2441.76   42.577 -31.66992 59.28986 
1 1 1    7   27   22 o  969.036   30.034   24.439   1.4896   26.436   2.0759   22.319   2.1389  1010.48   39.959  927.594   44.849 82.88458 60.06792 
1 1 1    7   27   24 o  803.078   44.492   17.161   1.8056   18.556   2.4100   15.376   2.7263  842.628   55.630  763.529   69.450 79.09900 88.98330 
1 1 1    7   27   26 o  174.539   36.379   0.7872   0.3575   0.5336   0.4916   1.0718   0.5208  150.272   52.113  198.807   50.774 -48.53499 72.75802 
1 1 1    7   27   28 o  1555.13   29.396   62.963   2.3491   62.656   3.2658   63.291   3.3814  1551.51   40.942  1558.76   42.194 -7.250366 58.79284 
1 1 1    7   27   30 o  238.070   39.288   1.7252   0.5195   0.4626   0.8574   2.4574   0.6529  169.275   66.795  306.864   41.386 -137.5886 78.57670 
1 1 1    7   27   32 o  415.485   42.501   5.0407   0.7938   5.8204   0.9882   3.6223   1.3327  471.750   40.744  359.220   74.602 112.5297 85.00285 
1 1 1    7   27   34 o  226.168   37.338   1.4121   0.4263   1.4515   0.6017   1.3723   0.6041  229.467   52.182  222.868   53.419 6.599411 74.67651 
1 1 1    7   27   36 o  222.915   45.277   1.4606   0.5863   1.9396   0.7320   0.6037   0.9791  264.320   55.628  181.509   71.454 82.81133 90.55488 
1 1 1    7   27   38 o  625.905   30.804   10.375   0.9907   9.9557   1.3752   10.828   1.4283  612.727   43.654  639.083   43.472 -26.35626 61.60712 
1 1 1    7   27   40 o  272.797   35.261   2.0371   0.4758   1.4208   0.6519   2.7401   0.6962  224.342   56.538  321.252   42.152 -96.90971 70.52183 
1 1 1    7   27   42 o  363.190   46.953   4.1880   0.7929   2.3853   1.2794   5.3121   1.0103  280.729   82.910  445.651   44.095 -164.9221 93.90676 
1 1 1    7   27   44 o  273.733   35.842   2.1683   0.4794   2.8285   0.6580   1.4212   0.6999  325.698   39.296  221.769   59.955 103.9283 71.68485 
1 1 1    7   27   46 o  293.799   52.655   2.6594   0.8289   3.6481   1.1875   1.7198   1.1576  349.980   68.447  237.619   80.034 112.3607 105.3106 
1 1 1    7   27   48 o  271.925   36.357   2.2454   0.4849   3.1876   0.6658   1.1812   0.7076  344.028   37.641  199.822   62.214 144.2059 72.71433 
1 1 1    7   27   50 o  200.615   39.749   1.2049   0.4263   1.1657   0.5952   1.2461   0.6108  197.420   56.037  203.810   56.390 -6.389847 79.49814 
1 1 1    7   28    1 o  746.797   51.834   14.506   1.9895   13.990   2.7873   15.042   2.8406  733.184   73.945  760.410   72.659 -27.22620 103.6688 
1 1 1    7   28    3 o  2124.67   33.131  117.613   3.5169  121.047   4.5104  112.286   5.6172  2165.92   40.504  2083.42   52.442 82.49658 66.26230 
1 1 1    7   28    5 o  347.772   50.176   3.1748   0.8274   3.5090   1.4374   3.0092   1.0119  359.923   79.772  335.620   60.884 24.30399 100.3516 
1 1 1    7   28    7 o  802.554   42.911   17.362   1.6129   15.042   2.8560   18.448   1.9543  760.041   73.089  845.067   44.982 -85.02533 85.82218 
1 1 1    7   28    9 o  718.618   43.798   13.725   1.4411   12.678   2.6985   14.143   1.7045  697.347   75.267  739.888   44.809 -42.54095 87.59552 
1 1 1    7   28   11 o  2246.17   44.806  132.544   5.0362  124.077   7.9593  138.198   6.5037  2182.71   70.926  2309.61   54.771 -126.9001 89.61288 
1 1 1    7   28   13 o  2033.88   35.626  106.346   3.6505  103.438   4.6855  110.838   5.8232  2000.07   45.566  2067.69   54.778 -67.61316 71.25207 
1 1 1    7   28   15 o  2001.49   30.841  103.593   3.1731  105.347   4.4792  101.827   4.4958  2018.62   43.160  1984.37   44.067 34.24792 61.68232 
1 1 1    7   28   17 o  1789.77   30.479   82.899   2.8030   84.531   3.9232   81.196   4.0061  1808.00   42.205  1771.53   43.985 36.47437 60.95863 
1 1 1    7   28   19 o  1293.72   30.234   43.370   2.0088   44.218   2.7944   42.464   2.8899  1307.07   41.583  1280.38   43.902 26.69080 60.46894 
1 1 1    7   28   21 o  1113.16   30.145   32.131   1.7237   32.243   2.3903   32.009   2.4879  1115.39   41.683  1110.93   43.559 4.455078 60.28948 
1 1 1    7   28   23 o  1008.45   44.127   26.686   2.2621   26.560   2.9823   26.858   3.4713  1007.22   57.592  1009.67   66.871 -2.451782 88.25320 
1 1 1    7   28   25 o  937.521   30.043   22.945   1.4425   24.443   2.0016   21.326   2.0805  970.074   40.134  904.969   44.716 65.10522 60.08569 
1 1 1    7   28   27 o  219.969   36.270   1.3200   0.4029   1.4011   0.5636   1.2354   0.5761  227.083   49.658  212.856   52.879 14.22633 72.54040 
1 1 1    7   28   29 o  329.988   43.841   3.0821   0.6750   2.5633   1.1648   3.3444   0.8283  302.505   75.212  357.470   45.071 -54.96469 87.68195 
1 1 1    7   28   31 o  101.970   29.610   0.0865   0.2509   0.1673   0.3489   0.0000   0.3611  107.363   42.532   96.576   41.206 10.78680 59.21951 
1 1 1    7   28   33 f  777.979   30.476   15.937   1.2172   16.635   1.7044   15.210   1.7389  795.973   41.650  759.985   44.503 35.98792 60.95266 
1 1 1    7   28   35 o  564.863   46.038   8.7490   1.3282   9.4029   1.8302   8.0215   1.9305  589.555   60.380  540.170   69.514 49.38483 92.07625 
1 1 1    7   28   37 o  208.049   34.087   1.2023   0.3749   1.6274   0.5204   0.7433   0.5407  248.241   40.772  167.858   54.639 80.38338 68.17466 
1 1 1    7   28   39 o  367.407   32.552   3.6017   0.6146   3.4838   0.8552   3.7277   0.8839  361.185   46.056  373.629   46.015 -12.44449 65.10402 
1 1 1    7   28   41 o  533.656   31.422   7.6132   0.8618   7.3245   1.2045   7.9161   1.2335  523.132   44.784  544.179   44.087 -21.04785 62.84354 
1 1 1    7   28   43 o  415.395   36.597   4.3298   0.7488   3.2824   0.9181   6.4113   1.2942  346.622   51.517  484.168   51.993 -137.5464 73.19342 
1 1 1    7   28   45 o  676.572   44.525   13.787   1.3666   15.031   1.6515   11.084   2.4340  745.710   43.077  607.434   77.938 138.2763 89.05024 
1 1 1    7   28   47 o  500.469   33.478   6.9693   0.8481   8.2362   1.1953   5.6846   1.2036  550.176   42.256  450.762   51.937 99.41458 66.95606 
1 1 1    7   28   49 o  144.436   34.201   0.5495   0.3075   0.3489   0.4272   0.7651   0.4430  125.659   47.803  163.213   48.925 -37.55373 68.40101 
1 1 1    7   29    0 o  114.828   69.992   0.2992   0.7786   0.0000   0.0000   0.2992   0.7786  114.828   69.992  114.828   69.992 -0.000000 0.000000 
1 1 1    7   29    2 o  1557.05   51.014   63.192   4.0792   65.278   5.7040   61.009   5.8361  1583.95   70.043  1530.16   74.185 53.79004 102.0272 
1 1 1    7   29    4 o  1369.57   40.079   48.412   2.8221   0.0000   0.0000   48.412   2.8221  ?   ?   1369.57   40.079      ?      ? 
1 1 1    7   29    6 o  2175.90   44.142  124.675   4.4479  118.802   8.2465  127.084   5.2821  2134.42   75.149  2217.37   46.334 -82.94751 88.28494 
1 1 1    7   29    8 o  1952.60   38.688   98.817   3.8487   99.024   5.1147   98.547   5.8437  1956.00   50.860  1949.20   58.312 6.794556 77.37627 
1 1 1    7   29   10 o  1348.80   45.734   47.690   3.0863   45.625   4.9110   49.038   3.9677  1322.54   72.225  1375.07   56.124 -52.52954 91.46789 
1 1 1    7   29   12 o  877.904   36.979   20.190   1.6309   21.089   2.1217   18.891   2.5497  902.913   45.705  852.895   58.146 50.01831 73.95856 
1 1 1    7   29   14 o  432.637   32.933   4.8783   0.7269   4.2690   1.0418   5.4564   1.0148  405.906   49.922  459.368   42.967 -53.46173 65.86612 
1 1 1    7   29   16 o  724.326   31.305   13.579   1.1656   13.377   1.6322   13.790   1.6651  718.823   44.167  729.828   44.377 -11.00427 62.61032 
1 1 1    7   29   18 o  445.162   32.114   5.1384   0.7231   3.9865   0.9937   6.4346   1.0541  391.790   49.335  498.533   41.127 -106.7436 64.22854 
1 1 1    7   29   20 o  1340.36   30.449   46.559   2.0972   44.911   2.9116   48.335   3.0234  1315.74   43.042  1364.97   43.082 -49.22839 60.89883 
1 1 1    7   29   22 o  522.380   45.632   7.0989   1.2149   6.5800   1.5957   7.8143   1.8737  500.410   62.024  544.350   66.949 -43.94046 91.26468 
1 1 1    7   29   24 o  150.130   34.591   0.5425   0.3154   0.7795   0.4586   0.3297   0.4346  170.897   49.401  129.363   48.432 41.53355 69.18174 
1 1 1    7   29   26 o  793.503   30.532   16.488   1.2402   17.766   1.7261   15.124   1.7829  826.061   40.644  760.945   45.573 65.11603 61.06437 
1 1 1    7   29   28 o  262.720   43.278   2.1404   0.5823   0.9458   1.0423   2.6826   0.7022  205.020   75.335  320.419   42.623 -115.3989 86.55657 
1 1 1    7   29   30 o  749.770   35.670   14.547   1.3074   13.923   1.6017   15.792   2.2630  728.942   42.738  770.598   57.120 -41.65625 71.33907 
1 1 1    7   29   32 o  733.259   30.539   14.169   1.1488   14.852   1.6016   13.444   1.6487  752.177   41.416  714.341   44.891 37.83569 61.07781 
1 1 1    7   29   34 f  349.497   47.976   4.2543   0.8096   5.7831   0.9951   1.2612   1.3924  468.613   41.304  230.380   86.607 238.2336 95.95249 
1 1 1    7   29   36 o  582.562   31.250   9.0031   0.9358   9.0425   1.3140   8.9626   1.3331  584.030   43.763  581.095   44.621 2.934570 62.49982 
1 1 1    7   29   38 o  263.377   35.692   1.9190   0.4654   1.8889   0.6441   1.9518   0.6731  261.413   49.745  265.341   51.196 -3.928009 71.38377 
1 1 1    7   29   40 o  798.357   31.181   16.999   1.2768   15.453   1.7687   18.683   1.8451  759.671   45.285  837.044   42.876 -77.37286 62.36216 
1 1 1    7   29   42 o  686.086   37.607   12.758   1.2648   12.437   1.5632   13.367   2.1524  679.922   44.719  692.250   60.477 -12.32867 75.21471 
1 1 1    7   29   44 o  195.698   35.907   1.0881   0.3759   1.4554   0.5354   0.7312   0.5278  227.438   47.332  163.958   54.009 63.48094 71.81436 
1 1 1    7   29   46 o  271.454   40.201   1.9452   0.5435   3.0383   0.9190   1.3573   0.6739  328.595   54.399  214.314   59.204 114.2808 80.40130 
1 1 1    7   29   48 o  529.030   33.121   7.7815   0.9000   7.3315   1.2474   8.2701   1.2997  512.681   47.324  545.379   46.352 -32.69830 66.24298 
1 1 1    7   29   50 f  175.636   36.477   0.8673   0.3629   0.5414   0.4816   1.2957   0.5521  142.949   51.400  208.322   51.771 -65.37253 72.95347 
1 1 1    7   30    1 o  1025.69   49.005   27.371   2.5828   28.680   3.7037   26.132   3.6036  1049.67   68.630  1001.71   69.972 47.95911 98.01058 
1 1 1    7   30    3 o  1296.94   41.377   43.585   2.6861   43.398   3.4252   43.884   4.3290  1294.68   51.457  1299.20   64.809 -4.525269 82.75317 
1 1 1    7   30    5 o  1142.18   40.597   33.652   2.3539   32.679   3.0737   35.031   3.6604  1123.07   53.234  1161.29   61.308 -38.21997 81.19424 
1 1 1    7   30    7 o  1681.33   35.866   72.320   2.9096   70.676   3.5298   75.803   5.1392  1653.97   41.511  1708.69   58.501 -54.72131 71.73242 
1 1 1    7   30    9 f  1745.19   37.649   78.833   3.3267   78.196   4.3353   79.745   5.1879  1737.90   48.521  1752.47   57.580 -14.57703 75.29762 
1 1 1    7   30   11 o  251.455   39.447   1.6913   0.4960   1.9215   0.7351   1.4988   0.6720  267.283   55.317  235.627   56.253 31.65646 78.89463 
1 1 1    7   30   13 o  871.954   32.260   19.732   1.4427   18.634   2.0720   20.765   2.0101  848.093   47.519  895.815   43.644 -47.72272 64.52064 
1 1 1    7   30   15 o  1009.44   31.832   26.402   1.6517   26.518   2.3606   26.291   2.3119  1011.55   45.391  1007.34   44.640 4.215881 63.66388 
1 1 1    7   30   17 o  496.773   32.076   6.4074   0.8178   5.9409   1.1511   6.8827   1.1621  478.359   46.805  515.188   43.873 -36.82886 64.15231 
1 1 1    7   30   19 o  1510.56   30.670   59.222   2.3809   58.764   3.3158   59.708   3.4210  1504.71   42.861  1516.41   43.880 -11.69299 61.33931 
1 1 1    7   30   21 o  415.487   48.469   4.4016   0.9894   3.4552   1.2534   5.9660   1.6116  355.399   71.082  475.574   65.911 -120.1748 96.93762 
1 1 1    7   30   23 o  403.387   32.485   4.2750   0.6672   4.8991   0.9374   3.6340   0.9499  433.925   42.018  372.849   49.552 61.07611 64.96900 
1 1 1    7   30   25 o  406.978   31.705   4.3006   0.6605   3.7775   0.9002   4.9107   0.9721  380.146   46.057  433.810   43.585 -53.66364 63.41050 
1 1 1    7   30   27 o  409.008   39.520   4.2810   0.7894   4.8850   1.3829   3.9890   0.9614  428.204   62.815  389.811   47.973 38.39325 79.03927 
1 1 1    7   30   29 o  373.082   40.605   3.9091   0.7044   4.2571   0.8780   3.2807   1.1799  403.086   42.369  343.078   69.281 60.00772 81.20977 
1 1 1    7   30   31 o  497.673   32.122   6.5702   0.8077   5.1337   1.1272   8.0864   1.1580  440.140   49.813  555.205   40.569 -115.0649 64.24326 
1 1 1    7   30   33 o  554.253   38.952   7.7057   1.0412   6.7986   1.2431   9.8380   1.9059  506.039   47.781  602.468   61.531 -96.42892 77.90462 
1 1 1    7   30   35 f  678.054   36.663   11.833   1.2313   14.245   2.1048   10.578   1.5182  725.812   56.405  630.295   46.852 95.51666 73.32509 
1 1 1    7   30   37 o  936.154   30.829   23.275   1.4828   22.147   2.0582   24.492   2.1379  912.402   43.877  959.906   43.320 -47.50354 61.65881 
1 1 1    7   30   39 o  668.813   31.522   11.979   1.0819   12.535   1.5121   11.395   1.5487  685.696   42.891  651.930   46.206 33.76599 63.04486 
1 1 1    7   30   41 o  466.937   36.710   5.2619   0.8279   3.6703   0.9980   8.7746   1.4826  366.221   53.006  567.653   50.801 -201.4317 73.41962 
1 1 1    7   30   43 o  481.958   33.194   6.3563   0.8172   6.9360   1.1357   5.7338   1.1769  506.717   43.594  457.198   50.069 49.51901 66.38766 
1 1 1    7   30   45 o  392.709   52.604   4.6925   1.0323   3.6789   1.4215   5.8238   1.5017  338.431   82.454  446.987   65.344 -108.5558 105.2074 
1 1 1    7   30   47 o  184.308   37.214   0.9841   0.3909   1.3788   0.5485   0.5767   0.5572  217.957   50.009  150.659   55.123 67.29819 74.42780 
1 1 1    7   30   49 f  195.384   37.523   1.1283   0.3931   0.8532   0.5382   1.4427   0.5753  170.357   54.424  220.411   51.671 -50.05400 75.04523 
1 1 1    7   31    0 o  1864.83   50.364   90.276   4.8061   96.970   6.9633   84.187   6.6418  1931.26   70.342  1798.40   72.098 0.000000 0.000000 
1 1 1    7   31    2 o  758.188   32.508   14.760   1.2498   14.230   1.6247   15.528   1.9558  741.983   42.591  774.393   49.124 -32.40991 65.01675 
1 1 1    7   31    4 o  865.337   32.054   19.306   1.4134   18.909   1.8690   19.837   2.1600  855.296   42.504  875.378   47.993 -20.08191 64.10899 
1 1 1    7   31    6 o  431.009   30.660   4.8447   0.6732   4.3876   0.9901   5.2377   0.9181  411.732   46.771  450.286   39.656 -38.55383 61.31961 
1 1 1    7   31    8 o  1107.34   28.437   31.667   1.6174   32.092   2.3466   31.282   2.2323  1114.32   40.959  1100.37   39.459 13.95068 56.87431 
1 1 1    7   31   10 o  1011.78   33.268   26.527   1.7274   26.368   2.5157   26.670   2.3761  1008.66   48.512  1014.90   45.538 -6.243835 66.53620 
1 1 1    7   31   12 o  1693.40   32.542   74.223   2.8306   76.498   4.1117   72.175   3.9025  1717.86   46.555  1668.93   45.481 48.92969 65.08398 
1 1 1    7   31   14 o  384.716   34.823   3.8882   0.6774   3.0967   0.9604   4.6719   0.9556  344.887   54.166  424.546   43.781 -79.65866 69.64684 
1 1 1    7   31   16 o  450.915   32.809   5.2755   0.7598   5.6352   1.0940   4.9404   1.0560  465.817   45.679  436.012   47.107 29.80478 65.61742 
1 1 1    7   31   18 o  1127.92   31.357   33.067   1.8181   33.374   2.5579   32.753   2.5848  1133.34   43.899  1122.51   44.789 10.83069 62.71472 
1 1 1    7   31   20 o  1124.55   47.788   34.221   2.6739   37.362   3.4827   29.712   4.1733  1193.51   56.757  1055.59   76.898 137.9165 95.57525 
1 1 1    7   31   22 o  613.759   31.368   9.8579   0.9858   10.591   1.3729   9.0772   1.4165  637.883   41.861  589.635   46.728 48.24805 62.73626 
1 1 1    7   31   24 o  361.890   32.570   3.4328   0.6046   3.6016   0.8420   3.2531   0.8686  371.351   44.103  352.429   47.939 18.92242 65.13953 
1 1 1    7   31   26 o  459.926   48.528   5.9231   1.0746   4.2880   1.5581   7.4064   1.4840  390.483   80.291  529.368   54.527 -138.8857 97.05614 
1 1 1    7   31   28 o  303.644   35.080   2.4729   0.5329   2.7464   0.7558   2.2025   0.7515  323.232   45.483  284.056   53.421 39.17630 70.16001 
1 1 1    7   31   30 o  277.765   36.894   2.1388   0.5071   1.5939   0.7351   2.6337   0.7006  239.122   59.916  316.407   43.066 -77.28496 73.78815 
1 1 1    7   31   32 o  497.168   31.844   6.5519   0.8124   6.8493   1.1334   6.2378   1.1650  509.329   43.283  485.007   46.720 24.32236 63.68829 
1 1 1    7   31   34 o  298.774   39.745   2.3194   0.5866   3.4061   0.9473   1.6437   0.7470  356.306   51.710  241.242   60.373 115.0640 79.49088 
1 1 1    7   31   36 o  804.180   31.449   17.236   1.2983   17.583   1.7997   16.860   1.8747  813.511   43.030  794.849   45.874 18.66193 62.89708 
1 1 1    7   31   38 o  198.263   36.861   1.0775   0.3891   0.7490   0.5267   1.4719   0.5772  167.052   53.889  229.473   50.307 -62.42111 73.72149 
1 1 1    7   31   40 o  481.970   45.910   6.5418   1.1373   6.7586   1.6265   6.3345   1.5908  490.012   64.562  473.927   65.289 16.08539 91.81963 
1 1 1    7   31   42 o  194.817   35.398   1.1181   0.3844   1.5873   0.5138   0.5213   0.5794  239.433   43.331  150.201   55.987 89.23190 70.79617 
1 1 1    7   31   44 o  289.777   52.606   2.6395   0.7945   2.9888   1.0866   2.2383   1.1647  313.989   69.181  265.565   79.268 48.42331 105.2115 
1 1 1    7   31   46 o  310.323   38.367   2.7987   0.5883   3.3958   0.8320   2.2015   0.8321  350.119   46.219  270.528   61.253 79.59073 76.73415 
1 1 1    7   31   48 o  452.729   34.697   5.8335   0.7936   4.6177   1.1045   7.1308   1.1409  399.488   53.776  505.970   43.860 -106.4817 69.39446 
1 1 1    7   32    1 o  366.351   39.869   3.5413   0.7243   2.8701   1.0041   4.2693   1.0457  326.849   62.019  405.853   50.116 -79.00409 79.73735 
1 1 1    7   32    3 o  1298.87   32.185   43.597   2.1236   43.211   2.7900   44.130   3.2741  1292.70   41.979  1305.03   48.798 -12.32605 64.36998 
1 1 1    7   32    5 o  1730.18   33.432   77.161   2.9038   75.781   3.7095   79.343   4.6663  1711.68   42.152  1748.68   51.903 -36.99414 66.86364 
1 1 1    7   32    7 o  321.167   31.653   2.6604   0.5206   3.0152   0.7607   2.3478   0.7140  341.301   43.353  301.033   46.132 40.26859 63.30576 
1 1 1    7   32    9 o  1412.04   30.937   51.736   2.2264   52.374   2.9701   50.918   3.3636  1422.72   40.606  1401.35   46.686 21.37915 61.87394 
1 1 1    7   32   11 o  716.136   33.645   13.263   1.2364   14.386   1.8104   12.281   1.6925  744.490   47.299  687.782   47.863 56.70868 67.29082 
1 1 1    7   32   13 o  1581.75   32.479   64.965   2.6392   64.994   3.8078   64.938   3.6612  1581.78   46.823  1581.73   45.022 0.5419922E-01 64.95708 
1 1 1    7   32   15 o  316.904   36.018   2.6655   0.5708   2.4066   0.8157   2.9140   0.7989  299.040   55.086  334.767   46.420 -35.72766 72.03652 
1 1 1    7   32   17 o  329.596   33.759   2.8358   0.5700   2.5530   0.8038   3.1218   0.8084  312.823   49.978  346.368   45.397 -33.54492 67.51810 
1 1 1    7   32   19 o  950.707   47.311   23.764   2.2624   23.156   2.8980   24.714   3.6203  937.885   60.101  963.529   73.082 -25.64471 94.62106 
1 1 1    7   32   21 o  1089.96   31.151   30.999   1.7443   31.426   2.4306   30.546   2.5048  1098.05   43.055  1081.87   45.033 16.18079 62.30299 
1 1 1    7   32   23 o  453.457   32.046   5.3747   0.7468   5.2558   1.0377   5.5026   1.0755  448.306   45.024  458.608   45.616 -10.30167 64.09296 
1 1 1    7   32   25 o  169.790   42.289   0.6962   0.4641   0.2645   0.8230   0.8975   0.5620  156.470   64.121  183.109   55.152 -26.63870 84.57755 
1 1 1    7   32   27 f  849.040   30.973   18.943   1.3504   19.280   1.8746   18.580   1.9468  857.399   42.527  840.681   45.042 16.71759 61.94612 
1 1 1    7   32   29 o  506.579   32.916   6.8328   0.8492   7.7248   1.1856   5.8929   1.2170  541.928   42.552  471.231   50.232 70.69775 65.83206 
1 1 1    7   32   31 o  1035.92   36.460   28.533   1.8540   28.235   2.3004   29.084   3.1318  1033.97   43.274  1037.86   58.692 -3.886475 72.92082 
1 1 1    7   32   33 o  265.519   42.177   2.0793   0.6929   3.6848   0.9224   0.0000   1.0497  371.554   48.285  159.483   69.168 212.0707 84.35434 
1 1 1    7   32   35 o  1159.73   31.099   35.809   1.8521   36.310   2.5695   35.267   2.6721  1169.27   42.742  1150.19   45.186 19.08008 62.19878 
1 1 1    7   32   37 o  829.608   31.686   18.363   1.3467   16.350   1.8614   20.573   1.9508  780.880   46.364  878.336   43.201 -97.45587 63.37150 
1 1 1    7   32   39 o  185.957   44.065   0.9150   0.5097   1.2362   0.7240   0.5994   0.7176  208.060   62.588  163.854   62.046 44.20625 88.13038 
1 1 1    7   32   41 o  339.013   34.314   3.1517   0.5945   3.3512   0.8172   2.9275   0.8664  351.770   45.188  326.256   51.650 25.51321 68.62720 
1 1 1    7   32   43 o  614.349   42.845   10.677   1.2242   10.534   1.4541   11.025   2.2682  620.802   45.559  607.895   72.575 12.90631 85.69033 
1 1 1    7   32   45 o  296.906   36.119   2.5266   0.5271   1.8689   0.7345   3.2249   0.7569  250.732   58.113  343.079   42.909 -92.34712 72.23835 
1 1 1    7   32   47 o  212.809   36.313   1.3605   0.4388   2.0565   0.6039   0.5821   0.6387  272.267   43.143  153.350   58.422 118.9167 72.62576 
1 1 1    7   33    0 o  1237.61   51.327   40.098   3.2363   42.749   4.6909   37.690   4.4707  1277.17   71.962  1198.05   73.208 0.000000 0.000000 
1 1 1    7   33    2 o  1299.05   35.655   43.809   2.3811   44.407   3.3959   43.231   3.3396  1307.75   50.508  1290.36   50.339 17.38452 71.31009 
1 1 1    7   33    4 o  1092.78   29.445   30.891   1.6484   34.570   2.3731   27.461   2.2914  1155.92   39.931  1029.64   43.285 126.2800 58.89068 
1 1 1    7   33    6 o  1287.41   29.128   42.904   1.9265   43.143   2.7826   42.684   2.6699  1290.68   41.934  1284.13   40.440 6.545898 58.25680 
1 1 1    7   33    8 o  1099.01   28.898   31.292   1.6311   31.082   2.3571   31.484   2.2594  1095.29   41.859  1102.74   39.853 -7.452759 57.79607 
1 1 1    7   33   10 o  770.579   31.235   15.309   1.2298   14.567   1.6354   16.275   1.8657  749.512   42.441  791.646   45.839 -42.13446 62.46944 
1 1 1    7   33   12 o  1235.08   33.143   39.684   2.1018   39.344   3.0441   39.994   2.9055  1229.63   48.152  1240.53   45.556 -10.90222 66.28651 
1 1 1    7   33   14 o  911.236   32.674   21.570   1.5283   23.344   2.2088   19.941   2.1169  947.323   45.352  875.149   47.048 72.17371 65.34742 
1 1 1    7   33   16 o  732.403   32.575   13.970   1.2263   14.339   1.7545   13.617   1.7147  741.881   46.000  722.925   46.135 18.95599 65.14929 
1 1 1    7   33   18 o  704.132   47.597   12.944   1.6952   12.054   2.1802   14.304   2.6960  675.444   62.781  732.820   71.558 -57.37616 95.19434 
1 1 1    7   33   20 o  879.855   31.820   20.229   1.4381   20.502   2.0008   19.938   2.0685  886.316   43.909  873.393   46.065 12.92371 63.63931 
1 1 1    7   33   22 o  754.643   31.952   14.954   1.2355   15.891   1.7182   13.951   1.7778  779.879   42.852  729.406   47.406 50.47357 63.90307 
1 1 1    7   33   24 o  800.757   45.786   17.622   1.8312   14.035   2.7183   20.601   2.4778  719.518   73.483  881.995   54.642 -162.4769 91.57258 
1 1 1    7   33   26 o  367.210   33.920   3.5568   0.6402   3.4350   0.8966   3.6834   0.9144  360.728   48.344  373.692   47.592 -12.96390 67.83901 
1 1 1    7   33   28 o  625.667   33.366   10.546   1.0402   13.463   1.4720   7.6362   1.4700  716.222   39.975  535.113   53.434 181.1094 66.73214 
1 1 1    7   33   30 o  167.381   36.399   0.7445   0.3580   0.4495   0.5223   1.0057   0.4915  143.941   53.255  190.821   49.633 -46.88000 72.79807 
1 1 1    7   33   32 o  393.611   53.142   4.6176   1.0241   5.6742   1.3698   3.2788   1.5419  457.123   58.285  330.099   88.878 127.0243 106.2844 
1 1 1    7   33   34 o  926.074   31.420   22.869   1.4938   23.768   2.0884   21.926   2.1376  945.807   42.949  906.340   45.874 39.46771 62.84101 
1 1 1    7   33   36 o  791.766   32.023   16.817   1.3001   17.583   1.8047   15.990   1.8745  811.947   43.232  771.584   47.253 40.36310 64.04591 
1 1 1    7   33   38 o  232.210   49.188   1.5522   0.6693   2.1838   0.9367   0.8934   0.9567  272.866   67.214  191.554   71.834 81.31239 98.37569 
1 1 1    7   33   40 o  362.816   34.320   3.5900   0.6394   3.5556   0.8815   3.6282   0.9289  361.455   47.435  364.177   49.612 -2.722443 68.63962 
1 1 1    7   33   42 o  270.633   44.754   2.4634   0.6286   3.0459   0.7564   1.1627   1.1302  334.574   43.973  206.691   77.962 127.8832 89.50793 
1 1 1    7   33   44 o  425.859   34.517   5.0839   0.7440   6.0778   1.0577   4.1102   1.0469  470.614   43.713  381.104   53.431 89.51041 69.03400 
1 1 1    7   33   46 o  198.296   37.498   1.1486   0.4216   1.7636   0.6053   0.5692   0.5875  246.207   49.532  150.384   56.312 95.82336 74.99574 
1 1 1    7   34    1 o  330.172   40.070   2.8841   0.6653   2.6908   0.9278   3.0887   0.9547  316.040   59.276  344.304   53.931 -28.26404 80.13906 
1 1 1    7   34    3 o  341.774   35.816   3.0021   0.6061   2.3905   0.7950   3.8514   0.9367  298.517   53.777  385.032   47.321 -86.51547 71.63260 
1 1 1    7   34    5 o  720.976   29.988   13.462   1.1108   14.098   1.6038   12.876   1.5400  737.328   42.308  704.624   42.511 32.70435 59.97610 
1 1 1    7   34    7 o  1402.56   29.153   51.057   2.0990   50.012   3.0344   52.016   2.9065  1388.40   42.510  1416.73   39.904 -28.32568 58.30521 
1 1 1    7   34    9 o  765.411   29.210   15.168   1.1483   16.051   1.6680   14.372   1.5831  786.562   41.247  744.260   41.372 42.30231 58.42097 
1 1 1    7   34   11 o  1521.89   33.629   60.215   2.6282   62.545   3.8312   58.144   3.6121  1549.43   48.095  1494.36   47.015 55.06885 67.25726 
1 1 1    7   34   13 f  712.886   33.750   13.242   1.2360   13.470   1.7905   13.034   1.7082  718.594   48.464  707.179   46.984 11.41559 67.50002 
1 1 1    7   34   15 o  440.270   49.409   5.2816   0.9610   5.3511   1.1298   5.0994   1.8279  452.617   48.551  427.923   86.068 24.69385 98.81725 
1 1 1    7   34   17 o  293.360   53.592   2.3122   0.7893   2.0826   0.9838   2.7268   1.3223  274.474   69.614  312.245   81.500 -37.77084 107.1840 
1 1 1    7   34   19 o  336.502   34.739   2.9697   0.6009   2.9726   0.8439   2.9666   0.8559  336.722   48.747  336.281   49.505 0.4408264 69.47710 
1 1 1    7   34   21 o  533.182   41.861   7.5111   1.0705   7.6501   1.8939   7.4459   1.2978  533.746   69.017  532.618   47.393 1.128662 83.72189 
1 1 1    7   34   23 o  222.466   44.603   1.3492   0.5792   0.5862   0.8485   2.0152   0.7927  174.686   67.147  270.247   58.728 -95.56100 89.20647 
1 1 1    7   34   25 f  816.697   31.759   17.532   1.3324   16.611   1.8472   18.531   1.9237  794.231   45.238  839.163   44.589 -44.93225 63.51899 
1 1 1    7   34   27 o  765.858   31.566   15.470   1.2418   14.590   1.7323   16.400   1.7810  743.164   45.340  788.553   43.930 -45.38879 63.13126 
1 1 1    7   34   29 o  369.866   33.626   3.6556   0.6358   3.9279   0.8783   3.3558   0.9215  385.210   44.350  354.523   50.557 30.68625 67.25269 
1 1 1    7   34   31 o  216.066   49.658   1.2686   0.6571   1.7053   0.8993   0.7684   0.9625  244.184   68.731  187.949   71.692 56.23450 99.31599 
1 1 1    7   34   33 o  750.075   32.027   15.018   1.2339   15.339   1.7219   14.678   1.7692  759.025   44.124  741.124   46.433 17.90082 64.05389 
1 1 1    7   34   35 o  222.669   37.996   1.3894   0.4385   0.9757   0.6052   1.8466   0.6362  187.527   57.397  257.812   49.803 -70.28458 75.99162 
1 1 1    7   34   37 o  516.725   48.940   7.6366   1.2935   6.9684   1.8528   8.2719   1.8066  491.487   73.326  541.964   64.836 -50.47653 97.87924 
1 1 1    7   34   39 o  453.212   33.984   5.6215   0.7879   6.0350   1.0931   5.1743   1.1367  472.212   45.024  434.213   50.918 37.99881 67.96863 
1 1 1    7   34   41 o  366.116   34.262   3.7189   0.6376   4.2344   0.8900   3.1754   0.9138  394.583   43.869  337.650   52.639 56.93265 68.52309 
1 1 1    7   34   43 o  226.485   44.545   1.3289   0.5250   2.3803   0.9417   0.8549   0.6323  278.737   66.621  174.232   59.149 104.5045 89.08919 
1 1 1    7   34   45 o  243.120   40.208   1.7743   0.4933   1.7051   0.6826   1.8500   0.7137  238.207   56.579  248.032   57.146 -9.824173 80.41689 
1 1 1    7   35    0 f  482.965   61.169   6.6476   1.3677   7.2034   1.9491   6.1083   1.9198  507.404   80.870  458.526   91.798 0.000000 0.000000 
1 1 1    7   35    2 o  217.639   42.196   1.2836   0.4919   1.5193   0.6842   1.0315   0.7075  236.383   56.971  198.895   62.260 37.48808 84.39214 
1 1 1    7   35    4 o  469.996   33.868   5.7881   0.8052   5.9769   1.0590   5.5293   1.2397  479.726   42.939  460.267   52.388 19.45905 67.73666 
1 1 1    7   35    6 o  520.977   30.579   7.0336   0.8168   7.8163   1.1861   6.3277   1.1264  548.620   42.050  493.335   44.410 55.28497 61.15886 
1 1 1    7   35    8 o  535.350   30.247   7.4763   0.8292   6.8268   1.1859   8.0975   1.1598  512.200   45.034  558.500   40.390 -46.30023 60.49319 
1 1 1    7   35   10 o  1687.32   28.757   74.087   2.4896   71.378   3.5936   76.588   3.4524  1656.94   42.184  1717.70   39.094 -60.76343 57.51391 
1 1 1    7   35   12 o  527.497   34.944   7.3201   0.9411   6.6502   1.3689   7.9206   1.2959  503.837   52.846  551.157   45.734 -47.31940 69.88802 
1 1 1    7   35   14 o  720.079   43.722   13.016   1.4818   12.075   1.7445   15.455   2.8079  679.126   49.963  761.032   71.765 -81.90631 87.44499 
1 1 1    7   35   16 o  371.697   41.981   3.7656   0.7401   3.5052   1.2366   3.9109   0.9238  356.703   69.932  386.690   46.467 -29.98639 83.96233 
1 1 1    7   35   18 o  606.880   32.992   9.6489   1.0282   10.285   1.4686   9.0378   1.4401  626.744   45.576  587.017   47.716 39.72723 65.98486 
1 1 1    7   35   20 o  1262.49   46.431   43.324   2.9367   39.549   4.5743   45.971   3.8303  1208.39   73.629  1316.60   56.587 -108.2113 92.86202 
1 1 1    7   35   22 o  329.215   40.239   2.8817   0.6507   2.7178   0.8285   3.1457   1.0513  320.712   50.246  337.718   62.864 -17.00534 80.47752 
1 1 1    7   35   24 o  958.401   32.016   24.208   1.5770   24.105   2.2004   24.318   2.2614  956.577   44.741  960.226   45.807 -3.648987 64.03178 
1 1 1    7   35   26 o  294.189   36.141   2.3541   0.5255   1.7854   0.7299   2.9661   0.7571  253.152   57.401  335.225   43.929 -82.07285 72.28154 
1 1 1    7   35   28 o  384.776   50.829   4.4334   0.8582   4.7546   1.0098   3.5983   1.6282  423.078   46.424  346.473   90.438 76.60495 101.6573 
1 1 1    7   35   30 o  422.004   56.652   5.5017   1.1531   6.8640   1.5112   3.6030   1.7841  502.289   58.520  341.719   97.023 160.5704 113.3048 
1 1 1    7   35   32 o  323.137   36.894   2.9116   0.5799   3.7182   0.8192   2.1015   0.8209  374.080   42.593  272.194   60.255 101.8859 73.78893 
1 1 1    7   35   34 o  263.708   39.263   1.9774   0.5233   2.3638   0.7141   1.5290   0.7691  296.687   46.816  230.729   63.045 65.95770 78.52668 
1 1 1    7   35   36 o  381.767   52.574   4.3168   0.9947   4.2398   1.4068   4.3937   1.4068  377.806   75.071  385.727   73.623 -7.920990 105.1471 
1 1 1    7   35   38 o  255.482   39.335   1.9105   0.5195   2.5740   0.7174   1.1789   0.7533  308.282   45.262  202.681   64.346 105.6009 78.67043 
1 1 1    7   35   40 o  389.169   34.779   4.1704   0.6948   3.8604   0.9643   4.5051   1.0018  373.599   50.204  404.738   48.145 -31.13959 69.55807 
1 1 1    7   35   42 o  233.723   50.996   1.7593   0.6891   2.0370   0.8578   1.2540   1.1572  258.614   64.683  208.832   78.858 49.78217 101.9929 
1 1 1    7   35   44 o  350.438   35.944   3.4941   0.6468   3.5668   0.9002   3.4164   0.9299  355.213   49.292  345.662   52.326 9.550751 71.88714 
1 1 1    7   36    1 o  722.335   36.859   13.639   1.3687   13.890   1.9437   13.392   1.9277  728.985   51.862  715.685   52.389 13.29999 73.71734 
1 1 1    7   36    3 o  801.544   36.448   16.815   1.4998   15.939   2.1357   17.667   2.1067  780.485   53.223  822.602   49.812 -42.11798 72.89686 
1 1 1    7   36    5 o  676.363   30.368   11.945   1.0517   10.934   1.5068   12.906   1.4687  647.898   45.234  704.828   40.529 -56.93024 60.73523 
1 1 1    7   36    7 o  978.315   29.655   24.854   1.4903   26.301   2.1539   23.526   2.0641  1005.66   41.658  950.967   42.217 54.69495 59.30994 
1 1 1    7   36    9 o  911.508   29.581   21.708   1.3805   19.999   1.9865   23.305   1.9198  876.045   44.105  946.971   39.432 -70.92499 59.16228 
1 1 1    7   36   11 o  186.378   39.264   0.9216   0.4018   0.8892   0.5336   0.9641   0.6107  182.343   53.456  190.413   57.525 -8.070572 78.52866 
1 1 1    7   36   13 o  728.680   53.646   14.757   1.9305   16.858   2.5392   11.878   2.9720  797.630   61.920  659.730   87.621 137.8999 107.2918 
1 1 1    7   36   15 o  1369.68   39.783   50.664   2.6400   45.965   4.4392   53.236   3.2838  1312.69   65.777  1426.68   44.770 -113.9905 79.56686 
1 1 1    7   36   17 o  624.357   43.173   10.124   1.2639   11.007   2.3639   9.7702   1.4956  638.790   71.978  609.923   47.695 28.86652 86.34586 
1 1 1    7   36   19 o  991.778   48.576   27.333   2.3745   22.971   3.7367   30.287   3.0752  915.535   79.385  1068.02   56.004 -152.4853 97.15191 
1 1 1    7   36   21 o  345.954   35.141   3.1651   0.6243   2.9743   0.8769   3.3611   0.8891  335.148   50.892  356.759   48.473 -21.61127 70.28239 
1 1 1    7   36   23 o  1017.84   32.611   27.374   1.7057   27.881   2.3916   26.849   2.4334  1027.94   45.253  1007.73   46.968 20.21613 65.22146 
1 1 1    7   36   25 o  632.122   32.719   10.599   1.0617   10.850   1.4733   10.328   1.5314  640.528   44.740  623.716   47.755 16.81140 65.43882 
1 1 1    7   36   27 o  255.895   37.456   1.8126   0.4768   2.1002   0.6887   1.5479   0.6607  276.514   50.296  235.277   55.515 41.23723 74.91105 
1 1 1    7   36   29 o  507.323   47.913   6.9312   1.2274   6.0554   1.5658   8.3272   1.9769  468.483   65.008  546.163   70.404 -77.67978 95.82677 
1 1 1    7   36   31 o  693.034   32.579   12.816   1.1560   11.312   1.6004   14.458   1.6716  649.478   47.930  736.591   44.140 -87.11279 65.15797 
1 1 1    7   36   33 o  260.762   37.413   1.8990   0.4841   1.7063   0.6661   2.1148   0.7048  246.024   54.130  275.499   51.660 -29.47499 74.82545 
1 1 1    7   36   35 o  614.552   48.773   10.950   1.4962   8.3748   2.1455   13.389   2.0877  534.334   78.099  694.771   58.446 -160.4371 97.54674 
1 1 1    7   36   37 o  738.435   33.300   14.882   1.2596   15.897   1.7563   13.806   1.8074  766.597   44.562  710.273   49.495 56.32312 66.59977 
1 1 1    7   36   39 f  596.947   33.840   9.7873   1.0366   9.6763   1.4206   9.9138   1.5161  594.423   46.483  599.471   49.192 -5.048584 67.67975 
1 1 1    7   36   41 o  343.266   54.483   4.0077   1.0001   5.4367   1.3287   2.1402   1.5190  433.782   59.577  252.750   91.237 181.0320 108.9659 
1 1 1    7   36   43 o  311.259   37.527   2.8218   0.5808   2.4076   0.8257   3.2274   0.8171  283.068   58.663  339.449   46.818 -56.38110 75.05454 
1 1 1    7   37    0 o  116.658   50.186   0.3267   0.5567   0.2871   0.7298   0.3818   0.8609  110.909   67.679  122.407   74.122 -0.000000 0.000000 
1 1 1    7   37    2 o  576.041   38.183   8.8017   1.1125   7.0503   1.5783   10.531   1.5684  517.236   59.351  634.846   48.053 -117.6102 76.36516 
1 1 1    7   37    4 o  818.502   33.496   17.632   1.3858   18.287   1.8221   16.732   2.1343  838.013   42.291  798.990   51.956 39.02313 66.99229 
1 1 1    7   37    6 o  533.648   33.237   7.3897   0.9060   7.0125   1.2027   7.8844   1.3774  518.357   45.130  548.940   48.806 -30.58289 66.47339 
1 1 1    7   37    8 o  1025.05   32.433   27.375   1.6969   26.819   2.2581   28.097   2.5720  1014.01   43.315  1036.09   48.284 -22.07520 64.86559 
1 1 1    7   37   10 o  1183.53   46.803   38.207   2.3350   38.956   2.6532   35.634   4.9175  1222.10   42.228  1144.95   83.539 77.14575 93.60539 
1 1 1    7   37   12 o  1253.86   47.900   42.768   2.7622   43.779   3.2766   40.284   5.1351  1291.30   49.355  1216.42   82.109 74.88074 95.80085 
1 1 1    7   37   14 o  798.299   34.237   16.757   1.4035   16.425   2.0215   17.066   1.9502  790.179   49.759  806.419   47.038 -16.23944 68.47303 
1 1 1    7   37   16 o  927.839   48.575   23.352   2.2318   22.562   3.6412   23.827   2.8246  909.074   77.907  946.605   58.040 -37.53082 97.14974 
1 1 1    7   37   18 f  316.685   43.656   2.9412   0.6758   3.8168   0.8947   1.7775   1.0314  380.915   45.684  252.456   74.408 128.4588 87.31274 
1 1 1    7   37   20 o  127.937   34.202   0.3215   0.3073   0.2998   0.4584   0.3393   0.4141  128.239   49.339  127.635   47.378 0.6036072 68.40334 
1 1 1    7   37   22 o  586.027   34.021   9.1387   1.0169   10.492   1.4447   7.8096   1.4316  630.462   44.569  541.593   51.413 88.86841 68.04226 
1 1 1    7   37   24 o  288.225   39.009   2.3808   0.5531   3.1093   0.7543   1.5338   0.8134  343.145   42.758  233.305   65.259 109.8401 78.01869 
1 1 1    7   37   26 o  304.179   37.636   2.5406   0.5651   3.2466   0.8155   1.8886   0.7837  349.564   45.376  258.795   60.057 90.76862 75.27184 
1 1 1    7   37   28 f  330.379   54.203   3.1320   0.8817   2.9053   1.1148   3.5107   1.4409  317.367   70.184  343.391   82.619 -26.02429 108.4052 
1 1 1    7   37   30 f  503.345   33.437   6.7956   0.8642   6.8987   1.1985   6.6840   1.2472  507.923   45.894  498.767   48.639 9.156097 66.87341 
1 1 1    7   37   32 o  394.635   34.268   4.1953   0.6948   4.0363   0.9628   4.3681   1.0037  386.861   48.409  402.409   48.516 -15.54788 68.53601 
1 1 1    7   37   34 o  260.172   49.327   2.0348   0.6979   1.3763   1.0193   2.6158   0.9574  220.085   75.096  300.259   63.978 -80.17467 98.65405 
1 1 1    7   37   36 o  503.020   35.505   6.9096   0.9146   6.1247   1.2526   7.8060   1.3386  471.631   51.659  534.409   48.722 -62.77808 71.01029 
1 1 1    7   37   38 o  575.454   34.482   9.1651   0.9990   7.0321   1.3877   11.460   1.4393  501.361   53.837  649.547   43.100 -148.1866 68.96384 
1 1 1    7   37   40 o  198.738   46.726   1.1385   0.6080   1.6997   0.8165   0.4401   0.9108  235.829   65.174  161.648   66.973 74.18074 93.45123 
1 1 1    7   37   42 o  224.151   37.620   1.5147   0.4575   0.8585   0.6666   2.0992   0.6291  173.456   60.654  274.847   44.522 -101.3916 75.24033 
1 1 1    7   38    1 o  1028.30   44.359   28.085   2.2318   28.177   2.7676   27.913   3.7738  1035.70   51.975  1020.90   71.900 14.79236 88.71873 
1 1 1    7   38    3 o  1084.24   42.343   30.007   2.2958   26.690   2.8717   35.880   3.8217  1006.35   55.503  1162.13   63.963 -155.7772 84.68682 
1 1 1    7   38    5 o  916.255   39.450   21.932   1.7052   21.611   2.0355   22.685   3.1223  909.709   43.522  922.801   65.810 -13.09235 78.89923 
1 1 1    7   38    7 o  500.758   44.011   6.5543   1.1331   6.5543   1.1331   0.0000   0.0000  500.758   44.011  ?   ?       ?      ? 
1 1 1    7   38    9 o  705.497   38.887   13.228   1.3999   14.075   1.9100   12.245   2.0578  731.428   50.792  679.567   58.897 51.86066 77.77334 
1 1 1    7   38   11 o  637.649   41.784   11.159   1.1985   10.022   2.2778   11.594   1.4094  609.116   72.734  666.181   41.151 -57.06433 83.56829 
1 1 1    7   38   13 o  701.175   50.387   14.156   1.5578   11.441   2.9410   15.215   1.8366  641.538   89.166  760.813   46.954 -119.2757 100.7732 
1 1 1    7   38   15 o  348.710   54.881   3.6277   0.9471   2.5703   1.5954   4.2030   1.1769  300.261   93.411  397.158   57.636 -96.89667 109.7612 
1 1 1    7   38   17 o  590.841   38.785   9.1623   1.1645   8.4681   1.5149   10.165   1.8206  564.859   52.165  616.823   57.411 -51.96387 77.57071 
1 1 1    7   38   19 o  703.588   34.230   13.218   1.2230   10.958   1.7357   15.447   1.7236  641.462   52.629  765.713   43.783 -124.2510 68.45990 
1 1 1    7   38   21 o  598.112   33.838   9.5055   1.0386   8.8681   1.4695   10.142   1.4681  577.395   49.504  618.828   46.145 -41.43268 67.67583 
1 1 1    7   38   23 o  319.990   37.871   2.8073   0.6029   2.4199   0.8626   3.1772   0.8429  294.386   59.045  345.593   47.441 -51.20721 75.74232 
1 1 1    7   38   25 o  310.503   38.552   2.6431   0.6009   2.4999   0.8612   2.7790   0.8390  299.083   58.100  321.923   50.689 -22.83975 77.10413 
1 1 1    7   38   27 o  255.010   51.611   1.9643   0.7676   2.6413   0.9836   0.9098   1.2275  304.260   64.860  205.761   80.300 98.49919 103.2222 
1 1 1    7   38   29 o  732.766   32.940   14.367   1.2401   13.773   1.7171   15.014   1.7928  716.974   46.583  748.558   46.585 -31.58356 65.87971 
1 1 1    7   38   31 o  519.404   33.989   7.3353   0.8992   8.1184   1.2434   6.4764   1.3021  550.731   43.913  488.076   51.890 62.65536 67.97731 
1 1 1    7   38   33 o  345.959   51.933   3.5241   0.8894   3.9564   1.3579   3.1993   1.1769  363.747   75.097  328.172   71.755 35.57559 103.8669 
1 1 1    7   38   35 o  348.331   35.652   3.3454   0.6356   3.6119   0.8870   3.0643   0.9111  363.937   47.406  332.725   53.262 31.21234 71.30340 
1 1 1    7   38   37 o  438.824   34.796   5.3084   0.7842   5.0350   1.0814   5.6118   1.1390  426.892   49.270  450.757   49.148 -23.86423 69.59207 
1 1 1    7   38   39 o  276.346   53.735   2.6182   0.8562   3.3985   1.0899   1.3604   1.3837  335.272   65.578  217.420   85.144 117.8522 107.4704 
1 1 1    7   38   41 o  184.500   37.582   0.9886   0.4203   0.3649   0.6101   1.5515   0.5797  138.670   55.801  230.330   50.356 -91.66042 75.16323 
1 1 1    7   39    0 o  260.535   99.477   2.4393   1.2560   0.0000   0.0000   2.4393   1.2560  260.535   99.477  260.535   99.477 0.000000 0.000000 
1 1 1    7   39    2 o  1428.32   53.773   55.306   3.9424   56.646   5.4707   53.860   5.6864  1448.76   73.447  1407.88   78.560 40.88428 107.5461 
1 1 1    7   39    4 o  1451.19   55.812   57.783   4.1080   67.511   5.7769   47.832   5.8427  1583.54   70.957  1318.85   86.168 264.6906 111.6240 
1 1 1    7   39    6 o  189.794   47.560   0.7410   0.6356   1.3975   0.8729   0.0000   0.9274  226.734   68.837  152.853   65.645 73.88062 95.12005 
1 1 1    7   39    8 o  729.927   48.294   15.534   1.6198   11.087   2.7482   17.901   2.0051  634.552   84.239  825.302   47.257 -190.7495 96.58895 
1 1 1    7   39   10 o  419.932   52.183   4.6630   1.1266   0.0000   0.0000   4.6630   1.1266  ?   ?   419.932   52.183      ?      ? 
1 1 1    7   39   12 o  779.031   55.119   17.588   2.0401   13.466   3.3320   20.061   2.5803  690.695   93.832  867.366   57.863 -176.6703 110.2389 
1 1 1    7   39   14 o  141.149   35.847   0.4075   0.3417   0.1744   0.4648   0.6815   0.5040  119.998   48.559  162.300   52.746 -42.30242 71.69471 
1 1 1    7   39   16 o  244.991   41.136   1.6943   0.5145   1.3386   0.7550   2.0027   0.7029  219.794   63.348  270.188   52.496 -50.39410 82.27275 
1 1 1    7   39   18 o  153.165   36.394   0.5448   0.3471   0.8532   0.5257   0.3063   0.4623  177.504   53.314  128.827   49.553 48.67714 72.78709 
1 1 1    7   39   20 o  356.978   35.737   3.4108   0.6536   3.1420   0.9341   3.6685   0.9148  342.494   53.050  371.463   47.900 -28.96884 71.47478 
1 1 1    7   39   22 o  875.266   33.621   20.410   1.5128   20.075   2.1336   20.749   2.1453  867.866   47.819  882.666   47.275 -14.79974 67.24234 
1 1 1    7   39   24 o  185.381   40.128   0.9231   0.4244   1.1849   0.6195   0.6915   0.5826  205.674   56.737  165.089   56.762 40.58531 80.25601 
1 1 1    7   39   26 o  533.587   62.539   9.2565   1.5114   11.583   1.9385   5.6490   2.4138  651.355   57.886  415.819  110.877 235.5368 125.0780 
1 1 1    7   39   28 o  211.899   40.137   1.2675   0.4523   1.5487   0.6440   0.9939   0.6353  234.286   54.495  189.512   58.943 44.77440 80.27419 
1 1 1    7   39   30 o  566.909   34.437   8.7223   0.9983   9.6341   1.4045   7.7909   1.4194  598.683   45.629  535.134   51.591 63.54926 68.87413 
1 1 1    7   39   32 o  349.702   55.316   3.7748   0.9615   3.3529   1.4907   4.0754   1.2583  325.900   87.240  373.504   68.033 -47.60379 110.6312 
1 1 1    7   39   34 o  225.207   38.990   1.4900   0.4657   2.0227   0.6470   0.9173   0.6708  268.462   48.670  181.952   60.927 86.50937 77.97990 
1 1 1    7   39   36 o  220.347   40.870   1.4501   0.4747   1.6869   0.6376   1.1558   0.7109  241.901   52.755  198.793   62.437 43.10768 81.73994 
1 1 1    7   39   38 o  347.835   52.526   4.1877   0.8399   4.6907   0.9861   2.8587   1.6028  411.477   46.612  284.194   94.146 127.2829 105.0528 
1 1 1    7   39   40 o  157.559   38.303   0.6344   0.3792   0.3924   0.4929   0.9854   0.5936  132.913   51.155  182.206   57.024 -49.29254 76.60693 
1 1 1    7   40    1 o  659.458   60.948   12.276   1.9146   8.1433   2.6451   16.823   2.7747  528.934  100.952  789.982   68.317 -261.0475 121.8958 
1 1 1    7   40    3 o  602.611   81.931   9.9955   2.5384   0.0000   0.0000   9.9955   2.5384  ?   ?   602.611   81.931      ?      ? 
1 1 1    7   40    5 o  719.467   68.756   13.984   2.5433   0.0000   0.0000   13.984   2.5433  ?   ?   719.467   68.756      ?      ? 
1 1 1    7   40    7 o  343.876   55.284   3.2069   0.9409   4.2326   1.5258   2.5775   1.1952  386.458   79.448  301.294   76.898 85.16418 110.5679 
1 1 1    7   40    9 o  868.695   50.986   20.209   2.2268   22.269   3.6059   18.939   2.8312  899.700   77.955  837.690   65.738 62.01025 101.9725 
1 1 1    7   40   11 o  687.617   42.910   12.650   1.5110   12.186   2.0341   13.221   2.2568  674.580   58.651  700.654   62.651 -26.07349 85.82024 
1 1 1    7   40   13 o  1109.26   41.184   32.917   2.3446   31.524   3.2013   34.529   3.4434  1084.67   57.406  1133.85   59.070 -49.18396 82.36890 
1 1 1    7   40   15 o  1253.80   38.795   41.826   2.4643   40.639   3.2044   43.544   3.8552  1236.02   50.425  1271.59   58.970 -35.57202 77.59000 
1 1 1    7   40   17 o  939.020   38.546   23.004   1.8350   19.503   2.3733   28.207   2.8934  852.917   54.123  1025.12   54.898 -172.2074 77.09163 
1 1 1    7   40   19 o  422.133   40.216   4.8440   0.8552   4.9881   1.1158   4.6387   1.3313  432.036   50.236  412.231   62.814 19.80484 80.43162 
1 1 1    7   40   21 o  781.565   38.396   16.204   1.5179   15.025   1.9516   18.010   2.4150  748.530   50.713  814.601   57.664 -66.07019 76.79195 
1 1 1    7   40   23 o  309.445   39.333   2.6450   0.6036   3.3433   0.8734   2.0064   0.8352  353.410   48.068  265.480   62.271 87.93042 78.66517 
1 1 1    7   40   25 o  207.861   50.418   1.0882   0.6193   0.9009   0.7545   1.4750   1.0844  186.129   64.560  229.594   77.461 -43.46428 100.8370 
1 1 1    7   40   27 o  225.029   40.023   1.4430   0.4641   1.2845   0.6672   1.5916   0.6460  212.570   58.979  237.489   54.117 -24.91913 80.04512 
1 1 1    7   40   29 o  204.632   46.988   1.0411   0.5123   1.5710   1.0076   0.8564   0.5949  232.221   74.494  177.043   57.288 55.17819 93.97507 
1 1 1    7   40   31 o  508.734   40.764   7.4073   1.0098   8.0037   1.2803   6.4259   1.6425  543.844   45.791  473.625   67.453 70.21860 81.52735 
1 1 1    7   40   33 o  452.159   49.377   6.2038   1.0064   5.4696   1.7760   6.5511   1.2214  415.527   85.967  488.792   48.602 -73.26401 98.75482 
1 1 1    7   40   35 o  236.939   40.171   1.6462   0.4831   1.6236   0.6818   1.6690   0.6845  235.205   56.984  238.673   56.636 -3.467499 80.34177 
1 1 1    7   40   37 o  380.354   54.822   5.1004   0.9329   5.7199   1.0952   3.4632   1.7806  453.883   46.934  306.824   99.091 147.0590 109.6439 
1 1 1    7   40   39 f  288.591   41.186   2.5308   0.5971   3.1866   0.8330   1.8378   0.8564  336.074   48.212  241.107   66.789 94.96678 82.37252 
1 1 1    7   41    0 o   81.205   52.439   0.0000   0.5107   0.0000   0.0000   0.0000   0.5107   81.205   52.439   81.205   52.439 0.000000 0.000000 
1 1 1    7   41    2 o  908.604   52.887   22.550   2.4664   24.034   3.6159   21.258   3.3727  936.221   75.123  880.988   74.462 55.23254 105.7733 
1 1 1    7   41    4 o  198.715   46.868   0.9634   0.5750   1.4337   0.8607   0.5843   0.7727  227.896   68.169  169.534   64.339 58.36201 93.73593 
1 1 1    7   41    6 o  786.039   38.856   15.854   1.4721   14.776   1.7697   18.276   2.6525  748.506   45.986  823.572   62.646 -75.06653 77.71198 
1 1 1    7   41    8 o  921.968   33.222   22.235   1.5660   20.318   2.0847   24.718   2.3723  877.231   46.222  966.706   47.732 -89.47437 66.44453 
1 1 1    7   41   10 o  950.146   30.695   23.876   1.4932   21.911   2.1425   25.732   2.0821  910.697   45.760  989.596   40.924 -78.89850 61.39009 
1 1 1    7   41   12 o  504.006   35.659   6.5244   0.8924   7.6759   1.5116   5.9085   1.1056  535.338   54.922  472.674   45.494 62.66342 71.31710 
1 1 1    7   41   14 o  543.691   41.718   8.3478   1.1069   6.1309   1.6816   10.043   1.4704  472.021   69.293  615.361   46.476 -143.3395 83.43565 
1 1 1    7   41   16 o  277.580   52.216   2.3121   0.7639   1.6843   1.2618   2.6753   0.9598  246.642   83.556  308.517   62.647 -61.87483 104.4327 
1 1 1    7   41   18 o  578.860   50.087   9.5442   1.2831   8.8127   2.4925   9.8079   1.4967  551.443   87.917  606.276   48.015 -54.83289 100.1740 
1 1 1    7   41   20 o  142.348   40.303   0.2984   0.4041   0.4221   0.7864   0.2540   0.4711  159.445   63.633  125.250   49.481 34.19469 80.60699 
1 1 1    7   41   22 o  241.068   43.935   1.6348   0.5417   1.5083   0.7057   1.8162   0.8452  230.589   59.218  251.546   64.918 -20.95616 87.87003 
1 1 1    7   41   24 o  431.567   66.113   5.1995   1.4669   5.1995   1.4669   0.0000   0.0000  431.567   66.113  ?   ?       ?      ? 
1 1 1    7   41   26 o  153.490   38.770   0.5614   0.4003   0.7798   0.5311   0.2743   0.6090  169.518   54.053  137.462   55.596 32.05589 77.54096 
1 1 1    7   41   28 o  434.658   54.640   5.7486   1.1306   4.9525   1.8372   6.2338   1.4343  395.662   92.049  473.654   58.900 -77.99139 109.2802 
1 1 1    7   41   30 o  864.357   38.927   20.548   1.6742   20.052   2.1107   21.388   2.7491  858.119   47.842  870.595   61.420 -12.47589 77.85445 
1 1 1    7   41   32 o  568.345   34.916   8.9105   1.0174   9.4241   1.4200   8.3690   1.4583  586.931   47.058  549.759   51.595 37.17224 69.83161 
1 1 1    7   41   34 o  259.226   42.050   1.9871   0.5482   2.0163   0.7902   1.9600   0.7613  260.733   60.168  257.718   58.759 3.015564 84.10050 
1 1 1    7   41   36 o  170.996   47.316   0.6821   0.6295   1.0230   0.7709   0.0000   1.0905  187.865   65.255  154.127   68.534 33.73862 94.63148 
1 1 1    7   41   38 o  255.087   41.857   1.9723   0.5406   1.6499   0.7438   2.3333   0.7870  231.044   61.519  279.131   56.775 -48.08768 83.71408 
1 1 1    7   42    1 o  312.040   45.211   2.7195   0.7007   2.6370   0.9760   2.8072   1.0068  307.064   63.900  317.017   63.976 -9.952606 90.42194 
1 1 1    7   42    3 o  365.775   42.017   3.6749   0.7633   3.1240   1.0881   4.2085   1.0710  334.138   65.683  397.412   52.416 -63.27377 84.03393 
1 1 1    7   42    5 o  556.890   37.858   8.2965   1.0809   7.6297   1.5312   8.9589   1.5262  533.643   55.808  580.136   51.169 -46.49316 75.71551 
1 1 1    7   42    7 o  1534.07   30.559   62.090   2.4080   61.564   3.4712   62.578   3.3433  1526.90   44.218  1541.24   42.192 -14.34937 61.11814 
1 1 1    7   42    9 o  271.599   36.028   2.0241   0.4845   2.0310   0.6938   2.0175   0.6769  271.887   51.516  271.311   50.380 0.5758057 72.05611 
1 1 1    7   42   11 o  1159.19   30.619   35.686   1.8148   32.189   2.6039   38.988   2.5307  1101.69   45.972  1216.69   40.457 -115.0009 61.23842 
1 1 1    7   42   13 o  1137.65   30.069   34.290   1.7545   32.397   2.5182   36.075   2.4457  1105.73   44.297  1169.56   40.674 -63.83240 60.13817 
1 1 1    7   42   15 o  633.307   33.582   10.889   1.0712   12.340   1.4505   9.1498   1.5886  683.325   41.288  583.290   52.975 100.0358 67.16434 
1 1 1    7   42   17 o  159.471   37.654   0.6438   0.3701   0.4423   0.5233   0.8453   0.5233  142.997   53.226  175.944   53.276 -32.94653 75.30829 
1 1 1    7   42   19 o  521.951   52.216   7.8821   1.1650   7.4528   2.2774   8.0343   1.3558  496.256   92.668  547.646   48.153 -51.39017 104.4317 
1 1 1    7   42   21 o  383.315   66.561   4.5608   1.3026   4.4121   1.8468   4.7080   1.8375  376.093   95.372  390.536   92.873 -14.44385 133.1216 
1 1 1    7   42   23 o  209.054   79.802   1.0435   1.1932   0.0000   0.0000   1.0435   1.1932  ?   ?   209.054   79.802      ?      ? 
1 1 1    7   42   25 o  251.400   48.480   1.4035   0.5901   3.0697   1.2202   0.8948   0.6742  320.639   75.303  182.161   61.079 138.4776 96.96001 
1 1 1    7   42   27 o  584.320   58.666   10.740   1.5789   8.3564   2.5468   12.228   2.0122  506.390  101.360  662.251   59.100 -155.8614 117.3315 
1 1 1    7   42   29 o  219.996   51.250   1.4162   0.6477   1.2975   1.1742   1.4681   0.7766  216.594   79.902  223.398   64.203 -6.804413 102.5004 
1 1 1    7   42   31 o  287.007   44.492   2.4381   0.6294   2.4471   0.8158   2.4248   0.9894  291.112   56.542  282.901   68.710 8.210266 88.98359 
1 1 1    7   42   33 o  264.850   45.796   2.1145   0.6115   2.0658   0.7973   2.1841   0.9531  263.626   60.152  266.073   69.071 -2.446838 91.59155 
1 1 1    7   42   35 o  347.513   52.675   3.4319   0.9411   3.4319   0.9411   0.0000   0.0000  347.513   52.675  ?   ?       ?      ? 
1 1 1    7   42   37 o  450.798   50.841   6.4172   1.1436   5.6086   1.5923   7.2787   1.6436  413.159   77.819  488.437   65.449 -75.27808 101.6828 
1 1 1    7   43    0 o  543.715   63.291   8.5419   1.6155   9.4917   2.3506   7.6918   2.2239  577.167   84.517  510.263   94.233 0.000000 0.000000 
1 1 1    7   43    2 o  617.279   38.389   10.227   1.2174   9.9327   1.7369   10.512   1.7068  607.924   55.570  626.634   52.979 -18.71051 76.77821 
1 1 1    7   43    4 o  646.570   37.938   11.213   1.2604   10.913   1.7940   11.506   1.7713  637.472   54.738  655.669   52.546 -18.19727 75.87664 
1 1 1    7   43    6 o  643.735   34.755   10.925   1.1397   10.218   1.4956   11.905   1.7599  620.170   46.906  667.300   51.298 -47.12927 69.51044 
1 1 1    7   43    8 o  450.445   31.972   5.3880   0.7362   6.1274   1.0537   4.6829   1.0289  481.463   42.569  419.427   47.715 62.03592 63.94415 
1 1 1    7   43   10 o  269.671   37.916   2.0031   0.5064   2.3179   0.7455   1.7333   0.6901  290.215   51.865  249.126   55.324 41.08867 75.83290 
1 1 1    7   43   12 f  292.960   39.258   2.3741   0.5703   2.2491   0.8749   2.4665   0.7521  281.990   62.032  303.929   48.135 -21.93893 78.51681 
1 1 1    7   43   14 o  590.315   31.602   9.4007   0.9412   7.5291   1.3497   11.173   1.3133  530.020   49.531  650.609   39.261 -120.5899 63.20429 
1 1 1    7   43   16 o  512.363   36.281   7.0539   0.9546   7.4900   1.3872   6.6616   1.3158  527.441   51.155  497.285   51.463 30.15530 72.56251 
1 1 1    7   43   18 o  538.481   47.939   8.7098   1.1731   6.2542   1.9009   10.220   1.4908  459.164   83.603  617.798   46.937 -158.6336 95.87778 
1 1 1    7   43   20 o  308.866   53.361   3.1418   0.8525   3.7459   1.0074   1.6177   1.6000  371.550   52.735  246.181   92.783 125.3694 106.7224 
1 1 1    7   43   22 o  410.203   40.180   4.4210   0.8284   5.7468   1.3518   3.6236   1.0483  456.957   57.538  363.448   56.100 93.50949 80.36028 
1 1 1    7   43   24 o  620.587   35.212   10.480   1.1202   11.398   1.5883   9.5710   1.5801  649.130   47.591  592.045   51.911 57.08533 70.42451 
1 1 1    7   43   26 o  323.223   55.684   2.7593   0.9028   5.0455   1.6131   1.7167   1.0894  406.930   79.955  239.517   77.523 167.4130 111.3670 
1 1 1    7   43   28 o  436.186   57.258   6.3681   1.0908   4.6015   2.0211   7.0942   1.2957  364.172  103.220  508.201   49.591 -144.0287 114.5153 
1 1 1    7   43   30 o  365.968   53.606   4.1157   0.9134   4.0784   1.6682   4.1317   1.0915  348.820   91.780  383.115   55.417 -34.29504 107.2124 
1 1 1    7   43   32 o  458.837   57.183   7.3682   1.1240   4.9808   2.0550   8.3872   1.3426  367.517  104.051  550.157   47.466 -182.6405 114.3662 
1 1 1    7   43   34 o  254.812   63.019   2.2539   1.0092   2.2704   1.2950   2.2283   1.6104  257.846   84.587  251.779   93.437 6.067215 126.0379 
1 1 1    7   43   36 o  200.579   58.915   1.2328   0.6476   0.0000   0.0000   1.2328   0.6476  ?   ?   200.579   58.915      ?      ? 
1 1 1    7   44    1 o  1024.67   38.403   28.286   2.0220   27.368   2.8660   29.196   2.8533  1007.21   55.345  1042.13   53.254 -34.92163 76.80536 
1 1 1    7   44    3 o  714.441   39.591   13.927   1.4247   10.822   2.0079   17.076   2.0219  629.435   62.048  799.447   49.193 -170.0123 79.18254 
1 1 1    7   44    5 o  279.771   42.422   2.1621   0.6076   2.8747   0.8877   1.5339   0.8334  326.985   52.803  232.557   66.411 94.42845 84.84428 
1 1 1    7   44    7 o  238.210   40.303   1.6218   0.4896   1.8730   0.6596   1.3136   0.7307  260.239   51.123  216.182   62.321 44.05777 80.60651 
1 1 1    7   44    9 o  419.152   34.345   4.7918   0.7209   3.6752   1.0370   5.8363   1.0030  368.742   54.700  469.562   41.547 -100.8199 68.68954 
1 1 1    7   44   11 o  560.510   33.332   8.5130   0.9401   6.6344   1.3389   10.340   1.3203  496.072   52.495  624.948   41.091 -128.8758 66.66492 
1 1 1    7   44   13 o  771.613   30.996   15.841   1.2294   15.929   1.7559   15.756   1.7220  773.521   44.152  769.705   43.515 3.816101 61.99101 
1 1 1    7   44   15 o  201.279   39.897   1.1455   0.4307   1.0123   0.6467   1.2517   0.5774  191.461   59.458  211.097   53.215 -19.63599 79.79442 
1 1 1    7   44   17 o  1188.97   35.473   38.247   2.1617   36.455   3.1295   39.883   2.9895  1159.57   52.494  1218.36   47.727 -58.78564 70.94641 
1 1 1    7   44   19 o  494.753   61.605   7.5401   1.4374   8.0336   1.8006   6.6731   2.3864  535.527   65.398  453.978  104.421 81.54868 123.2097 
1 1 1    7   44   21 o  467.746   41.091   5.7842   0.9593   7.2096   1.6104   5.0002   1.1943  508.392   61.611  427.099   54.387 81.29248 82.18212 
1 1 1    7   44   23 o  532.396   61.248   9.5327   1.3304   6.7414   2.5583   10.567   1.5576  441.238  112.448  623.553   48.586 -182.3147 122.4952 
1 1 1    7   44   25 o  643.799   42.664   12.150   1.3346   13.972   1.7345   9.5069   2.0893  716.530   47.085  571.068   71.161 145.4616 85.32825 
1 1 1    7   44   27 o  270.386   53.470   2.0348   0.6962   2.8780   1.3886   1.7517   0.8047  298.125   85.904  242.647   63.694 55.47769 106.9408 
1 1 1    7   44   29 o  322.719   39.300   2.9638   0.6380   2.7610   0.8745   3.1946   0.9329  308.266   57.285  337.173   53.818 -28.90689 78.60001 
1 1 1    7   44   31 o  207.597   41.935   1.2632   0.4782   1.6449   0.7050   0.9379   0.6507  234.676   58.605  180.517   59.997 54.15852 83.86993 
1 1 1    7   44   33 o  322.135   55.302   3.6173   0.8570   3.8602   0.9876   2.8767   1.7244  367.759   52.232  276.511   97.494 91.24817 110.6039 
1 1 1    7   44   35 o  267.766   46.821   2.2486   0.6289   2.4749   1.0111   2.1059   0.8032  274.930   71.030  260.602   61.021 14.32834 93.64177 
1 1 1    7   45    0 o  552.765   72.898   9.1676   1.7339   5.9650   2.3207   13.215   2.6089  416.720  124.399  688.811   76.035 -0.000000 0.000000 
1 1 1    7   45    2 o  287.084   45.242   2.3535   0.6523   2.0420   0.9236   2.6635   0.9213  266.480   67.375  307.688   60.398 -41.20706 90.48384 
1 1 1    7   45    4 o  205.240   40.099   1.1735   0.4860   0.4174   0.7149   1.8234   0.6627  154.369   60.965  256.111   52.104 -101.7421 80.19731 
1 1 1    7   45    6 o  836.921   38.061   18.933   1.6367   19.158   2.3615   18.726   2.2705  841.089   54.610  832.754   53.031 8.334229 76.12132 
1 1 1    7   45    8 f  565.386   32.571   8.5820   0.9406   7.6491   1.3487   9.4656   1.3125  533.846   49.138  596.927   42.768 -63.08130 65.14297 
1 1 1    7   45   10 o  296.041   36.703   2.4088   0.5366   1.7870   0.7402   3.0977   0.7791  251.183   58.418  340.899   44.451 -89.71561 73.40681 
1 1 1    7   45   12 o  497.016   32.990   6.6157   0.8428   6.6394   1.2058   6.5932   1.1785  497.681   47.124  496.351   46.181 1.329926 65.98061 
1 1 1    7   45   14 o  301.222   36.091   2.4853   0.5467   2.6277   0.7769   2.3456   0.7695  312.494   48.354  289.950   53.593 22.54385 72.18211 
1 1 1    7   45   16 o  257.781   50.465   1.5737   0.5975   1.2335   0.6719   2.8594   1.3062  208.382   59.671  307.180   81.401 -98.79802 100.9294 
1 1 1    7   45   18 o  467.748   57.867   6.0492   1.3059   3.1134   1.6512   10.953   2.1340  312.706   94.619  622.790   66.646 -310.0840 115.7340 
1 1 1    7   45   20 o  185.753   39.911   0.9518   0.4345   0.5670   0.6203   1.3223   0.6087  156.263   57.991  215.242   54.850 -58.97871 79.82201 
1 1 1    7   45   22 o  479.537   62.338   7.5162   1.3743   5.9880   2.3579   8.3024   1.6912  415.684  108.993  543.390   60.536 -127.7056 124.6759 
1 1 1    7   45   24 o  669.828   36.219   12.373   1.2450   13.336   1.7777   11.447   1.7441  696.784   49.625  642.873   52.769 53.91022 72.43742 
1 1 1    7   45   26 o  242.357   41.606   1.6933   0.5386   0.9566   0.7315   2.5656   0.7960  185.105   63.607  299.609   53.649 -114.5039 83.21107 
1 1 1    7   45   28 o  263.035   41.027   2.0426   0.5563   1.4676   0.7917   2.6034   0.7819  220.268   65.264  305.802   49.733 -85.53490 82.05326 
1 1 1    7   45   30 o  334.180   41.799   3.2643   0.7009   3.6662   1.0230   2.9088   0.9622  357.546   55.652  310.814   62.382 46.73203 83.59824 
1 1 1    7   45   32 o  392.952   51.195   4.1701   0.9394   3.0966   1.0971   7.1185   1.8182  312.180   70.076  473.724   74.654 -161.5437 102.3907 
1 1 1    7   46    1 o  340.082   43.912   3.2368   0.7504   3.0251   1.0677   3.4435   1.0550  325.134   66.124  355.030   57.798 -29.89505 87.82388 
1 1 1    7   46    3 o  391.368   41.444   4.1769   0.8320   4.5860   1.2156   3.8164   1.1411  409.691   57.711  373.044   59.496 36.64633 82.88736 
1 1 1    7   46    5 o  547.963   39.354   8.1930   1.1052   7.5530   1.5724   8.8181   1.5538  525.318   58.221  570.609   52.966 -45.29041 78.70841 
1 1 1    7   46    7 o  248.156   40.482   1.7041   0.5122   1.1980   0.6850   2.3458   0.7713  206.173   60.606  290.139   53.686 -83.96651 80.96461 
1 1 1    7   46    9 o  958.741   31.430   24.543   1.5483   24.948   2.2352   24.169   2.1468  965.874   45.012  951.608   43.879 14.26617 62.86044 
1 1 1    7   46   11 o  512.455   32.733   7.0173   0.8602   7.7490   1.2596   6.3779   1.1775  537.718   45.562  487.192   47.009 50.52670 65.46581 
1 1 1    7   46   13 f  621.073   32.511   10.403   1.0331   9.4457   1.4787   11.315   1.4441  591.473   48.626  650.674   43.167 -59.20081 65.02199 
1 1 1    7   46   15 o  433.098   48.289   6.0567   0.9167   7.6178   1.1577   3.4322   1.5011  533.878   42.178  332.317   86.882 201.5612 96.57850 
1 1 1    7   46   17 o  524.278   36.714   7.5140   0.9892   7.5719   1.4219   7.4597   1.3769  525.823   52.598  522.732   51.235 3.090454 73.42756 
1 1 1    7   46   19 o  460.798   60.039   7.1018   1.1928   5.1716   2.2478   7.8583   1.4073  386.056  108.658  535.540   51.111 -149.4837 120.0781 
1 1 1    7   46   21 o  174.261   45.683   0.7621   0.5306   0.5162   0.9558   0.8716   0.6379  170.580   69.411  177.942   59.412 -7.361954 91.36580 
1 1 1    7   46   23 o  183.778   40.907   0.9612   0.4315   0.9385   0.6103   0.9840   0.6101  181.958   57.936  185.599   57.767 -3.641129 81.81467 
1 1 1    7   46   25 o  205.754   43.441   1.2442   0.5106   1.6134   0.7165   0.8632   0.7278  233.352   59.530  178.156   63.282 55.19583 86.88138 
1 1 1    7   46   27 o  435.462   37.615   5.3493   0.8404   5.8316   1.2139   4.9053   1.1646  455.256   51.862  415.668   54.497 39.58792 75.23016 
1 1 1    7   46   29 o  494.177   37.225   6.9591   0.9453   6.8068   1.3457   7.1076   1.3283  487.909   53.645  500.445   51.625 -12.53503 74.45042 
1 1 1    7   46   31 o  193.793   50.032   1.0658   0.5765   1.0178   0.6529   1.2354   1.2277  184.082   60.046  203.505   80.046 -19.42313 100.0644 
1 1 1    7   47    0 o  220.636   72.515   1.9858   0.9074   1.9824   1.1816   1.9908   1.4166  223.512   98.250  217.761  106.679 -0.000000 0.000000 
1 1 1    7   47    2 o  154.980   41.300   0.4676   0.4612   0.8035   0.6743   0.1723   0.6323  176.142   61.039  133.818   55.651 42.32384 82.60035 
1 1 1    7   47    4 o  319.330   43.999   2.9011   0.7042   2.4626   1.0153   3.3077   0.9775  290.464   69.007  348.197   54.605 -57.73239 87.99786 
1 1 1    7   47    6 o  255.840   43.729   1.9036   0.5745   1.5139   0.8348   2.2544   0.7919  229.037   66.782  282.642   56.472 -53.60533 87.45808 
1 1 1    7   47    8 o  868.109   34.995   20.220   1.5515   19.016   2.0571   21.808   2.3628  839.969   47.635  896.249   51.279 -56.27960 69.98988 
1 1 1    7   47   10 o  303.820   37.653   2.5625   0.5729   2.3230   0.8158   2.7956   0.8048  286.146   57.446  321.494   48.693 -35.34772 75.30624 
1 1 1    7   47   12 o  321.745   42.055   2.8339   0.6558   2.6160   0.8146   3.2354   1.1056  309.878   51.128  333.611   66.787 -23.73309 84.11089 
1 1 1    7   47   14 o  517.737   41.385   7.3885   1.0958   6.8070   1.4608   8.1366   1.6570  495.438   57.350  540.037   59.681 -44.59860 82.76983 
1 1 1    7   47   16 o  459.724   46.583   5.7312   1.1010   0.0000   0.0000   5.7312   1.1010  ?   ?   459.724   46.583      ?      ? 
1 1 1    7   47   18 o  571.237   55.764   9.3687   1.5559   11.247   2.7321   8.4669   1.8928  601.279   88.378  541.195   68.028 60.08380 111.5278 
1 1 1    7   47   20 o  635.749   37.010   11.217   1.2085   10.977   1.7330   11.446   1.6862  627.888   53.685  643.610   50.959 -15.72229 74.01951 
1 1 1    7   47   22 o  499.642   38.916   7.0118   0.9989   7.3716   1.4422   6.6800   1.3850  512.152   54.771  487.132   55.300 25.02008 77.83291 
1 1 1    7   47   24 o  219.112   41.736   1.4346   0.5114   0.8114   0.7335   2.0236   0.7132  174.331   63.330  263.894   54.376 -89.56267 83.47141 
1 1 1    7   47   26 o  282.460   42.575   2.3902   0.5994   2.2822   0.8518   2.4962   0.8438  274.955   61.763  289.964   58.615 -15.00864 85.14909 
1 1 1    7   47   28 o  196.061   41.256   1.1377   0.4781   0.6107   0.6795   1.6546   0.6729  157.351   60.184  234.770   56.446 -77.41946 82.51229 
1 1 1    7   47   30 o  509.843   62.527   9.2627   1.3303   9.6208   1.5482   8.2523   2.6003  576.762   52.212  442.925  113.633 133.8365 125.0542 
1 1 1    7   48    1 o  595.439   40.878   9.7868   1.2460   8.6748   1.7363   10.967   1.7890  558.651   60.453  632.227   55.039 -73.57581 81.75544 
1 1 1    7   48    3 o  596.560   40.178   9.7872   1.2309   10.370   1.7907   9.2655   1.6947  613.373   56.785  579.747   56.856 33.62567 80.35692 
1 1 1    7   48    5 f  950.401   38.771   24.764   1.8920   26.575   2.7303   23.091   2.6242  984.768   53.927  916.033   55.721 68.73492 77.54260 
1 1 1    7   48    7 o  197.244   43.001   1.0809   0.4866   1.3754   0.7069   0.8155   0.6709  218.497   60.734  175.991   60.890 42.50665 86.00139 
1 1 1    7   48    9 o  525.962   39.621   7.6940   1.0303   7.8527   1.3034   7.4296   1.6823  538.643   47.066  513.282   63.749 25.36127 79.24155 
1 1 1    7   48   11 o  848.960   41.705   20.255   1.8032   21.591   2.4528   18.684   2.6600  885.186   53.896  812.734   63.660 72.45172 83.41071 
1 1 1    7   48   13 o  1125.59   49.871   36.017   2.3238   37.810   5.0720   35.541   2.6143  1104.14   89.348  1147.04   44.331 -42.89624 99.74125 
1 1 1    7   48   15 o  163.273   44.385   0.5862   0.4669   0.5522   0.9799   0.5961   0.5310  173.435   70.389  153.111   54.089 20.32483 88.77070 
1 1 1    7   48   17 o  328.934   49.050   3.0539   0.8160   2.1301   1.0466   4.4860   1.3031  262.917   74.196  394.951   64.176 -132.0340 98.09972 
1 1 1    7   48   19 o  762.869   38.075   16.384   1.4696   13.200   2.0654   19.650   2.0915  681.059   58.986  844.679   48.161 -163.6198 76.15016 
1 1 1    7   48   21 o  217.505   43.110   1.3984   0.4976   1.5160   0.7611   1.3106   0.6576  224.514   63.239  210.495   58.607 14.01903 86.22005 
1 1 1    7   48   23 o  549.028   39.063   8.6238   1.0787   10.745   1.5517   6.6399   1.5007  620.783   48.617  477.273   61.157 143.5105 78.12690 
1 1 1    7   48   25 o  310.403   43.274   2.8792   0.6766   3.2781   0.9654   2.4940   0.9486  337.209   55.683  283.598   66.258 53.61185 86.54890 
1 1 1    7   48   27 o  301.119   42.242   2.7658   0.6376   2.0095   0.9024   3.5197   0.9011  250.633   68.211  351.606   49.847 -100.9739 84.48392 
1 1 1    7   49    0 o  226.464   70.030   2.0995   0.8952   1.5726   1.3399   2.5244   1.2032  191.594  101.423  261.334   96.594 0.000000 0.000000 
1 1 1    7   49    2 o  240.731   45.646   1.6772   0.5944   2.2748   0.8634   1.1387   0.8196  280.068   61.635  201.393   67.345 78.67470 91.29182 
1 1 1    7   49    4 o  465.556   41.599   6.0625   0.9918   5.4862   1.4008   6.6418   1.4045  441.467   61.720  489.645   55.790 -48.17847 83.19753 
1 1 1    7   49    6 o  332.465   56.319   3.3836   0.8864   3.3754   1.0491   3.4039   1.6574  342.188   61.910  322.741   94.099 19.44708 112.6386 
1 1 1    7   49    8 o  130.990   40.293   0.0000   0.4973   0.0000   0.6399   0.0000   0.7904  124.685   54.039  137.295   59.782 -12.60999 80.58635 
1 1 1    7   49   10 o  539.550   47.006   7.9287   1.3039   0.0000   0.0000   7.9287   1.3039  ?   ?   539.550   47.006      ?      ? 
1 1 1    7   49   12 o  171.176   47.034   0.6419   0.6112   0.0000   1.0714   0.9515   0.7441  156.419   68.814  185.932   64.137 -29.51308 94.06870 
1 1 1    7   49   14 o  277.529   44.814   2.1422   0.6815   0.9846   0.8988   3.7082   1.0454  191.589   70.025  363.468   55.944 -171.8789 89.62843 
1 1 1    7   49   16 o  304.987   44.216   2.7506   0.6698   2.7268   0.9616   2.7731   0.9334  302.898   63.767  307.075   61.268 -4.176941 88.43117 
1 1 1    7   49   18 o  239.303   39.637   1.6906   0.4808   1.8985   0.6649   1.4628   0.6960  256.780   52.147  221.827   59.709 34.95288 79.27470 
1 1 1    7   49   20 o  395.899   42.833   4.6132   0.8318   3.6086   1.1673   5.6494   1.1855  343.470   68.508  448.327   51.434 -104.8564 85.66651 
1 1 1    7   49   22 o  356.371   41.995   3.7373   0.7527   3.6244   1.0746   3.8461   1.0546  347.289   62.481  365.453   56.130 -18.16415 83.99083 
1 1 1    7   49   24 o  327.016   43.367   3.1869   0.7032   4.4806   1.0486   2.1292   0.9481  396.201   51.476  257.831   69.807 138.3695 86.73415 
1 1 1    7   49   26 o  523.262   44.007   8.0796   1.1612   7.2419   1.4789   9.4260   1.8750  493.689   58.267  552.835   65.967 -59.14621 88.01488 
1 1 1    7   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    7 f  465.072   72.815   6.4018   1.7411   0.0000   0.0000   6.4018   1.7411  ?   ?   465.072   72.815      ?      ? 
1 1 1    7   50    9 o  348.314   78.879   3.7879   1.3797   0.0000   0.0000   3.7879   1.3797  ?   ?   348.314   78.879      ?      ? 
1 1 1    7   50   11 o  614.453   46.049   11.144   1.4053   11.991   1.8283   9.9218   2.1968  654.152   54.361  574.754   74.342 79.39777 92.09742 
1 1 1    7   50   13 o  229.377   41.785   1.5007   0.4983   2.0266   0.7722   1.1254   0.6523  262.517   58.691  196.237   59.491 66.28036 83.56928 
1 1 1    7   50   15 o  582.981   33.406   9.4391   0.9945   8.5554   1.4370   10.251   1.3778  553.784   50.473  612.177   43.776 -58.39349 66.81225 
1 1 1    7   50   17 o  536.967   34.553   8.0259   0.9346   10.157   1.3637   6.1388   1.2833  608.409   43.596  465.524   53.620 142.8843 69.10693 
1 1 1    7   50   19 o  274.159   39.293   2.1924   0.5439   2.8277   0.7895   1.6185   0.7504  317.898   48.308  230.421   61.985 87.47711 78.58601 
1 1 1    7   50   21 o  450.639   43.766   6.1686   0.9378   4.2672   1.3273   8.0639   1.3252  365.998   73.098  535.281   48.153 -169.2828 87.53296 
1 1 1    7   50   23 o  351.063   43.663   3.7379   0.7667   3.2836   1.0733   4.2114   1.0957  323.176   66.806  378.950   56.240 -55.77408 87.32666 
1 1 1    7   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51    4 o  128.887   56.180   0.0000   0.6996   0.0000   0.6996   0.0000   0.0000  128.887   56.180  ?   ?       ?      ? 
1 1 1    7   51    6 o  250.108   88.567   2.0045   1.4246   2.0045   1.4246   0.0000   0.0000  250.108   88.567  ?   ?       ?      ? 
1 1 1    7   51    8 o  151.018   38.171   0.5002   0.4135   0.0000   0.5994   0.9541   0.5711  119.935   52.142  182.101   55.760 -62.16599 76.34113 
1 1 1    7   51   10 o  463.246   41.452   6.1539   0.9852   5.9817   1.4235   6.3123   1.3650  455.199   60.825  471.292   56.334 -16.09305 82.90479 
1 1 1    7   51   12 o  291.127   43.998   2.7339   0.6358   1.7155   1.0387   3.3442   0.8041  233.502   75.710  348.752   44.846 -115.2499 87.99561 
1 1 1    7   51   14 o  477.251   39.630   6.7197   0.9232   5.6172   1.4665   7.4433   1.1881  434.724   65.616  519.777   44.460 -85.05252 79.25983 
1 1 1    7   51   16 o  334.986   40.933   3.2756   0.6868   3.3940   1.0267   3.1797   0.9241  336.367   61.638  333.605   53.878 2.762451 81.86626 
1 1 1    7   51   18 o  404.043   37.728   4.6427   0.7734   4.9577   1.2075   4.4236   1.0071  412.644   56.918  395.441   49.538 17.20270 75.45638 
1 1 1    7   51   20 o  231.129   43.842   1.6222   0.5254   1.9358   0.8272   1.4100   0.6803  248.180   64.305  214.078   59.611 34.10246 87.68447 
1 1 1    7   52    1 o  349.527   48.672   3.8142   0.8504   2.3617   1.2131   5.2176   1.1924  269.251   81.018  429.804   53.962 -160.5527 97.34357 
1 1 1    7   52    3 o  430.134   43.160   5.3605   0.9541   5.1796   1.3425   5.5451   1.3562  422.147   61.857  438.121   60.208 -15.97339 86.32080 
1 1 1    7   52    5 o  408.455   55.544   4.5552   1.0832   3.1891   1.2879   7.8563   2.0021  313.849   79.677  503.061   77.410 -189.2129 111.0890 
1 1 1    7   52    7 o  558.627   55.290   9.4677   1.4644   9.0034   1.7559   10.528   2.6537  555.818   61.446  561.436   91.936 -5.617798 110.5794 
1 1 1    7   52    9 o  183.535   47.576   0.9293   0.6306   1.3231   0.7525   0.0000   1.1558  209.000   64.008  158.070   70.404 50.93042 95.15116 
1 1 1    7   52   11 o  378.026   43.767   3.9995   0.8098   3.1510   1.0142   5.4915   1.3449  322.792   63.377  433.260   60.377 -110.4680 87.53328 
1 1 1    7   52   13 o  256.959   45.258   2.1480   0.6333   2.6827   0.8085   1.2990   1.0188  307.511   51.136  206.408   74.687 101.1033 90.51564 
1 1 1    7   52   15 o  488.262   42.114   6.6632   1.0146   5.7651   1.2423   8.4629   1.7585  447.066   54.047  529.457   64.601 -82.39117 84.22832 
1 1 1    7   52   17 o  364.433   47.587   4.2470   0.8095   4.5092   0.9992   3.7462   1.3809  398.264   48.801  330.602   81.711 67.66196 95.17496 
1 1 1    7   53    0 o  445.732   76.462   6.7619   1.5150   6.9571   2.2296   6.5944   2.0650  448.547  111.737  442.918  104.407 0.000000 0.000000 
1 1 1    7   53    2 o  361.266   46.954   3.9639   0.8511   3.6523   1.2144   4.2648   1.1932  341.223   71.512  381.309   60.866 -40.08585 93.90755 
1 1 1    7   53    4 o  394.315   46.738   4.7165   0.9152   3.9673   1.2869   5.4831   1.3017  354.329   73.069  434.300   58.297 -79.97040 93.47519 
1 1 1    7   53    6 f  268.628   48.480   2.2848   0.6795   1.8809   0.9712   2.6721   0.9511  242.121   72.411  295.135   64.481 -53.01361 96.95935 
1 1 1    7   53    8 o  385.796   49.026   4.9904   0.9274   2.0434   1.3276   7.7992   1.2961  244.533   85.594  527.058   47.832 -282.5250 98.05177 
1 1 1    7   53   10 o  353.596   41.897   3.7037   0.7371   3.6390   0.9764   3.7894   1.1241  355.699   53.389  351.493   64.583 4.205505 83.79366 
1 1 1    7   53   12 o  609.500   34.666   10.534   1.0847   11.317   1.5618   9.8041   1.5077  632.516   48.028  586.483   50.003 46.03326 69.33218 
1 1 1    7   53   14 o  568.492   34.725   9.2180   1.0050   10.837   1.4497   7.7198   1.3944  620.624   45.435  516.360   52.526 104.2642 69.45021 
1 1 1    7   54    1 o  355.926   48.532   4.0411   0.8604   2.4627   1.2034   5.6917   1.2306  268.108   80.697  443.744   53.940 -175.6354 97.06478 
1 1 1    7   54    3 o  384.250   49.060   4.6593   0.9303   3.5363   1.3111   5.7980   1.3202  324.510   79.263  443.990   57.834 -119.4804 98.11940 
1 1 1    7   54    5 o  341.163   47.711   3.6290   0.8176   4.9474   1.1975   2.4777   1.1190  410.741   56.707  271.585   76.743 139.1559 95.42104 
1 1 1    7   54    7 o  249.580   51.456   2.0202   0.7010   2.4592   1.0619   1.6812   0.9332  272.282   73.944  226.877   71.576 45.40527 102.9116 
1 1 1    7   54    9 o  223.372   48.396   1.6258   0.6204   1.2958   0.9106   1.9117   0.8475  202.212   70.881  244.532   65.914 -42.31998 96.79242 
1 1 1    8    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    0    2 o   88.270   34.631   0.2421   0.2418   0.0920   0.3334   0.4088   0.3513   72.517   44.935  104.023   52.706 -0.000000 0.000000 
1 1 1    8    0    4 o  193.548   49.954   1.2683   0.4677   1.6043   0.6993   0.9963   0.6292  222.892   69.587  164.205   71.688 0.000000 0.000000 
1 1 1    8    0    6 o  2338.61   37.930  141.093   4.5542  137.665   6.3701  144.677   6.5134  2309.51   53.714  2367.72   53.568 -0.000000 0.000000 
1 1 1    8    0    8 o  229.387   47.404   1.6819   0.4964   2.0887   0.7091   1.2910   0.6951  267.382   58.963  191.393   74.243 -0.000000 0.000000 
1 1 1    8    0   10 o  2615.52   53.437  176.541   7.1789  176.541   7.1789   0.0000   0.0000  2615.52   53.437  2615.52   53.437 0.000000 0.000000 
1 1 1    8    0   12 o  243.710   69.426   1.8604   0.7538   1.8604   0.7538   0.0000   0.0000  243.710   69.426  243.710   69.426 -0.000000 0.000000 
1 1 1    8    0   14 o  906.434   39.224   21.436   1.8120   21.000   2.5492   21.882   2.5761  896.935   55.776  915.933   55.165 0.000000 0.000000 
1 1 1    8    0   16 o  352.622   47.629   3.5952   0.7476   4.4357   1.0637   2.7748   1.0509  404.139   53.873  301.105   78.561 -0.000000 0.000000 
1 1 1    8    0   18 o   66.876   27.776   0.1183   0.1693   0.2073   0.2241   0.0000   0.2583   75.562   41.012   58.190   37.471 0.000000 0.000000 
1 1 1    8    0   20 o  1006.39   39.651   26.400   2.0354   27.778   2.8979   25.059   2.8593  1032.83   54.930  979.962   57.198 -0.000000 0.000000 
1 1 1    8    0   22 o  2129.59   55.417  117.220   6.0582  117.220   6.0582   0.0000   0.0000  2129.59   55.417  2129.59   55.417 0.000000 0.000000 
1 1 1    8    0   24 o  833.154   57.514   18.153   2.4366   18.153   2.4366   0.0000   0.0000  833.154   57.514  833.154   57.514 -0.000000 0.000000 
1 1 1    8    0   26 o  134.463   45.898   0.6835   0.3702   0.7517   0.5278   0.6173   0.5196  141.292   65.586  127.634   64.227 0.000000 0.000000 
1 1 1    8    0   28 o  618.775   42.136   10.196   1.2992   11.363   1.8282   9.0061   1.8467  657.056   55.005  580.493   63.846 0.000000 0.000000 
1 1 1    8    0   30 o  1850.19   56.550   88.566   5.3679   88.566   5.3679   0.0000   0.0000  1850.19   56.550  1850.19   56.550 0.000000 0.000000 
1 1 1    8    0   32 o  1331.81   56.900   46.040   3.8799   0.0000   0.0000   46.040   3.8799  1331.81   56.900  1331.81   56.900 -0.000000 0.000000 
1 1 1    8    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    0   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    0   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    0   40 o  733.156   41.704   14.039   1.5603   0.0000   0.0000   14.039   1.5603  733.156   41.704  733.156   41.704 -0.000000 0.000000 
1 1 1    8    0   42 o  355.407   74.632   3.7106   1.2009   0.0000   0.0000   3.7106   1.2009  355.407   74.632  355.407   74.632 -0.000000 0.000000 
1 1 1    8    0   44 o  144.153   72.455   0.8094   0.6608   0.0000   0.0000   0.8094   0.6608  144.153   72.455  144.153   72.455 -0.000000 0.000000 
1 1 1    8    0   46 o  533.823   43.892   7.5714   1.1859   7.5714   1.1859   0.0000   0.0000  533.823   43.892  533.823   43.892 0.000000 0.000000 
1 1 1    8    0   48 o  525.690   44.039   7.3659   1.1710   7.3659   1.1710   0.0000   0.0000  525.690   44.039  525.690   44.039 0.000000 0.000000 
1 1 1    8    0   50 o   98.952   54.288   0.3640   0.3970   0.0000   0.0000   0.3640   0.3970   98.952   54.288   98.952   54.288 -0.000000 0.000000 
1 1 1    8    0   52 o  125.899   67.692   0.6194   0.6052   0.6194   0.6052   0.0000   0.0000  125.899   67.692  125.899   67.692 0.000000 0.000000 
1 1 1    8    0   54 o  128.863   69.345   0.6602   0.6356   0.6602   0.6356   0.0000   0.0000  128.863   69.345  128.863   69.345 0.000000 0.000000 
1 1 1    8    0   56 o  268.581   58.919   2.1843   0.7122   2.1843   0.7122   0.0000   0.0000  268.581   58.919  268.581   58.919 0.000000 0.000000 
1 1 1    8    0   58 o  220.775   61.076   1.5812   0.5996   0.0000   0.0000   1.5812   0.5996  220.775   61.076  220.775   61.076 -0.000000 0.000000 
1 1 1    8    1    1 f  879.942   47.461   20.049   2.1471   20.277   3.0438   19.824   3.0291  884.929   66.901  874.955   67.339 9.973633 94.92216 
1 1 1    8    1    3 o  1185.19   30.975   36.251   1.8856   35.421   2.7078   37.032   2.6272  1171.92   44.942  1198.47   42.637 -26.55383 61.94962 
1 1 1    8    1    5 o  2307.51   27.566  137.304   3.2682  140.657   4.5800  133.824   4.6652  2336.36   38.129  2278.66   39.822 57.70068 55.13243 
1 1 1    8    1    7 o  1751.57   26.654   79.047   2.4001   78.297   3.3696   79.820   3.4195  1743.15   37.599  1759.99   37.790 -16.84729 53.30850 
1 1 1    8    1    9 o  683.399   33.106   12.189   1.0913   11.651   1.8852   12.461   1.3384  671.434   54.612  695.365   37.438 -23.93066 66.21203 
1 1 1    8    1   11 o  433.678   38.306   4.8486   0.8541   4.8486   0.8541   0.0000   0.0000  433.678   38.306  ?   ?       ?      ? 
1 1 1    8    1   13 o  537.143   27.202   7.4422   0.7512   7.3468   1.0618   7.5377   1.0628  533.688   38.698  540.599   38.238 -6.911499 54.40304 
1 1 1    8    1   15 o  1458.66   27.366   54.940   2.0521   53.905   2.8990   55.979   2.9051  1444.84   39.027  1472.47   38.374 -27.63660 54.73279 
1 1 1    8    1   17 o  1673.64   27.503   72.406   2.3664   71.641   3.3470   73.171   3.3462  1664.74   39.106  1682.53   38.683 -17.78809 55.00572 
1 1 1    8    1   19 o  1037.58   27.642   27.823   1.4745   28.073   2.0843   27.571   2.0862  1042.30   38.896  1032.87   39.286 9.420776 55.28432 
1 1 1    8    1   21 o  851.386   27.734   18.708   1.2140   18.665   1.7131   18.751   1.7205  850.411   39.182  852.361   39.262 -1.949646 55.46826 
1 1 1    8    1   23 o  2025.85   55.971  106.167   5.8296  106.167   5.8296   0.0000   0.0000  2025.85   55.971  ?   ?       ?      ? 
1 1 1    8    1   25 o  646.091   34.324   10.792   1.0781   10.822   1.3255   10.734   1.8530  647.871   39.794  644.311   55.937 3.560303 68.64767 
1 1 1    8    1   27 o  1247.45   34.172   39.899   2.0788   39.303   2.5534   41.071   3.5799  1234.58   40.228  1260.31   55.249 -25.73438 68.34324 
1 1 1    8    1   29 o  661.950   34.652   11.276   1.1145   11.181   1.3658   11.464   1.9280  658.357   40.351  665.543   56.346 -7.185791 69.30465 
1 1 1    8    1   31 o  541.308   40.746   7.6039   1.1325   7.2536   1.6151   7.9428   1.5883  528.888   59.398  553.728   55.792 -24.83984 81.49189 
1 1 1    8    1   33 o  1588.01   56.809   65.452   4.6381   0.0000   0.0000   65.452   4.6381  ?   ?   1588.01   56.809      ?      ? 
1 1 1    8    1   35 o  680.953   57.649   12.068   2.0183   0.0000   0.0000   12.068   2.0183  ?   ?   680.953   57.649      ?      ? 
1 1 1    8    1   37 o  721.626   35.380   13.389   1.2433   13.043   1.5215   14.082   2.1566  709.189   41.730  734.063   57.144 -24.87396 70.75951 
1 1 1    8    1   39 o  1311.65   41.171   44.718   2.7764   44.718   2.7764   0.0000   0.0000  1311.65   41.171  ?   ?       ?      ? 
1 1 1    8    1   41 o  740.003   41.759   14.281   1.5887   14.281   1.5887   0.0000   0.0000  740.003   41.759  ?   ?       ?      ? 
1 1 1    8    1   43 o  515.848   60.526   7.1035   1.6052   7.1035   1.6052   0.0000   0.0000  515.848   60.526  ?   ?       ?      ? 
1 1 1    8    1   45 o  990.748   43.208   26.506   2.1845   30.518   3.1247   22.669   3.0551  1067.26   56.947  914.237   64.998 153.0223 86.41607 
1 1 1    8    1   47 o  417.544   30.983   4.6129   0.6648   4.4437   0.9245   4.7941   0.9567  409.599   43.900  425.489   43.732 -15.89063 61.96511 
1 1 1    8    1   49 o  831.349   30.421   18.365   1.3002   18.445   1.8443   18.287   1.8334  833.113   43.058  829.585   42.986 3.528503 60.84263 
1 1 1    8    1   51 o  581.808   30.711   9.0544   0.9178   9.3456   1.2862   8.7525   1.3100  591.933   42.265  571.683   44.569 20.25049 61.42261 
1 1 1    8    1   53 o  310.013   44.476   3.3529   0.6645   4.3212   0.8060   1.2973   1.1743  402.364   38.960  217.663   79.966 184.7012 88.95244 
1 1 1    8    1   55 o  320.686   34.837   2.9230   0.5426   2.1661   0.7722   3.6613   0.7626  273.029   56.857  368.344   40.272 -95.31500 69.67458 
1 1 1    8    1   57 o  123.552   29.989   0.2984   0.2528   0.6913   0.3848   0.0000   0.3353  155.976   45.300   91.127   39.308 64.84912 59.97716 
1 1 1    8    2    0 o  591.284   70.234   9.3949   2.0557   9.3949   2.0557   0.0000   0.0000  591.284   70.234  591.284   70.234 0.000000 0.000000 
1 1 1    8    2    2 o  2445.37   32.626  154.212   4.1002  155.655   5.8922  152.857   5.7094  2456.36   46.657  2434.38   45.617 21.98413 65.25188 
1 1 1    8    2    4 o  2378.48   28.767  145.820   3.5177  146.363   4.9818  145.280   4.9678  2382.90   40.664  2374.06   40.700 8.839355 57.53341 
1 1 1    8    2    6 o  376.497   27.156   3.6462   0.5248   3.3571   0.7268   3.9611   0.7585  360.914   39.168  392.080   37.627 -31.16656 54.31292 
1 1 1    8    2    8 o  1546.52   26.751   61.631   2.1269   60.690   2.9952   62.589   3.0208  1534.59   37.963  1558.45   37.701 -23.85706 53.50286 
1 1 1    8    2   10 o  3331.76   33.728  290.604   5.3846  298.112   6.5703  275.246   9.3969  3400.91   37.577  3262.62   56.021 138.2959 67.45615 
1 1 1    8    2   12 o  1469.27   38.201   55.840   2.8854   55.697   4.1053   55.979   4.0563  1467.35   54.418  1471.19   53.628 -3.843872 76.40201 
1 1 1    8    2   14 o  1217.51   27.227   38.254   1.7042   38.794   2.4102   37.714   2.4099  1226.13   38.234  1208.89   38.774 17.24304 54.45420 
1 1 1    8    2   16 o  822.098   27.521   17.475   1.1617   16.407   1.6393   18.553   1.6465  796.718   40.019  847.478   37.789 -50.76013 55.04181 
1 1 1    8    2   18 o  561.997   27.695   8.1678   0.7995   8.5751   1.1337   7.7647   1.1278  576.013   38.282  547.982   40.030 28.03070 55.38922 
1 1 1    8    2   20 o  1419.31   35.233   54.170   2.3802   58.076   2.9284   46.567   4.0857  1499.80   37.977  1338.82   59.357 160.9822 70.46680 
1 1 1    8    2   22 o  1439.26   55.736   53.616   4.1242   53.616   4.1242   0.0000   0.0000  1439.26   55.736  ?   ?       ?      ? 
1 1 1    8    2   24 o  761.780   39.563   15.002   1.5492   15.349   2.2110   14.667   2.1715  770.447   55.818  753.113   56.082 17.33423 79.12533 
1 1 1    8    2   26 o  3126.55   39.735  253.190   6.3735  235.099   9.0404  271.068   8.9868  3014.61   58.329  3238.49   53.975 -223.8777 79.47097 
1 1 1    8    2   28 o  836.135   40.191   18.111   1.7168   20.812   2.4627   15.557   2.3945  897.185   53.391  775.086   60.088 122.0997 80.38158 
1 1 1    8    2   30 o  1199.65   40.170   37.329   2.4727   34.810   3.5083   39.816   3.4857  1159.04   58.875  1240.26   54.665 -81.22729 80.34048 
1 1 1    8    2   32 o  1473.77   34.104   54.840   2.4654   51.930   3.0238   60.610   4.2580  1418.04   41.475  1529.50   54.148 -111.4587 68.20709 
1 1 1    8    2   34 o  633.109   40.909   10.359   1.3316   10.359   1.3316   0.0000   0.0000  633.109   40.909  ?   ?       ?      ? 
1 1 1    8    2   36 o  543.232   35.105   7.5605   0.9314   7.3322   1.1423   8.0136   1.6088  532.022   41.761  554.443   56.440 -22.42090 70.21039 
1 1 1    8    2   38 o  822.857   36.295   18.079   1.4320   18.885   1.7591   16.495   2.4655  853.108   40.106  792.606   60.504 60.50226 72.58903 
1 1 1    8    2   40 o  888.055   35.010   20.201   1.5226   19.249   1.8670   22.091   2.6311  859.658   42.242  916.452   55.842 -56.79327 70.01940 
1 1 1    8    2   42 o  1361.54   58.926   49.211   4.1249   49.211   4.1249   0.0000   0.0000  1361.54   58.926  ?   ?       ?      ? 
1 1 1    8    2   44 o  387.873   58.945   4.0257   1.1755   4.0257   1.1755   0.0000   0.0000  387.873   58.945  ?   ?       ?      ? 
1 1 1    8    2   46 o  959.524   43.017   24.962   2.1177   26.709   2.9941   23.213   2.9958  994.965   58.531  924.082   63.056 70.88269 86.03484 
1 1 1    8    2   48 o  254.902   34.801   1.8064   0.4418   1.2836   0.6289   2.3156   0.6207  213.851   56.395  295.953   40.792 -82.10194 69.60225 
1 1 1    8    2   50 f  420.978   31.846   4.7658   0.6778   5.8099   0.9688   3.7646   0.9487  468.058   40.259  373.898   49.354 94.16031 63.69110 
1 1 1    8    2   52 o  451.435   45.304   5.7389   1.0500   5.5954   1.5102   5.8732   1.4610  444.746   66.046  458.124   62.029 -13.37753 90.60731 
1 1 1    8    2   54 f  205.812   42.166   1.1942   0.4466   1.3178   0.8082   1.1399   0.5358  212.061   66.569  199.563   51.774 12.49823 84.33234 
1 1 1    8    2   56 o  296.275   37.432   2.5557   0.5390   1.3691   0.7398   3.8982   0.7869  213.502   63.043  379.047   40.377 -165.5447 74.86464 
1 1 1    8    2   58 o  173.838   35.092   0.8600   0.3439   0.5287   0.4731   1.2315   0.5009  142.248   50.967  205.427   48.251 -63.17934 70.18383 
1 1 1    8    3    1 o  1219.82   41.453   38.819   2.4248   37.468   4.2464   39.472   2.9536  1202.66   68.677  1236.98   46.443 -34.31775 82.90625 
1 1 1    8    3    3 o  1415.51   29.980   51.677   2.1781   51.334   3.1687   51.985   2.9989  1410.92   43.682  1420.10   41.075 -9.175049 59.96059 
1 1 1    8    3    5 o  1855.98   28.006   88.802   2.6693   89.223   3.6916   88.340   3.8641  1860.72   38.589  1851.25   40.599 9.472656 56.01265 
1 1 1    8    3    7 o  1625.69   33.160   68.257   2.6407   67.991   4.4691   68.400   3.2732  1622.32   53.581  1629.07   39.081 -6.747925 66.31924 
1 1 1    8    3    9 o  214.806   38.942   1.2357   0.4342   1.0577   0.6090   1.4198   0.6193  199.757   56.675  229.855   53.422 -30.09843 77.88450 
1 1 1    8    3   11 f  1156.83   27.009   34.517   1.6053   33.030   2.2694   36.007   2.2711  1131.81   39.000  1181.85   37.377 -50.03772 54.01899 
1 1 1    8    3   13 o  531.614   32.623   7.0936   0.8494   7.9782   1.4768   6.6562   1.0384  555.330   51.726  507.898   39.767 47.43231 65.24583 
1 1 1    8    3   15 o  713.678   32.198   12.647   1.1336   11.434   1.3910   15.047   1.9564  665.227   40.670  762.129   49.929 -96.90179 64.39674 
1 1 1    8    3   17 o  1276.08   33.091   41.530   2.0659   40.096   2.5358   44.360   3.5625  1245.31   39.606  1306.85   53.022 -61.54688 66.18122 
1 1 1    8    3   19 o  1079.72   33.069   29.501   1.7523   27.995   2.1514   32.470   3.0203  1040.73   40.208  1118.70   52.513 -77.96948 66.13864 
1 1 1    8    3   21 o  861.223   55.330   19.212   2.4499   0.0000   0.0000   19.212   2.4499  ?   ?   861.223   55.330      ?      ? 
1 1 1    8    3   23 f  228.101   58.792   1.3974   0.6938   1.3974   0.6938   0.0000   0.0000  228.101   58.792  ?   ?       ?      ? 
1 1 1    8    3   25 o  2237.59   39.489  129.440   4.5427  130.911   6.4532  127.995   6.3958  2250.21   55.780  2224.97   55.912 25.23608 78.97819 
1 1 1    8    3   27 f  911.049   39.933   21.485   1.8643   23.746   2.6606   19.305   2.6131  958.408   53.995  863.690   58.847 94.71869 79.86504 
1 1 1    8    3   29 o  620.396   30.850   9.2520   0.8781   8.5122   1.0140   11.470   1.7559  574.706   34.319  666.086   51.275 -91.38049 61.70054 
1 1 1    8    3   31 o  1753.28   33.122   80.734   2.5789   82.048   2.9876   76.895   5.1080  1784.18   32.570  1722.37   57.684 61.80237 66.24345 
1 1 1    8    3   33 o  555.844   57.104   8.0205   1.6319   8.0205   1.6319   0.0000   0.0000  555.844   57.104  ?   ?       ?      ? 
1 1 1    8    3   35 o  828.983   33.965   16.971   1.3872   15.073   1.6962   20.806   2.4106  763.009   43.240  894.956   52.390 -131.9473 67.92953 
1 1 1    8    3   37 o  417.850   35.911   4.4651   0.7255   4.3109   0.8797   4.7928   1.2826  407.654   41.975  428.045   58.280 -20.39124 71.82208 
1 1 1    8    3   39 o  473.383   42.071   6.5737   0.8791   7.7912   1.0950   4.3666   1.4744  547.781   38.882  398.984   74.619 148.7967 84.14112 
1 1 1    8    3   41 o  610.773   36.782   10.094   1.0782   10.697   1.3326   8.9498   1.8348  640.674   40.457  580.871   61.440 59.80273 73.56374 
1 1 1    8    3   43 o  806.593   42.360   17.377   1.7545   16.456   2.4859   18.291   2.4765  784.408   61.641  828.779   58.121 -44.37085 84.72099 
1 1 1    8    3   45 o  154.268   38.114   0.5398   0.3859   0.8220   0.5501   0.2663   0.5416  175.539   54.890  132.996   52.894 42.54291 76.22781 
1 1 1    8    3   47 o  450.266   43.873   5.3710   1.0156   5.3710   1.0156   0.0000   0.0000  450.266   43.873  ?   ?       ?      ? 
1 1 1    8    3   49 o  552.730   39.082   8.6444   1.0228   9.3840   1.2637   7.2398   1.7415  594.959   41.314  510.500   66.352 84.45889 78.16312 
1 1 1    8    3   51 o  1143.59   30.430   34.942   1.7877   33.201   2.5162   36.717   2.5403  1113.91   43.936  1173.27   42.112 -59.36194 60.85929 
1 1 1    8    3   53 o  284.086   44.953   2.4593   0.6101   2.6780   0.7303   1.9543   1.1099  314.704   45.137  253.468   77.755 61.23624 89.90638 
1 1 1    8    3   55 o  395.231   33.051   4.2859   0.6599   3.3419   0.9096   5.3351   0.9589  346.867   51.006  443.596   42.047 -96.72894 66.10298 
1 1 1    8    3   57 o  468.158   32.461   6.0820   0.7778   5.3784   1.0839   6.8288   1.1167  438.583   48.068  497.733   43.639 -59.14935 64.92235 
1 1 1    8    4    0 o  3327.34   66.713  285.981   11.402  285.981   11.402   0.0000   0.0000  3327.34   66.713  3327.34   66.713 0.000000 0.000000 
1 1 1    8    4    2 o  826.660   31.210   17.586   1.3180   17.941   1.9879   17.309   1.7605  833.934   46.366  819.385   41.791 14.54907 62.42006 
1 1 1    8    4    4 o  1118.99   28.825   32.305   1.6563   32.969   2.3021   31.592   2.3850  1131.01   39.590  1106.97   41.906 24.04053 57.64968 
1 1 1    8    4    6 o  2543.45   33.496  166.901   4.2095  167.049   6.9974  166.818   5.2697  2542.99   53.521  2543.90   40.292 -0.9145508 66.99186 
1 1 1    8    4    8 o  1667.69   33.317   71.974   2.6736   72.340   3.2564   71.217   4.6830  1675.39   37.805  1660.00   54.872 15.38599 66.63449 
1 1 1    8    4   10 o  1557.91   27.069   62.566   2.1679   61.373   3.0557   63.776   3.0762  1542.92   38.521  1572.89   38.041 -29.97278 54.13826 
1 1 1    8    4   12 o  847.723   33.714   18.996   1.3756   19.877   1.6952   17.299   2.3537  877.964   37.556  817.481   56.002 60.48309 67.42870 
1 1 1    8    4   14 o  725.954   33.128   13.582   1.1727   13.477   1.4428   13.785   2.0129  722.552   38.838  729.356   53.680 -6.803223 66.25677 
1 1 1    8    4   16 o  1351.21   38.583   47.462   2.6784   45.701   3.8033   49.194   3.7727  1326.02   55.788  1376.41   53.313 -50.39185 77.16586 
1 1 1    8    4   18 o  888.666   38.875   20.525   1.7758   20.112   2.5156   20.935   2.5072  879.646   55.624  897.687   54.325 -18.04132 77.75074 
1 1 1    8    4   20 o  379.431   42.738   3.8822   0.7873   2.7445   1.1133   5.0202   1.1134  318.470   69.913  440.391   49.176 -121.9206 85.47527 
1 1 1    8    4   22 o  1365.97   55.749   48.283   3.9151   48.283   3.9151   0.0000   0.0000  1365.97   55.749  ?   ?       ?      ? 
1 1 1    8    4   24 o  1149.12   33.545   33.336   1.8904   31.706   2.3197   36.558   3.2619  1108.86   40.689  1189.38   53.344 -80.51758 67.09070 
1 1 1    8    4   26 o  2139.66   32.097  117.470   3.0794  116.773   3.5642  119.522   6.1156  2129.21   32.559  2150.10   55.324 -20.89209 64.19346 
1 1 1    8    4   28 o  650.641   33.109   11.126   0.9552   11.323   1.1061   10.546   1.8943  662.973   32.450  638.308   57.723 24.66589 66.21866 
1 1 1    8    4   30 o  1006.78   33.410   26.793   1.4890   27.407   1.7254   25.004   2.9473  1031.26   32.543  982.305   58.359 48.95416 66.81949 
1 1 1    8    4   32 o  1140.13   40.286   33.751   2.3573   31.429   3.3317   36.077   3.3356  1100.49   58.886  1179.77   54.993 -79.27893 80.57175 
1 1 1    8    4   34 o  1119.38   34.585   34.031   1.6893   35.597   1.9576   29.465   3.3428  1174.72   32.414  1064.05   61.105 110.6671 69.16950 
1 1 1    8    4   36 o  839.738   32.206   17.565   1.2209   16.816   1.4069   19.850   2.4570  806.681   33.924  872.795   54.755 -66.11456 64.41227 
1 1 1    8    4   38 o  579.503   34.386   8.9649   0.8827   9.1841   1.0243   8.3323   1.7402  595.730   33.443  563.276   60.092 32.45422 68.77116 
1 1 1    8    4   40 o  1427.90   35.337   52.819   2.4563   51.610   3.0078   55.241   4.2558  1407.73   41.559  1448.08   57.163 -40.34619 70.67373 
1 1 1    8    4   42 f  1111.58   42.049   32.945   2.3871   28.591   3.3635   37.363   3.3884  1034.97   63.212  1188.19   55.468 -153.2188 84.09738 
1 1 1    8    4   44 o  515.287   42.135   6.9708   1.1163   6.9708   1.1163   0.0000   0.0000  515.287   42.135  ?   ?       ?      ? 
1 1 1    8    4   46 o  780.266   36.495   16.128   1.3841   15.850   1.6962   16.680   2.3945  775.000   42.571  785.532   59.289 -10.53174 72.98949 
1 1 1    8    4   48 o  432.518   38.174   5.0208   0.8032   4.9579   0.9868   5.1443   1.3825  431.864   44.444  433.172   62.079 -1.308167 76.34799 
1 1 1    8    4   50 o  389.624   44.932   4.0578   0.9001   4.0578   0.9001   0.0000   0.0000  389.624   44.932  ?   ?       ?      ? 
1 1 1    8    4   52 o  102.774   44.186   0.0000   0.4210   0.0000   0.4210   0.0000   0.0000  102.774   44.186  ?   ?       ?      ? 
1 1 1    8    4   54 o  373.595   49.707   4.1335   0.9331   4.6363   1.3382   3.6578   1.3017  401.509   64.827  345.681   75.369 55.82834 99.41372 
1 1 1    8    4   56 f  311.990   36.513   2.8020   0.5610   2.3298   0.8171   3.2233   0.7717  281.011   58.458  342.968   43.766 -61.95718 73.02656 
1 1 1    8    4   58 o  429.743   33.490   5.2031   0.7365   4.6179   1.0304   5.8144   1.0531  403.110   49.717  456.375   44.882 -53.26578 66.97934 
1 1 1    8    5    1 o  1608.52   47.716   67.014   3.9459   66.940   5.5988   67.086   5.5622  1607.60   67.740  1609.44   67.220 -1.842529 95.43195 
1 1 1    8    5    3 o  732.408   44.096   14.217   1.5843   15.146   2.0033   12.665   2.5885  765.934   50.872  698.882   72.040 67.05243 88.19144 
1 1 1    8    5    5 o  2251.61   41.916  131.386   4.7669  132.649   6.2053  129.567   7.4458  2266.13   53.261  2237.08   64.738 29.04834 83.83151 
1 1 1    8    5    7 o  2920.68   38.697  219.866   5.8107  219.866   5.8107   0.0000   0.0000  2920.68   38.697  ?   ?       ?      ? 
1 1 1    8    5    9 o  316.327   37.006   2.7636   0.5309   2.9784   0.6435   2.3054   0.9396  339.950   36.817  292.703   64.205 47.24707 74.01240 
1 1 1    8    5   11 o  265.533   39.395   1.8709   0.5311   1.4657   0.7466   2.2861   0.7557  233.630   61.366  297.436   49.417 -63.80615 78.78992 
1 1 1    8    5   13 o  1276.12   38.164   42.175   2.5038   42.241   3.5572   42.110   3.5248  1277.08   54.178  1275.17   53.765 1.912231 76.32792 
1 1 1    8    5   15 o  120.618   28.868   0.3359   0.2025   0.3087   0.2458   0.3933   0.3571  111.946   36.854  129.289   44.443 -17.34341 57.73536 
1 1 1    8    5   17 o  560.437   35.994   8.6813   0.9460   9.7146   1.1689   6.7195   1.6106  613.179   37.079  507.694   61.705 105.4854 71.98813 
1 1 1    8    5   19 o  288.815   37.091   2.5016   0.4485   2.7906   0.5203   1.6651   0.8851  328.990   30.759  248.640   67.504 80.35010 74.18149 
1 1 1    8    5   21 o  2770.32   39.394  198.004   5.6109  198.004   5.6109   0.0000   0.0000  2770.32   39.394  ?   ?       ?      ? 
1 1 1    8    5   23 o  1957.99   31.818   98.413   2.7945   97.866   3.2353  100.019   5.5451  1949.20   32.284  1966.79   54.839 -17.58081 63.63603 
1 1 1    8    5   25 o  2421.72   34.510  152.856   4.0483  155.826   4.9814  147.079   6.9476  2458.54   39.410  2384.90   56.663 73.63794 69.02020 
1 1 1    8    5   27 o  1164.97   32.153   34.774   1.6779   34.511   1.9403   35.553   3.3412  1157.46   32.605  1172.48   55.428 -15.02612 64.30655 
1 1 1    8    5   29 o  2904.74   32.656  219.267   4.2222  220.634   4.8838  215.222   8.4011  2926.24   32.462  2883.25   56.674 42.98462 65.31265 
1 1 1    8    5   31 o  695.838   31.610   11.913   0.9989   11.290   1.1524   13.795   2.0032  661.758   33.870  729.917   53.381 -68.15894 63.21962 
1 1 1    8    5   33 o  542.755   40.974   7.6118   1.1434   7.6118   1.1434   0.0000   0.0000  542.755   40.974  ?   ?       ?      ? 
1 1 1    8    5   35 o  747.842   36.782   15.149   1.3104   16.407   1.6196   12.762   2.2298  796.433   39.553  699.251   62.025 97.18219 73.56305 
1 1 1    8    5   37 o  910.304   32.207   20.567   1.3280   19.561   1.5312   23.621   2.6675  869.581   34.249  951.027   54.555 -81.44568 64.41488 
1 1 1    8    5   39 o  238.921   36.818   1.5731   0.4001   1.6363   0.4656   1.3945   0.7822  251.183   36.053  226.658   64.205 24.52518 73.63504 
1 1 1    8    5   41 o  390.231   38.566   4.2764   0.6337   4.4901   0.7358   3.6629   1.2467  415.807   34.419  364.656   69.026 51.15115 77.13128 
1 1 1    8    5   43 o  789.386   59.797   16.642   2.4268   16.642   2.4268   0.0000   0.0000  789.386   59.797  ?   ?       ?      ? 
1 1 1    8    5   45 o  699.667   42.994   13.246   1.5334   11.239   2.1498   15.325   2.1878  643.172   65.015  756.162   56.275 -112.9904 85.98712 
1 1 1    8    5   47 o  865.159   35.597   19.126   1.5086   17.242   1.8356   23.049   2.6483  806.310   44.280  924.009   55.748 -117.6993 71.19366 
1 1 1    8    5   49 o  140.030   34.530   0.4861   0.3066   0.5905   0.3807   0.2934   0.5172  148.304   45.546  131.755   51.912 16.54890 69.05975 
1 1 1    8    5   51 f  610.116   37.578   10.068   1.1111   9.9017   1.3594   10.402   1.9288  608.388   43.460  611.843   61.316 -3.455261 75.15616 
1 1 1    8    5   53 o  258.853   43.122   2.0586   0.5803   2.5138   0.7356   1.3086   0.9443  304.119   47.047  213.588   72.280 90.53139 86.24301 
1 1 1    8    5   55 o  485.331   39.747   6.5054   0.9339   6.2087   1.1354   7.1264   1.6423  475.579   46.435  495.083   64.523 -19.50403 79.49424 
1 1 1    8    5   57 f  210.495   42.210   1.3087   0.4550   1.2643   0.5485   1.4066   0.8146  207.555   51.614  213.434   66.805 -5.878952 84.42064 
1 1 1    8    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    6    2 o  540.581   53.988   7.5490   1.5005   7.5490   1.5005   0.0000   0.0000  540.581   53.988  ?   ?       ?      ? 
1 1 1    8    6    4 o  2120.49   38.132  115.876   4.1572  115.876   4.1572   0.0000   0.0000  2120.49   38.132  ?   ?       ?      ? 
1 1 1    8    6    6 o  916.260   39.691   21.642   1.8698   21.642   1.8698   0.0000   0.0000  916.260   39.691  ?   ?       ?      ? 
1 1 1    8    6    8 o  2151.26   35.189  119.301   3.5769  118.962   4.2823  120.082   6.5053  2148.18   38.774  2154.33   58.733 -6.156738 70.37772 
1 1 1    8    6   10 o  1449.53   38.769   54.493   2.8814   57.253   4.0018   51.522   4.1521  1488.15   52.305  1410.92   57.240 77.23120 77.53831 
1 1 1    8    6   12 o  518.953   33.830   7.0742   0.8457   7.2994   1.0388   6.6317   1.4565  531.930   37.985  505.974   55.990 25.95609 67.65928 
1 1 1    8    6   14 o  1042.09   33.840   28.678   1.7010   29.843   2.0973   26.439   2.9077  1075.02   37.947  1009.16   56.042 65.86292 67.68092 
1 1 1    8    6   16 o  1035.74   31.597   27.914   1.4669   28.056   1.7026   27.505   2.8896  1042.76   31.759  1028.73   54.635 14.02271 63.19492 
1 1 1    8    6   18 o  513.252   30.206   6.4287   0.7098   6.0100   0.8208   7.6705   1.4135  482.623   33.078  543.880   50.552 -61.25708 60.41186 
1 1 1    8    6   20 o  1887.52   34.068   93.124   3.1173   95.207   3.8421   89.112   5.3325  1920.71   38.908  1854.33   55.934 66.37317 68.13538 
1 1 1    8    6   22 o  2344.07   33.454  140.134   3.8327  136.395   4.7064  147.497   6.6038  2299.77   39.805  2388.39   53.780 -88.61963 66.90812 
1 1 1    8    6   24 o  1418.18   33.956   51.773   2.3468   51.455   2.8864   52.394   4.0308  1412.73   39.740  1423.63   55.071 -10.90662 67.91248 
1 1 1    8    6   26 o  1546.88   32.427   62.197   2.2378   62.651   2.5920   60.868   4.4346  1559.60   32.326  1534.15   56.224 25.44690 64.85406 
1 1 1    8    6   28 o  1411.12   31.595   50.022   2.0141   48.579   2.3280   54.316   4.0160  1373.11   32.977  1449.13   53.904 -76.02039 63.19067 
1 1 1    8    6   30 o  655.500   31.542   10.661   0.9444   10.181   1.0947   12.058   1.8673  628.451   33.881  682.550   53.213 -54.09857 63.08343 
1 1 1    8    6   32 o  823.378   57.192   17.592   2.4211   17.592   2.4211   0.0000   0.0000  823.378   57.192  ?   ?       ?      ? 
1 1 1    8    6   34 o  853.315   34.067   19.480   1.2784   20.095   1.4806   17.678   2.5342  882.513   32.633  824.118   59.812 58.39441 68.13477 
1 1 1    8    6   36 f  722.385   31.344   12.422   1.0369   11.241   1.1934   16.063   2.0946  659.312   35.206  785.457   51.870 -126.1445 62.68884 
1 1 1    8    6   38 o  1452.28   33.674   55.479   2.1727   55.992   2.5144   53.966   4.3172  1470.82   33.250  1433.74   58.569 37.08020 67.34882 
1 1 1    8    6   40 o  837.371   38.644   20.836   1.3461   23.192   1.5664   14.182   2.6324  945.984   32.206  728.758   70.258 217.2250 77.28791 
1 1 1    8    6   42 o  875.593   41.859   20.391   1.8843   20.106   2.6567   20.679   2.6729  869.317   59.442  881.869   58.953 -12.55164 83.71844 
1 1 1    8    6   44 o  991.934   36.237   26.098   1.7450   26.072   2.1437   26.149   3.0040  996.388   41.848  987.480   59.171 8.907532 72.47369 
1 1 1    8    6   46 o  628.545   38.804   11.058   1.1455   11.882   1.4002   9.3907   1.9918  671.618   40.552  585.473   66.171 86.14502 77.60802 
1 1 1    8    6   48 o  449.258   44.175   6.1499   0.8748   7.3523   1.0959   4.0376   1.4526  527.295   40.425  371.221   78.559 156.0739 88.34967 
1 1 1    8    6   50 o  201.945   38.726   1.2197   0.4353   1.5776   0.5470   0.6015   0.7190  239.040   46.178  164.850   62.180 74.19063 77.45216 
1 1 1    8    6   52 o  404.918   67.169   4.6676   1.3983   4.6676   1.3983   0.0000   0.0000  404.918   67.169  ?   ?       ?      ? 
1 1 1    8    6   54 o  212.613   46.219   1.3181   0.5660   1.6679   0.8060   0.9776   0.7951  236.639   64.486  188.588   66.229 48.05077 92.43729 
1 1 1    8    6   56 o  165.222   28.983   0.7285   0.3066   1.3729   0.4209   0.0000   0.4476  225.939   36.236  104.505   45.244 121.4342 57.96588 
1 1 1    8    6   58 o  343.300   42.175   3.1253   0.6886   2.3118   0.8233   5.0196   1.2563  275.263   59.881  411.337   59.406 -136.0749 84.34916 
1 1 1    8    7    1 o  1390.06   43.745   50.340   3.0369   48.502   4.8672   51.512   3.8862  1368.00   69.203  1412.11   53.529 -44.11157 87.48997 
1 1 1    8    7    3 f  1965.00   42.608  100.013   4.2351   99.148   6.5928  100.621   5.5260  1956.63   65.538  1973.37   54.467 -16.73975 85.21638 
1 1 1    8    7    5 o  1824.74   45.330   86.569   4.2344   91.620   5.8433   80.983   6.1447  1881.77   60.398  1767.71   67.611 114.0554 90.66023 
1 1 1    8    7    7 o  886.736   37.501   20.660   1.5342   21.113   1.8182   19.540   2.8585  904.973   39.079  868.499   64.017 36.47394 75.00205 
1 1 1    8    7    9 o  839.632   33.924   17.675   1.3665   16.794   1.6393   19.683   2.4736  806.966   39.512  872.298   55.156 -65.33142 67.84811 
1 1 1    8    7   11 f  998.620   38.709   25.778   1.9839   23.718   2.7524   28.006   2.8622  956.992   55.942  1040.25   53.517 -83.25562 77.41843 
1 1 1    8    7   13 o  1099.88   33.242   31.220   1.7760   31.053   2.1778   31.551   3.0690  1096.67   38.625  1103.10   54.114 -6.430664 66.48483 
1 1 1    8    7   15 o  675.761   33.475   11.881   1.0989   11.981   1.3524   11.688   1.8854  680.848   38.635  670.674   54.679 10.17456 66.95081 
1 1 1    8    7   17 o  457.229   31.117   5.3279   0.6457   5.2361   0.7503   5.5899   1.2676  450.476   32.395  463.982   53.138 -13.50558 62.23439 
1 1 1    8    7   19 o  940.699   33.020   22.357   1.5282   21.149   1.8807   24.703   2.6216  904.922   40.425  976.475   52.221 -71.55286 66.03902 
1 1 1    8    7   21 o  1751.65   32.063   79.049   2.8875   79.049   2.8875   0.0000   0.0000  1751.65   32.063  ?   ?       ?      ? 
1 1 1    8    7   23 o  2277.09   32.241  135.040   3.2728  136.308   3.7914  131.335   6.4828  2300.49   32.056  2253.68   55.950 46.80469 64.48245 
1 1 1    8    7   25 o  281.254   36.769   2.1018   0.4882   2.1395   0.5978   2.0265   0.8458  288.053   40.366  274.455   61.469 13.59741 73.53777 
1 1 1    8    7   27 o  1236.60   32.696   39.919   1.7983   40.368   2.0819   38.600   3.5687  1251.81   32.349  1221.38   56.831 30.42883 65.39281 
1 1 1    8    7   29 o  1594.96   33.580   67.953   2.3562   70.193   2.7297   61.406   4.6661  1650.49   32.169  1539.44   58.955 111.0527 67.16055 
1 1 1    8    7   31 o  1751.05   35.018   80.060   2.9615   81.524   3.6329   77.160   5.1130  1777.13   39.762  1724.96   57.654 52.17273 70.03526 
1 1 1    8    7   33 o  1628.35   35.545   70.187   2.7854   73.208   3.4296   64.332   4.7741  1683.39   39.627  1573.31   59.021 110.0787 71.08966 
1 1 1    8    7   35 o  1513.91   35.669   60.504   2.6050   62.454   3.2053   56.710   4.4708  1553.39   40.134  1474.44   58.978 78.94836 71.33882 
1 1 1    8    7   37 o  737.006   35.506   14.987   1.1347   15.813   1.3156   12.588   2.2424  781.945   32.725  692.067   63.023 89.87775 71.01270 
1 1 1    8    7   39 o  990.942   34.812   26.590   1.5149   27.522   1.7563   23.882   2.9943  1030.67   33.145  951.215   61.228 79.45313 69.62356 
1 1 1    8    7   41 o  286.329   39.553   2.5681   0.4936   2.9718   0.5787   1.4893   0.9460  338.322   33.267  234.336   71.770 103.9854 79.10566 
1 1 1    8    7   43 o  304.623   42.946   2.4351   0.6726   2.4351   0.6726   0.0000   0.0000  304.623   42.946  ?   ?       ?      ? 
1 1 1    8    7   45 o  113.272   31.737   0.1801   0.2679   0.1248   0.3389   0.2721   0.4372  102.496   41.469  124.048   48.056 -21.55220 63.47448 
1 1 1    8    7   47 o  241.814   39.200   1.8787   0.5097   2.5386   0.6250   0.5683   0.8808  310.339   39.174  173.289   67.912 137.0501 78.40086 
1 1 1    8    7   49 o  527.658   36.503   7.2082   0.9470   6.5208   1.1581   8.5957   1.6453  494.040   45.595  561.276   57.017 -67.23529 73.00572 
1 1 1    8    7   51 f  437.920   38.437   5.1688   0.8325   4.9551   1.0361   5.5579   1.3982  428.728   47.008  447.111   60.827 -18.38217 76.87417 
1 1 1    8    7   53 o  475.294   45.759   6.8280   0.9825   7.5502   1.2147   5.4618   1.6706  528.095   44.740  422.493   79.836 105.6015 91.51710 
1 1 1    8    7   55 o  330.496   46.773   3.5427   0.7362   4.2183   0.9197   2.3375   1.2284  392.133   45.620  268.860   81.668 123.2730 93.54589 
1 1 1    8    7   57 o  509.003   32.464   7.2199   0.8490   7.3339   1.1869   7.1005   1.2149  513.956   44.919  504.049   46.882 9.906372 64.92811 
1 1 1    8    8    0 o  2092.17   47.209  112.913   5.0721  112.913   5.0721   0.0000   0.0000  2092.17   47.209  2092.17   47.209 0.000000 0.000000 
1 1 1    8    8    2 o  1325.26   39.727   44.986   2.4055   44.502   2.8104   46.310   4.6519  1313.73   41.610  1336.78   67.687 -23.05249 79.45364 
1 1 1    8    8    4 o  345.571   48.504   3.1717   0.8425   2.2766   1.1673   4.1449   1.2172  290.866   76.892  400.277   59.145 -109.4117 97.00790 
1 1 1    8    8    6 o  1763.22   36.934   80.880   3.1209   78.810   5.4858   81.870   3.7949  1744.74   61.156  1781.70   41.429 -36.96521 73.86761 
1 1 1    8    8    8 f  396.224   34.943   4.0390   0.6759   4.1103   1.1582   4.0022   0.8322  398.557   56.525  393.891   41.097 4.666077 69.88567 
1 1 1    8    8   10 o  1753.33   39.743   79.746   3.5722   81.655   4.9047   77.589   5.2130  1776.28   53.707  1730.39   58.597 45.89600 79.48637 
1 1 1    8    8   12 o  2041.38   38.882  108.206   4.0743  112.029   5.6738  104.136   5.8544  2079.26   53.075  2003.50   56.836 75.75671 77.76460 
1 1 1    8    8   14 o  1237.97   33.729   40.111   2.0171   40.914   2.4762   38.526   3.4773  1258.33   38.276  1217.60   55.548 40.73071 67.45821 
1 1 1    8    8   16 o  766.354   33.922   15.449   1.2564   15.917   1.5475   14.546   2.1520  784.761   38.355  747.946   55.962 36.81506 67.84451 
1 1 1    8    8   18 o  1414.53   38.950   51.889   2.8270   56.433   4.0515   47.577   3.9466  1475.25   53.417  1353.82   56.702 121.4293 77.90039 
1 1 1    8    8   20 o  376.532   39.591   3.6577   0.7664   3.6577   0.7664   0.0000   0.0000  376.532   39.591  ?   ?       ?      ? 
1 1 1    8    8   22 f  939.939   39.201   22.848   1.8931   23.977   2.6921   21.743   2.6625  963.022   54.374  916.856   56.483 46.16644 78.40181 
1 1 1    8    8   24 o  2230.45   34.476  130.522   3.7120  134.773   4.5687  122.266   6.3670  2286.52   38.864  2174.37   56.955 112.1523 68.95114 
1 1 1    8    8   26 o  1308.57   33.117   45.486   1.9147   46.794   2.2201   41.689   3.7829  1347.85   32.038  1269.30   57.969 78.54688 66.23304 
1 1 1    8    8   28 o  1278.24   31.466   40.763   1.8229   39.268   2.1072   45.210   3.6338  1234.45   33.201  1322.03   53.462 -87.57349 62.93295 
1 1 1    8    8   30 o  726.337   32.660   13.576   1.0639   13.516   1.2322   13.754   2.1094  724.109   33.097  728.564   56.314 -4.454712 65.32024 
1 1 1    8    8   32 o  621.977   40.438   9.9937   1.2931   9.9937   1.2931   0.0000   0.0000  621.977   40.438  ?   ?       ?      ? 
1 1 1    8    8   34 o  582.051   33.696   8.8926   0.8691   9.0026   1.0050   8.5665   1.7310  590.561   33.100  573.542   58.703 17.01849 67.39162 
1 1 1    8    8   36 o  461.471   32.521   5.1286   0.6782   4.7312   0.7769   6.4018   1.3905  427.652   35.334  495.289   54.608 -67.63678 65.04243 
1 1 1    8    8   38 o  1296.89   33.623   44.077   1.9404   44.287   2.2448   43.458   3.8594  1307.80   33.386  1285.98   58.373 21.81982 67.24564 
1 1 1    8    8   40 o  391.967   39.560   4.4714   0.6434   4.8517   0.7505   3.4177   1.2492  432.414   33.760  351.519   71.556 80.89548 79.11977 
1 1 1    8    8   42 o  534.368   59.927   7.6131   1.6464   7.6131   1.6464   0.0000   0.0000  534.368   59.927  ?   ?       ?      ? 
1 1 1    8    8   44 o  760.209   35.079   15.481   1.1763   15.641   1.3585   15.000   2.3514  774.277   34.127  746.141   61.298 28.13660 70.15720 
1 1 1    8    8   46 o  329.390   38.466   2.9000   0.5374   2.8453   0.6140   3.0787   1.1109  329.359   36.262  329.420   67.849 -0.6048584E-01 76.93127 
1 1 1    8    8   48 o  705.458   36.398   13.057   1.2630   12.264   1.5541   14.601   2.1677  678.724   44.537  732.192   57.583 -53.46777 72.79697 
1 1 1    8    8   50 o  231.491   38.559   1.3286   0.4575   0.7404   0.5662   2.4344   0.7763  167.466   55.975  295.516   53.047 -128.0505 77.11768 
1 1 1    8    8   52 o  307.537   68.600   2.7945   1.0571   2.7945   1.0571   0.0000   0.0000  307.537   68.600  ?   ?       ?      ? 
1 1 1    8    8   54 o  255.478   50.036   1.9740   0.7058   2.6809   1.0168   1.3169   0.9804  298.470   67.805  212.486   73.599 85.98343 100.0722 
1 1 1    8    8   56 o  557.441   49.156   9.4046   1.3766   7.3092   1.9194   11.624   1.9754  483.506   77.212  631.376   60.856 -147.8704 98.31178 
1 1 1    8    8   58 o  231.352   43.845   1.6319   0.5058   1.5680   0.6094   1.7735   0.9071  229.230   52.797  233.473   70.014 -4.242599 87.68929 
1 1 1    8    9    1 o  1898.20   25.344   92.925   2.4709   90.390   3.5418   95.328   3.4490  1872.84   36.783  1923.56   34.875 -50.71680 50.68803 
1 1 1    8    9    3 o  1346.80   40.231   46.944   2.4540   46.981   2.8610   46.839   4.7739  1349.75   41.228  1343.85   69.096 5.897583 80.46146 
1 1 1    8    9    5 o  1232.69   39.697   39.809   2.2254   40.413   2.6102   38.201   4.2585  1251.83   40.557  1213.55   68.254 38.28308 79.39412 
1 1 1    8    9    7 o  366.795   43.086   3.8715   0.6771   4.2464   0.7979   2.9069   1.2799  405.816   38.243  327.774   77.221 78.04153 86.17222 
1 1 1    8    9    9 o  2898.29   41.119  216.853   6.1129  206.417   8.3064  229.183   9.0287  2822.85   57.234  2973.72   59.055 -150.8655 82.23857 
1 1 1    8    9   11 o  1040.32   39.808   28.156   2.1207   29.308   2.9115   26.855   3.0952  1063.53   53.247  1017.11   59.190 46.42047 79.61585 
1 1 1    8    9   13 o  1478.94   33.058   55.775   2.4052   59.641   4.0988   53.744   2.9704  1515.95   52.590  1441.93   40.069 74.02148 66.11542 
1 1 1    8    9   15 o  1134.49   33.257   33.058   1.8433   34.313   3.1676   32.416   2.2665  1149.24   53.611  1119.74   39.371 29.49780 66.51491 
1 1 1    8    9   17 o  1628.10   54.425   68.792   4.5556   0.0000   0.0000   68.792   4.5556  ?   ?   1628.10   54.425      ?      ? 
1 1 1    8    9   19 f  535.651   55.021   7.4306   1.5152   7.4306   1.5152   0.0000   0.0000  535.651   55.021  ?   ?       ?      ? 
1 1 1    8    9   21 o  2050.16   38.992  108.689   4.1095  110.868   5.8467  106.561   5.7774  2070.52   54.924  2029.80   55.362 40.71692 77.98413 
1 1 1    8    9   23 o  633.111   35.389   10.721   1.0692   11.450   1.3164   9.3066   1.8329  666.491   38.417  599.732   59.446 66.75952 70.77893 
1 1 1    8    9   25 o  529.537   32.788   6.7814   0.8580   5.6839   1.0505   8.9803   1.4869  469.376   43.531  589.698   49.044 -120.3223 65.57590 
1 1 1    8    9   27 o  662.407   36.544   11.990   1.1419   13.262   1.4104   9.5700   1.9457  717.156   38.252  607.658   62.279 109.4977 73.08810 
1 1 1    8    9   29 o  1512.29   32.844   59.767   2.2131   60.460   2.5648   57.747   4.3786  1531.64   32.571  1492.94   57.045 38.70459 65.68881 
1 1 1    8    9   31 o  383.551   40.760   3.7994   0.8038   3.7994   0.8038   0.0000   0.0000  383.551   40.760  ?   ?       ?      ? 
1 1 1    8    9   33 o  810.509   32.805   16.918   1.1898   16.824   1.3760   17.198   2.3682  807.496   33.145  813.522   56.622 -6.025757 65.60958 
1 1 1    8    9   35 o  271.343   36.380   1.8220   0.4852   1.3917   0.6054   2.5952   0.8115  226.761   52.894  315.925   49.962 -89.16328 72.75964 
1 1 1    8    9   37 o  327.421   33.239   2.6164   0.4998   2.4219   0.5782   3.1911   0.9939  305.708   36.787  349.134   55.372 -43.42624 66.47829 
1 1 1    8    9   39 o  474.683   30.497   4.9616   0.6665   3.9747   0.7628   8.1499   1.3709  391.095   37.934  558.271   47.763 -167.1755 60.99433 
1 1 1    8    9   41 o  1308.27   36.413   45.709   2.2935   46.931   2.8150   43.297   3.9554  1340.59   40.842  1275.95   60.296 64.64050 72.82625 
1 1 1    8    9   43 o  467.091   33.982   5.6165   0.7099   5.4708   0.8178   6.0624   1.4301  458.068   34.725  476.115   58.423 -18.04654 67.96338 
1 1 1    8    9   45 o  873.282   36.163   19.917   1.5465   18.981   1.8976   21.768   2.6688  847.757   43.539  898.808   57.754 -51.05066 72.32681 
1 1 1    8    9   47 o  708.940   33.676   12.716   1.0807   11.983   1.2450   14.955   2.1764  675.394   35.855  742.485   57.014 -67.09052 67.35108 
1 1 1    8    9   49 o  779.511   37.672   16.374   1.4176   16.173   1.7290   16.788   2.4760  779.226   43.159  779.797   61.759 -0.5701294 75.34481 
1 1 1    8    9   51 o  842.305   44.274   19.920   1.8989   23.079   2.7055   16.853   2.6658  913.653   57.597  770.956   67.255 142.6970 88.54752 
1 1 1    8    9   53 o  385.465   48.845   5.3545   0.8614   7.2545   1.0750   1.9471   1.4396  519.802   40.226  251.127   89.023 268.6744 97.68964 
1 1 1    8    9   55 o  150.488   37.476   0.5650   0.3374   0.5189   0.4025   0.6741   0.6190  139.842   47.190  161.135   58.232 -21.29330 74.95235 
1 1 1    8    9   57 o  172.625   35.857   0.8938   0.4058   1.3993   0.5078   0.0000   0.6752  220.418   46.282  124.831   54.780 95.58716 71.71375 
1 1 1    8   10    0 o  755.729   37.426   14.954   1.4208   14.812   2.1738   15.059   1.8772  751.519   57.016  759.938   48.499 -0.000000 0.000000 
1 1 1    8   10    2 o  1511.31   27.807   58.551   2.1480   55.941   2.8618   61.920   3.2507  1473.13   37.786  1549.50   40.806 -76.37146 55.61347 
1 1 1    8   10    4 o  1460.23   29.408   55.039   2.2061   56.128   3.0802   53.892   3.1611  1475.19   40.613  1445.27   42.542 29.91479 58.81536 
1 1 1    8   10    6 f  209.954   30.836   1.2085   0.3301   1.7190   0.4598   0.6652   0.4743  258.261   34.629  161.647   51.033 96.61423 61.67297 
1 1 1    8   10    8 o  1248.64   37.312   40.256   2.1533   40.139   2.5386   40.555   4.0655  1247.23   39.589  1250.05   63.257 -2.826538 74.62411 
1 1 1    8   10   10 o  682.924   42.156   12.312   1.4549   14.024   1.9868   10.331   2.1365  735.761   52.523  630.086   65.954 105.6753 84.31254 
1 1 1    8   10   12 o  1332.35   34.141   45.197   2.1738   43.884   2.6107   48.165   3.9251  1303.19   38.966  1361.51   56.073 -58.32446 68.28259 
1 1 1    8   10   14 o  781.589   34.530   16.069   1.2873   16.475   1.5648   15.220   2.2642  798.408   38.122  764.770   57.585 33.63776 69.06049 
1 1 1    8   10   16 o  1366.71   54.938   48.502   3.8603   0.0000   0.0000   48.502   3.8603  ?   ?   1366.71   54.938      ?      ? 
1 1 1    8   10   18 o  1564.84   54.909   63.444   4.4176   63.444   4.4176   0.0000   0.0000  1564.84   54.909  ?   ?       ?      ? 
1 1 1    8   10   20 o  1784.56   38.953   82.429   3.5714   79.394   5.0725   85.413   5.0292  1751.71   56.324  1817.42   53.824 -65.70154 77.90600 
1 1 1    8   10   22 o  1421.58   39.133   52.260   2.8594   51.263   4.0628   53.240   4.0250  1408.02   56.124  1435.15   54.551 -27.13147 78.26697 
1 1 1    8   10   24 o  1576.31   39.326   64.292   3.1841   61.319   4.5134   67.237   4.4927  1539.78   57.014  1612.84   54.181 -73.06335 78.65218 
1 1 1    8   10   26 o  1007.99   39.596   26.285   2.0511   27.336   2.9162   25.257   2.8854  1028.01   55.176  987.969   56.805 40.04333 79.19117 
1 1 1    8   10   28 o  1639.30   34.955   70.754   2.7640   73.402   3.4045   65.636   4.7341  1686.80   39.257  1591.79   57.847 95.01318 69.90998 
1 1 1    8   10   30 o  1582.56   56.912   64.930   4.6306   64.930   4.6306   0.0000   0.0000  1582.56   56.912  ?   ?       ?      ? 
1 1 1    8   10   32 o  1282.79   34.223   41.633   2.1523   39.519   2.6395   45.829   3.7182  1236.54   41.518  1329.03   54.416 -92.49475 68.44599 
1 1 1    8   10   34 o  281.340   33.538   1.8851   0.4201   1.6745   0.4823   2.5474   0.8552  254.505   36.860  308.174   56.041 -53.66873 67.07625 
1 1 1    8   10   36 o  669.408   34.200   11.909   1.0113   12.154   1.1705   11.187   2.0084  685.530   33.211  653.286   59.797 32.24396 68.40054 
1 1 1    8   10   38 o  350.208   36.711   3.2401   0.5578   3.2215   0.6459   3.2948   1.1060  352.448   35.647  347.969   64.188 4.479034 73.42259 
1 1 1    8   10   40 o  852.300   35.924   20.159   1.3264   21.226   1.5371   17.048   2.6245  904.363   33.059  800.237   63.791 104.1265 71.84848 
1 1 1    8   10   42 o  1520.10   41.539   60.519   3.2464   60.519   3.2464   0.0000   0.0000  1520.10   41.539  ?   ?       ?      ? 
1 1 1    8   10   44 o  173.506   36.190   0.8910   0.3442   1.0689   0.3905   0.2709   0.7290  198.487   39.656  148.525   60.549 49.96184 72.37984 
1 1 1    8   10   46 o  784.153   34.983   16.431   1.2206   16.439   1.4127   16.409   2.4248  792.050   34.691  776.257   60.759 15.79333 69.96507 
1 1 1    8   10   48 o  512.482   35.095   6.9019   0.7992   6.7484   0.9194   7.3767   1.6169  506.579   35.301  518.384   60.667 -11.80469 70.18996 
1 1 1    8   10   50 o  747.265   35.831   15.308   1.1830   15.495   1.3700   14.761   2.3454  766.584   34.761  727.945   62.667 38.63904 71.66258 
1 1 1    8   10   52 o  667.450   44.460   12.603   1.5255   12.420   2.1368   12.794   2.1784  662.650   62.722  672.250   63.030 -9.599670 88.91980 
1 1 1    8   10   54 o  442.469   49.065   5.8019   1.0846   5.0393   1.4963   6.6460   1.5743  405.782   74.469  479.155   63.905 -73.37222 98.12975 
1 1 1    8   10   56 o  108.051   30.334   0.2153   0.2359   0.2829   0.2704   0.0000   0.4824  108.230   38.560  107.872   46.837 0.3587646 60.66768 
1 1 1    8   11    1 o  856.377   26.140   18.929   1.1481   18.554   1.6738   19.261   1.5779  848.274   38.379  864.480   35.501 -16.20569 52.28045 
1 1 1    8   11    3 o  348.641   30.580   3.1338   0.5469   3.4370   0.7871   2.8508   0.7604  364.969   41.948  332.313   44.507 32.65546 61.15954 
1 1 1    8   11    5 o  521.749   29.424   7.0284   0.7888   7.1324   1.1008   6.9187   1.1307  525.760   40.726  517.738   42.478 8.021851 58.84711 
1 1 1    8   11    7 o  1300.47   28.930   43.663   1.9328   43.815   2.6834   43.499   2.7861  1302.94   40.059  1298.00   41.750 4.939453 57.86015 
1 1 1    8   11    9 o  1001.39   43.242   26.292   2.2035   28.296   2.9889   23.908   3.2612  1044.47   55.661  958.308   66.191 86.15912 86.48374 
1 1 1    8   11   11 o  986.453   28.086   25.125   1.4235   24.475   1.9701   25.836   2.0591  973.152   39.376  999.753   40.060 -26.60138 56.17227 
1 1 1    8   11   13 o  139.653   27.122   0.5102   0.2175   0.7829   0.3019   0.2161   0.3135  170.978   35.503  108.327   41.012 62.65072 54.24433 
1 1 1    8   11   15 o  353.137   41.985   3.3245   0.7370   3.8040   1.0309   2.8233   1.0541  382.891   52.368  323.384   65.641 59.50769 83.97092 
1 1 1    8   11   17 f  1179.26   55.180   36.047   3.3455   36.047   3.3455   0.0000   0.0000  1179.26   55.180  ?   ?       ?      ? 
1 1 1    8   11   19 o  1110.41   33.154   31.272   1.8009   30.055   2.2080   33.689   3.1127  1079.47   39.785  1141.36   53.046 -61.89233 66.30798 
1 1 1    8   11   21 o  636.120   39.385   10.469   1.2873   10.125   1.8284   10.807   1.8127  625.674   56.841  646.567   54.532 -20.89227 78.76940 
1 1 1    8   11   23 o  2231.17   39.221  128.686   4.4987  130.759   6.3974  126.658   6.3274  2248.97   55.328  2213.36   55.604 35.61499 78.44125 
1 1 1    8   11   25 o  871.809   39.548   19.660   1.7722   20.234   2.5148   19.093   2.4977  884.514   55.301  859.104   56.550 25.40942 79.09550 
1 1 1    8   11   27 o  519.212   40.665   7.0019   1.0789   6.0794   1.5179   7.9435   1.5336  484.317   60.962  554.108   53.834 -69.79099 81.32909 
1 1 1    8   11   29 o  2043.71   56.158  108.226   5.9006   0.0000   0.0000  108.226   5.9006  ?   ?   2043.71   56.158      ?      ? 
1 1 1    8   11   31 o  1405.22   57.127   51.263   4.1272   51.263   4.1272   0.0000   0.0000  1405.22   57.127  ?   ?       ?      ? 
1 1 1    8   11   33 o  339.473   43.175   3.0578   0.7359   2.7847   1.0377   3.3341   1.0439  320.981   65.109  357.965   56.719 -36.98337 86.34934 
1 1 1    8   11   35 o  1094.24   40.896   31.296   2.3006   31.801   3.2734   30.803   3.2339  1103.00   57.724  1085.48   57.947 17.51892 81.79193 
1 1 1    8   11   37 o  1453.66   33.516   55.348   2.1727   55.601   2.5161   54.608   4.3086  1465.44   33.395  1441.89   58.121 23.54529 67.03188 
1 1 1    8   11   39 o  1222.53   34.600   40.165   1.8628   41.186   2.1569   37.167   3.6957  1260.14   33.292  1184.91   60.666 75.22583 69.20050 
1 1 1    8   11   41 o  872.659   41.752   19.921   1.8732   19.921   1.8732   0.0000   0.0000  872.659   41.752  ?   ?       ?      ? 
1 1 1    8   11   43 o  191.084   35.776   1.0895   0.3387   1.2352   0.3805   0.5328   0.7437  217.636   34.002  164.533   62.956 53.10349 71.55145 
1 1 1    8   11   45 o  229.004   39.187   1.6709   0.4779   2.1273   0.5674   0.5567   0.8865  284.451   38.796  173.557   68.097 110.8938 78.37347 
1 1 1    8   11   47 o  624.757   35.014   10.327   0.9679   10.192   1.1135   10.744   1.9579  623.085   34.760  626.429   60.791 -3.344360 70.02710 
1 1 1    8   11   49 o  263.093   40.809   1.8344   0.4629   1.7580   0.5216   2.1176   1.0046  257.528   39.397  268.658   71.480 -11.13010 81.61782 
1 1 1    8   11   51 o  287.495   68.529   2.4408   0.9986   2.4408   0.9986   0.0000   0.0000  287.495   68.529  ?   ?       ?      ? 
1 1 1    8   11   53 o  255.672   42.104   2.0548   0.5436   2.4249   0.6649   1.3087   0.9440  299.225   43.222  212.118   72.269 87.10753 84.20823 
1 1 1    8   11   55 o  421.036   48.409   5.7986   0.8900   6.6427   1.0864   4.0760   1.5519  492.804   42.877  349.268   86.805 143.5359 96.81704 
1 1 1    8   11   57 o  213.241   42.317   1.5273   0.5125   1.8723   0.6106   0.7046   0.9429  254.161   48.498  172.321   69.360 81.84041 84.63416 
1 1 1    8   12    0 o  1039.64   39.251   28.410   2.0246   26.806   3.2182   29.461   2.6047  1013.28   62.315  1065.99   47.745 -0.000000 0.000000 
1 1 1    8   12    2 o  1001.97   39.416   25.898   1.7223   25.814   1.9686   26.172   3.5556  1000.41   38.275  1003.53   68.916 -3.116028 78.83173 
1 1 1    8   12    4 o  849.134   30.157   18.639   1.3149   17.798   1.8741   19.454   1.8455  830.138   43.910  868.131   41.348 -37.99335 60.31393 
1 1 1    8   12    6 o  2854.40   29.268  210.380   4.2932  209.968   5.9791  210.817   6.1682  2851.71   40.781  2857.09   41.992 -5.381836 58.53568 
1 1 1    8   12    8 o  817.576   38.468   17.435   1.4386   17.553   1.6896   17.125   2.7430  824.331   39.867  810.821   65.800 13.51025 76.93559 
1 1 1    8   12   10 o  634.990   28.447   10.426   0.9275   10.456   1.2805   10.392   1.3452  636.059   39.157  633.922   41.275 2.137390 56.89423 
1 1 1    8   12   12 o  760.337   28.034   14.928   1.0951   14.433   1.5136   15.472   1.5863  747.153   39.402  773.522   39.889 -26.36871 56.06870 
1 1 1    8   12   14 o  1245.19   33.949   40.116   2.0697   40.365   3.5140   39.983   2.5611  1246.66   54.826  1243.72   40.053 2.942017 67.89797 
1 1 1    8   12   16 o  942.781   39.112   23.045   1.8957   22.726   2.6761   23.367   2.6857  936.190   55.599  949.373   55.025 -13.18317 78.22388 
1 1 1    8   12   18 o  1233.18   27.623   39.224   1.7512   39.384   2.4656   39.062   2.4877  1235.73   38.809  1230.62   39.319 5.107910 55.24635 
1 1 1    8   12   20 o  1432.65   39.100   53.070   2.8800   53.141   4.0766   53.000   4.0692  1433.60   55.309  1431.69   55.283 1.906616 78.20039 
1 1 1    8   12   22 o  435.952   33.254   4.7099   0.7108   4.3017   0.8665   5.5497   1.2428  408.431   41.266  463.474   52.157 -55.04340 66.50751 
1 1 1    8   12   24 o  1354.93   34.688   48.289   2.2647   50.064   2.7862   44.831   3.8881  1393.50   38.890  1316.36   57.450 77.13379 69.37530 
1 1 1    8   12   26 o  676.766   37.869   12.875   1.1821   14.773   1.4582   9.2352   2.0188  756.935   37.470  596.596   65.819 160.3386 75.73740 
1 1 1    8   12   28 o  831.080   40.247   17.926   1.7096   20.437   2.4443   15.523   2.3919  888.512   53.509  773.649   60.135 114.8633 80.49497 
1 1 1    8   12   30 o  1103.49   40.130   31.448   2.2767   31.448   2.2767   0.0000   0.0000  1103.49   40.130  ?   ?       ?      ? 
1 1 1    8   12   32 o  567.217   41.429   8.4125   1.1979   7.1605   1.6928   9.6685   1.6955  524.222   62.808  610.212   54.044 -85.98999 82.85883 
1 1 1    8   12   34 o  324.557   45.479   2.8525   0.7320   2.8899   1.0312   2.8145   1.0394  326.887   63.646  322.227   64.981 4.659637 90.95784 
1 1 1    8   12   36 o  817.336   41.422   17.576   1.7292   15.195   2.4304   20.017   2.4608  760.066   62.196  874.605   54.726 -114.5392 82.84448 
1 1 1    8   12   38 o  1062.15   35.283   29.054   1.8285   28.033   2.2383   31.102   3.1701  1037.42   41.966  1086.89   56.732 -49.46399 70.56621 
1 1 1    8   12   40 o  389.072   43.385   4.0298   0.8669   3.8024   1.2197   4.2621   1.2325  377.655   62.817  400.490   59.860 -22.83551 86.77072 
1 1 1    8   12   42 o  185.600   37.975   0.9528   0.3758   1.0366   0.4611   0.7870   0.6485  194.576   46.692  176.624   59.902 17.95201 75.94964 
1 1 1    8   12   44 o  358.069   40.883   3.6610   0.6779   4.0140   0.8430   3.0150   1.1404  390.289   42.012  325.850   70.147 64.43961 81.76569 
1 1 1    8   12   46 o  540.437   36.092   7.8883   0.8568   7.9430   0.9875   7.7217   1.7236  550.276   34.905  530.598   63.184 19.67798 72.18443 
1 1 1    8   12   48 o  253.636   37.451   1.7645   0.4276   1.7562   0.4970   1.7881   0.8392  257.943   37.475  249.328   64.854 8.614761 74.90284 
1 1 1    8   12   50 o  717.731   39.231   14.521   1.3360   15.268   1.6367   13.027   2.3129  755.928   42.113  679.534   66.202 76.39410 78.46188 
1 1 1    8   12   52 o  366.223   35.975   3.4548   0.5926   3.2217   0.6799   4.1917   1.2088  347.355   38.070  385.090   61.053 -37.73483 71.95045 
1 1 1    8   12   54 o  147.162   39.911   0.2589   0.3933   0.0000   0.4565   1.0045   0.7746  105.787   45.746  188.537   65.414 -82.75022 79.82290 
1 1 1    8   12   56 o  220.618   35.624   0.7603   0.4422   0.0000   0.5083   3.1263   0.8966  110.220   47.966  331.016   52.683 -220.7952 71.24763 
1 1 1    8   13    1 o  705.776   26.821   12.891   0.9701   12.201   1.4042   13.520   1.3418  687.542   39.725  724.010   36.048 -36.46869 53.64239 
1 1 1    8   13    3 o  441.270   28.479   5.0024   0.6431   4.7858   0.8617   5.2747   0.9662  430.604   38.921  451.935   41.584 -21.33029 56.95721 
1 1 1    8   13    5 o  546.267   30.211   7.7547   0.8414   6.6131   1.1906   8.8936   1.1892  505.664   45.798  586.870   39.412 -81.20578 60.42146 
1 1 1    8   13    7 f  985.366   37.613   24.202   1.7174   23.001   2.0072   27.485   3.3182  943.288   41.389  1027.44   62.817 -84.15747 75.22612 
1 1 1    8   13    9 o  253.359   37.501   1.6673   0.4519   1.9248   0.7862   1.5402   0.5522  266.873   58.881  239.844   46.457 27.02841 75.00201 
1 1 1    8   13   11 o  2437.33   28.265  153.498   3.5386  151.038   4.8846  156.214   5.1334  2417.03   39.308  2457.62   40.627 -40.59302 56.53035 
1 1 1    8   13   13 o  881.162   34.148   20.154   1.4780   19.998   2.4832   20.239   1.8392  877.479   55.043  884.845   40.430 -7.365784 68.29539 
1 1 1    8   13   15 o  1088.17   39.148   30.709   2.1897   31.265   3.0859   30.146   3.1075  1098.21   54.656  1078.13   56.063 20.08105 78.29594 
1 1 1    8   13   17 o  609.250   27.929   9.5821   0.8742   9.8675   1.2260   9.2869   1.2468  618.535   38.553  599.964   40.421 18.57031 55.85892 
1 1 1    8   13   19 o  1668.06   33.959   71.907   2.7382   72.027   3.3467   71.666   4.7623  1671.43   38.945  1664.70   55.643 6.730103 67.91840 
1 1 1    8   13   21 o  1719.66   34.658   78.041   2.8649   71.449   4.9222   81.419   3.5233  1662.07   57.602  1777.24   38.559 -115.1696 69.31653 
1 1 1    8   13   23 o  1759.05   27.912   79.821   2.5211   74.865   3.5522   84.850   3.5787  1703.87   40.550  1814.24   38.367 -110.3682 55.82437 
1 1 1    8   13   25 o  2487.24   28.005  159.570   3.5803  155.121   5.0537  164.054   5.0730  2452.33   40.083  2522.15   39.122 -69.82178 56.01072 
1 1 1    8   13   27 o  316.220   28.900   2.5849   0.4690   2.6791   0.6526   2.4841   0.6745  322.238   39.394  310.202   42.295 12.03564 57.79940 
1 1 1    8   13   29 o  2039.33   56.478  107.841   5.9216  107.841   5.9216   0.0000   0.0000  2039.33   56.478  ?   ?       ?      ? 
1 1 1    8   13   31 o  1865.48   40.072   90.377   3.8432   90.817   5.4584   89.945   5.4121  1869.95   56.776  1861.02   56.565 8.933228 80.14400 
1 1 1    8   13   33 o  420.536   36.181   4.6325   0.7323   4.7004   0.8947   4.4946   1.2745  426.090   40.841  414.983   59.735 11.10721 72.36190 
1 1 1    8   13   35 o  864.457   36.106   19.926   1.4997   20.809   1.8454   18.207   2.5734  895.705   40.074  833.209   60.072 62.49652 72.21243 
1 1 1    8   13   37 o  206.416   39.016   1.0834   0.4020   0.9275   0.4875   1.4143   0.7103  185.223   50.020  227.609   59.891 -42.38557 78.03153 
1 1 1    8   13   39 o  1227.11   41.297   39.867   2.6037   41.764   3.7030   38.011   3.6617  1256.65   57.314  1197.58   59.472 59.07593 82.59451 
1 1 1    8   13   41 f  610.152   42.095   9.7548   1.3205   9.7548   1.3205   0.0000   0.0000  610.152   42.095  ?   ?       ?      ? 
1 1 1    8   13   43 o  575.964   36.058   8.5550   1.0192   7.9668   1.2484   9.7309   1.7650  549.589   44.182  602.339   56.996 -52.75049 72.11504 
1 1 1    8   13   45 o  337.276   46.672   3.2217   0.7881   4.5849   1.1401   1.9742   1.0906  412.947   53.701  261.605   76.350 151.3424 93.34352 
1 1 1    8   13   47 o  159.352   36.541   0.6901   0.3753   0.9808   0.4474   0.0000   0.6893  188.048   46.526  130.656   56.358 57.39195 73.08121 
1 1 1    8   13   49 o  256.453   39.603   1.7262   0.4919   1.3539   0.6058   2.4472   0.8430  218.747   54.153  294.158   57.803 -75.41084 79.20698 
1 1 1    8   13   51 o  559.180   40.566   8.9455   1.0713   9.4390   1.3105   7.9514   1.8599  592.414   43.028  525.946   68.783 66.46753 81.13274 
1 1 1    8   13   53 o  421.062   39.860   4.8942   0.8064   4.7132   0.9752   5.2854   1.4338  415.327   45.672  426.798   65.341 -11.47119 79.72016 
1 1 1    8   13   55 o  221.579   41.552   1.4871   0.4657   1.5428   0.5667   1.3711   0.8174  231.328   49.161  211.830   67.003 19.49780 83.10365 
1 1 1    8   13   57 f  262.163   49.590   2.1309   0.7007   1.3871   0.9127   3.1980   1.0933  208.199   71.061  316.127   69.188 -107.9276 99.17937 
1 1 1    8   14    0 o  1581.19   39.394   64.289   3.1017   62.686   3.9214   66.967   5.0693  1556.44   49.116  1605.94   61.604 0.000000 0.000000 
1 1 1    8   14    2 o  610.488   26.908   9.6528   0.8413   9.2165   1.2279   10.039   1.1549  597.306   39.984  623.670   36.019 -26.36450 53.81544 
1 1 1    8   14    4 o  1088.76   30.922   30.733   1.7255   29.571   2.5123   31.770   2.3740  1068.92   45.714  1108.59   41.653 -39.66809 61.84438 
1 1 1    8   14    6 o  1538.41   39.515   60.418   2.8120   59.061   3.3022   63.998   5.3634  1511.02   42.508  1565.79   66.625 -54.77026 79.03059 
1 1 1    8   14    8 o  360.724   38.849   3.4465   0.6539   3.3907   1.1463   3.4734   0.7961  355.063   65.197  366.386   42.264 -11.32294 77.69743 
1 1 1    8   14   10 o  820.008   28.835   17.435   1.2122   18.177   1.6768   16.622   1.7546  838.556   38.894  801.460   42.581 37.09637 57.67078 
1 1 1    8   14   12 o  317.779   33.648   2.5381   0.5362   2.9625   0.8833   2.2906   0.6747  338.020   50.828  297.538   44.105 40.48251 67.29572 
1 1 1    8   14   14 o  1610.88   33.684   67.053   2.6226   66.903   3.2023   67.358   4.5703  1609.88   38.690  1611.88   55.150 -1.995972 67.36819 
1 1 1    8   14   16 o  1633.89   27.862   68.816   2.3395   67.261   3.2516   70.486   3.3687  1614.79   39.166  1652.98   39.639 -38.18604 55.72451 
1 1 1    8   14   18 o  1968.10   27.805   99.882   2.8128  100.337   3.9395   99.408   4.0174  1972.75   38.842  1963.45   39.798 9.295288 55.61085 
1 1 1    8   14   20 o  1490.14   39.273   57.424   3.0079   58.350   4.2252   56.472   4.2830  1502.46   54.698  1477.82   56.370 24.63574 78.54622 
1 1 1    8   14   22 o  1056.56   33.510   28.008   1.7280   26.380   2.1053   31.369   3.0251  1011.45   40.486  1101.68   53.409 -90.23126 67.01990 
1 1 1    8   14   24 o  677.525   28.152   11.840   0.9799   11.257   1.3783   12.436   1.3934  660.605   40.583  694.445   39.027 -33.84039 56.30350 
1 1 1    8   14   26 o  1457.43   28.123   54.809   2.1071   55.583   2.9742   54.028   2.9856  1467.82   39.411  1447.05   40.131 20.76941 56.24693 
1 1 1    8   14   28 o  332.524   42.711   2.9120   0.7147   2.7019   0.9918   3.1390   1.0309  317.113   63.052  347.935   57.633 -30.82187 85.42260 
1 1 1    8   14   30 o  1313.98   35.714   46.033   2.2434   48.571   2.7558   41.046   3.8625  1371.32   39.088  1256.65   59.783 114.6730 71.42781 
1 1 1    8   14   32 o  1076.60   35.256   30.365   1.8364   30.930   2.2572   29.259   3.1582  1093.39   40.153  1059.80   57.963 33.59424 70.51205 
1 1 1    8   14   34 o  1078.14   35.110   30.057   1.8457   29.612   2.2678   30.930   3.1767  1068.52   41.281  1087.76   56.804 -19.23462 70.21964 
1 1 1    8   14   36 o  438.094   41.966   5.5872   0.8083   6.3950   0.9893   3.9650   1.4019  496.316   38.769  379.871   74.442 116.4455 83.93219 
1 1 1    8   14   38 o  679.877   35.339   11.948   1.1725   11.572   1.4370   12.696   2.0281  666.148   41.959  693.606   56.874 -27.45752 70.67726 
1 1 1    8   14   40 o  666.028   41.957   11.608   1.4367   11.608   1.4367   0.0000   0.0000  666.028   41.957  ?   ?       ?      ? 
1 1 1    8   14   42 o  742.662   43.938   15.062   1.6410   11.680   2.3301   18.389   2.3115  654.674   69.228  830.650   54.127 -175.9761 87.87594 
1 1 1    8   14   44 o  806.293   42.708   17.643   1.7682   16.670   2.4982   18.621   2.5032  782.803   62.073  829.783   58.675 -46.97998 85.41557 
1 1 1    8   14   46 o  884.205   34.741   20.684   1.3637   20.423   1.5715   21.477   2.7442  882.103   34.651  886.307   60.224 -4.204163 69.48112 
1 1 1    8   14   48 o  336.320   37.222   3.0052   0.5427   2.9016   0.6249   3.3229   1.0947  331.556   36.659  341.083   64.792 -9.526947 74.44419 
1 1 1    8   14   50 o  258.125   37.839   1.7703   0.5022   1.7703   0.5022   0.0000   0.0000  258.125   37.839  ?   ?       ?      ? 
1 1 1    8   14   52 f  197.825   34.261   1.3328   0.3948   1.7899   0.4575   0.0000   0.7812  259.604   34.279  136.045   59.330 123.5591 68.52106 
1 1 1    8   14   54 o  225.014   45.569   1.5100   0.5737   2.0530   0.8311   1.0157   0.7929  261.124   62.697  188.903   66.145 72.22057 91.13808 
1 1 1    8   14   56 o  166.599   39.604   0.7211   0.3742   0.5822   0.4457   1.0530   0.6890  145.797   49.655  187.400   61.711 -41.60338 79.20740 
1 1 1    8   15    1 o  401.250   27.486   4.1663   0.5662   4.0152   0.8135   4.3082   0.7884  394.117   40.150  408.383   37.549 -14.26627 54.97216 
1 1 1    8   15    3 o  268.106   30.848   1.8979   0.4118   1.9760   0.5548   1.8020   0.6145  276.509   39.024  259.703   47.786 16.80582 61.69585 
1 1 1    8   15    5 o  686.570   43.793   12.916   1.3627   13.745   1.6188   10.901   2.5241  728.741   43.208  644.399   76.187 84.34143 87.58596 
1 1 1    8   15    7 o  601.622   42.155   10.298   1.1394   7.4862   2.0392   11.575   1.3738  534.204   74.248  669.040   39.941 -134.8364 84.30939 
1 1 1    8   15    9 o  1298.90   29.032   43.618   1.9369   43.310   2.6767   43.957   2.8063  1294.24   40.227  1303.56   41.873 -9.315674 58.06491 
1 1 1    8   15   11 o  1738.28   38.481   78.415   3.4386   76.797   4.8485   80.052   4.8775  1720.11   54.825  1756.44   54.013 -36.32739 76.96227 
1 1 1    8   15   13 o  2191.00   33.757  124.723   3.5824  125.864   4.3962  122.469   6.1809  2208.27   38.722  2173.72   55.306 34.54419 67.51425 
1 1 1    8   15   15 o  1254.19   27.956   40.551   1.8012   39.992   2.4907   41.164   2.6080  1245.20   38.905  1263.18   40.157 -17.98047 55.91251 
1 1 1    8   15   17 o  1118.97   27.970   32.250   1.6082   31.028   2.2327   33.567   2.3183  1096.97   39.589  1140.97   39.521 -43.99854 55.93928 
1 1 1    8   15   19 o  2681.51   39.784  186.174   5.4768  192.387   7.6305  179.572   7.8657  2728.22   54.401  2634.79   58.066 93.43066 79.56816 
1 1 1    8   15   21 o  2406.14   27.872  149.243   3.4477  147.306   4.8424  151.234   4.9099  2390.32   39.403  2421.97   39.431 -31.65137 55.74399 
1 1 1    8   15   23 o  1583.67   28.023   64.706   2.2780   60.080   3.2022   69.446   3.2413  1526.19   40.811  1641.15   38.414 -114.9644 56.04639 
1 1 1    8   15   25 o  1523.91   28.165   59.968   2.2034   63.790   3.1178   56.154   3.1143  1572.64   38.561  1475.17   41.063 97.46521 56.33020 
1 1 1    8   15   27 o  1095.27   40.357   31.131   2.2627   27.538   3.1701   34.864   3.2307  1030.30   59.846  1160.24   54.160 -129.9386 80.71447 
1 1 1    8   15   29 o  762.667   28.989   15.089   1.1269   12.719   1.5823   17.529   1.6053  701.354   43.881  823.979   37.894 -122.6252 57.97850 
1 1 1    8   15   31 o  307.671   39.699   2.6454   0.5704   2.1135   0.9680   2.9283   0.7060  278.877   68.105  336.465   40.813 -57.58780 79.39746 
1 1 1    8   15   33 o  1280.28   28.712   42.484   1.8894   43.550   2.6727   41.418   2.6715  1296.48   40.097  1264.08   41.106 32.39209 57.42333 
1 1 1    8   15   35 o  1329.37   35.413   46.029   2.2846   45.807   2.8005   46.470   3.9505  1327.96   41.018  1330.79   57.740 -2.831665 70.82626 
1 1 1    8   15   37 o  729.084   37.058   14.443   1.2840   15.389   1.5762   12.578   2.2138  769.006   39.866  689.163   62.481 79.84277 74.11637 
1 1 1    8   15   39 o  298.776   63.728   2.4671   0.9491   2.4671   0.9491   0.0000   0.0000  298.776   63.728  ?   ?       ?      ? 
1 1 1    8   15   41 o  1199.93   42.203   38.620   2.5979   35.811   3.6745   41.428   3.6735  1154.40   61.912  1245.47   57.369 -91.06567 84.40567 
1 1 1    8   15   43 o  237.404   42.019   1.6186   0.4974   1.7416   0.6104   1.3757   0.8581  252.080   48.861  222.727   68.375 29.35295 84.03874 
1 1 1    8   15   45 o  444.835   37.675   5.1229   0.8204   4.6890   0.9997   6.0179   1.4359  419.581   46.344  470.089   59.411 -50.50797 75.34901 
1 1 1    8   15   47 o  427.254   40.507   5.3308   0.7030   5.6045   0.8074   4.4724   1.4299  461.859   34.001  392.650   73.533 69.20947 81.01330 
1 1 1    8   15   49 o   99.844   41.112   0.0976   0.3403   0.0976   0.3403   0.0000   0.0000   99.844   41.112  ?   ?       ?      ? 
1 1 1    8   15   51 o  155.123   36.167   0.6341   0.3171   0.6293   0.3791   0.6452   0.5786  151.120   45.248  159.126   56.434 -8.005951 72.33406 
1 1 1    8   15   53 o  155.060   36.846   0.6215   0.3093   0.6074   0.3516   0.6696   0.6503  147.660   43.427  162.460   59.537 -14.80049 73.69171 
1 1 1    8   15   55 o  320.934   44.375   3.4188   0.6102   3.7596   0.7075   2.4298   1.2053  372.646   36.930  269.223   80.702 103.4228 88.75086 
1 1 1    8   16    0 o  137.267   45.183   0.7089   0.3506   0.6988   0.5651   0.7152   0.4470  135.411   67.199  139.122   60.419 -0.000000 0.000000 
1 1 1    8   16    2 o  1072.69   27.106   29.720   1.4931   30.137   2.1720   29.347   2.0558  1079.69   39.129  1065.69   37.523 14.00525 54.21239 
1 1 1    8   16    4 o  1468.43   41.390   57.848   2.5825   59.281   2.9429   53.047   5.3854  1514.58   37.793  1422.28   73.648 92.30151 82.77923 
1 1 1    8   16    6 o  1431.67   38.795   53.432   2.6144   52.847   4.7612   53.685   3.1282  1422.89   65.084  1440.46   42.241 -17.57483 77.59013 
1 1 1    8   16    8 o  970.737   34.904   24.258   1.6766   25.052   2.7976   23.813   2.0944  981.995   55.412  959.479   42.458 22.51526 69.80856 
1 1 1    8   16   10 o  932.246   38.858   22.619   1.8520   25.433   2.6252   19.831   2.6130  990.666   51.543  873.827   58.164 116.8384 77.71518 
1 1 1    8   16   12 o  1567.76   33.710   63.671   2.5731   63.924   3.1699   63.183   4.4055  1573.81   39.177  1561.70   54.869 12.10706 67.41946 
1 1 1    8   16   14 o  2024.08   28.189  105.617   2.9302  104.412   4.0399  106.953   4.2563  2012.05   39.054  2036.11   40.659 -24.05701 56.37723 
1 1 1    8   16   16 o  571.520   28.378   8.4071   0.8296   7.2967   1.1461   9.6295   1.2025  531.868   41.913  611.172   38.271 -79.30426 56.75671 
1 1 1    8   16   18 o  1345.58   34.429   45.540   2.2178   43.569   2.6592   50.043   4.0197  1299.97   39.787  1391.19   56.200 -91.22021 68.85806 
1 1 1    8   16   20 o  776.997   35.257   16.051   1.3191   14.216   2.2365   17.029   1.6334  741.252   58.686  812.742   39.091 -71.48914 70.51353 
1 1 1    8   16   22 o  666.206   28.489   11.510   0.9687   13.025   1.3643   9.9700   1.3756  710.806   37.333  621.606   43.043 89.19995 56.97711 
1 1 1    8   16   24 o  1347.23   28.055   46.820   1.9430   45.857   2.7389   47.796   2.7569  1333.26   39.957  1361.21   39.394 -27.95166 56.11082 
1 1 1    8   16   26 o  1187.21   34.162   36.012   1.9781   37.807   3.4209   35.110   2.4244  1208.14   55.076  1166.29   40.433 41.84888 68.32392 
1 1 1    8   16   28 o  1391.05   28.403   49.980   2.0313   49.746   2.8705   50.216   2.8748  1387.76   40.233  1394.33   40.103 -6.568115 56.80578 
1 1 1    8   16   30 o  1461.01   40.424   55.574   3.0270   50.293   4.2597   60.961   4.3023  1390.09   59.603  1531.93   54.625 -141.8474 80.84852 
1 1 1    8   16   32 o  733.330   28.906   13.931   1.0896   14.290   1.5473   13.577   1.5347  742.762   40.518  723.897   41.237 18.86523 57.81183 
1 1 1    8   16   34 o  344.204   30.227   3.0960   0.5295   2.5839   0.7462   3.6154   0.7515  315.074   46.063  373.335   39.152 -58.26096 60.45364 
1 1 1    8   16   36 o  1437.23   29.055   53.757   2.1466   52.585   3.0289   54.940   3.0427  1421.33   41.449  1453.12   40.727 -31.78577 58.10979 
1 1 1    8   16   38 o  569.508   42.309   8.6410   1.2276   7.2899   1.7243   10.030   1.7483  522.840   64.145  616.176   55.187 -93.33606 84.61815 
1 1 1    8   16   40 o  423.498   38.251   4.8714   0.7711   5.0801   0.9421   4.4479   1.3422  440.298   41.620  406.699   64.191 33.59921 76.50266 
1 1 1    8   16   42 o  1083.33   35.632   30.402   1.8848   28.726   2.3011   33.818   3.2856  1044.14   42.865  1122.51   56.931 -78.36914 71.26408 
1 1 1    8   16   44 o  581.106   36.720   8.7849   1.0417   8.2237   1.2697   9.9401   1.8218  556.855   44.351  605.357   58.535 -48.50232 73.43947 
1 1 1    8   16   46 o  274.791   42.635   2.2120   0.5680   2.4324   0.6961   1.7727   0.9827  302.080   44.820  247.502   72.542 54.57843 85.27068 
1 1 1    8   16   48 f  309.810   42.938   2.7911   0.6176   2.9456   0.7467   2.4566   1.0987  331.878   43.764  287.742   73.887 44.13538 85.87521 
1 1 1    8   16   50 o  283.399   42.662   2.4119   0.5814   2.6658   0.7142   1.9133   1.0010  314.446   44.176  252.352   72.998 62.09331 85.32412 
1 1 1    8   16   52 o  415.547   36.700   4.7135   0.6735   4.6328   0.7750   4.9627   1.3614  416.399   36.199  414.695   63.852 1.703461 73.39962 
1 1 1    8   16   54 o  341.110   43.146   3.4303   0.6858   3.4305   0.8339   3.4299   1.2057  351.947   46.085  330.273   72.954 21.67407 86.29126 
1 1 1    8   16   56 o  118.723   39.391   0.3768   0.2805   0.3768   0.2805   0.0000   0.0000  118.723   39.391  ?   ?       ?      ? 
1 1 1    8   17    1 o  1968.67   43.026  101.818   4.0831  103.507   4.9995   98.435   7.0756  1998.08   48.668  1939.26   70.967 58.81763 86.05201 
1 1 1    8   17    3 o  1346.39   70.906   47.437   4.9082   0.0000   0.0000   47.437   4.9082  ?   ?   1346.39   70.906      ?      ? 
1 1 1    8   17    5 o  229.722   47.247   1.4166   0.5394   0.0000   0.0000   1.4166   0.5394  ?   ?   229.722   47.247      ?      ? 
1 1 1    8   17    7 o  2219.44   40.264  128.576   4.5601  121.832   6.7689  134.180   6.1705  2164.28   60.833  2274.60   52.765 -110.3252 80.52790 
1 1 1    8   17    9 o  1437.56   33.660   52.727   2.4142   50.539   3.0370   56.485   3.9794  1398.58   42.237  1476.53   52.421 -77.95361 67.31963 
1 1 1    8   17   11 o  559.763   29.061   8.0853   0.8352   8.0433   1.1502   8.1322   1.2147  558.280   40.074  561.245   42.097 -2.965149 58.12162 
1 1 1    8   17   13 o  1886.69   28.583   91.882   2.7675   92.934   3.8129   90.709   4.0233  1898.33   39.067  1875.04   41.735 23.28638 57.16686 
1 1 1    8   17   15 o  1088.49   28.316   30.440   1.5805   27.555   2.1696   33.701   2.3071  1033.68   40.826  1143.30   39.249 -109.6239 56.63219 
1 1 1    8   17   17 o  2366.30   36.006  146.098   3.9882  148.253   4.7635  141.045   7.2936  2398.18   38.634  2334.41   60.771 63.77051 72.01163 
1 1 1    8   17   19 o  492.938   34.655   6.2208   0.8427   6.4641   1.4186   6.0881   1.0476  500.026   55.183  485.850   41.939 14.17538 69.31093 
1 1 1    8   17   21 o  1195.97   28.229   36.941   1.7332   38.410   2.4205   35.394   2.4828  1220.55   38.573  1171.39   41.227 49.15393 56.45793 
1 1 1    8   17   23 o  1617.47   28.124   67.462   2.3373   64.227   3.2729   70.829   3.3390  1577.83   40.346  1657.11   39.192 -79.28088 56.24773 
1 1 1    8   17   25 o  1056.83   34.853   29.122   1.7838   28.162   3.0663   29.613   2.1931  1042.45   57.212  1071.20   39.821 -28.74768 69.70575 
1 1 1    8   17   27 o  658.054   34.286   10.938   1.1058   10.361   1.3551   12.088   1.9132  633.290   41.618  682.819   54.498 -49.52875 68.57190 
1 1 1    8   17   29 o  587.174   36.202   9.1718   1.0148   9.6110   1.2426   8.2922   1.7586  609.853   39.632  564.496   60.595 45.35718 72.40432 
1 1 1    8   17   31 o  539.765   28.883   7.5437   0.8014   7.3498   1.1276   7.7417   1.1391  532.724   41.170  546.805   40.521 -14.08160 57.76569 
1 1 1    8   17   33 o  606.265   29.278   9.5695   0.9092   10.408   1.2776   8.7088   1.2942  633.563   39.222  578.967   43.479 54.59570 58.55623 
1 1 1    8   17   35 o  656.575   29.423   11.247   0.9891   12.400   1.3974   10.090   1.4001  690.804   39.345  622.346   43.758 68.45740 58.84524 
1 1 1    8   17   37 o  795.925   38.143   17.616   1.4292   14.117   2.4373   19.449   1.7643  727.878   65.129  863.972   39.720 -136.0948 76.28528 
1 1 1    8   17   39 o  431.556   43.511   4.8839   0.9654   4.8839   0.9654   0.0000   0.0000  431.556   43.511  ?   ?       ?      ? 
1 1 1    8   17   41 o  707.235   43.008   13.491   1.5561   15.120   2.2184   11.913   2.1834  751.076   57.450  663.393   64.017 87.68231 86.01604 
1 1 1    8   17   43 o  821.191   37.137   18.173   1.4714   18.382   1.8038   17.756   2.5435  834.322   42.052  808.059   61.224 26.26306 74.27435 
1 1 1    8   17   45 o  579.296   35.982   8.4508   1.0270   7.1405   1.2525   11.139   1.7941  516.951   47.126  641.641   54.386 -124.6904 71.96366 
1 1 1    8   17   47 o  642.340   38.544   11.429   1.1852   11.816   1.4537   10.661   2.0467  665.979   42.456  618.701   64.344 47.27856 77.08872 
1 1 1    8   17   49 o  323.037   46.429   2.8193   0.7711   2.8193   0.7711   0.0000   0.0000  323.037   46.429  ?   ?       ?      ? 
1 1 1    8   17   51 o  669.114   37.126   12.516   1.0903   12.642   1.2600   12.141   2.1756  689.013   35.568  649.215   65.180 39.79797 74.25265 
1 1 1    8   17   53 o  175.359   39.465   0.8968   0.3967   0.9990   0.4812   0.6803   0.7005  186.129   49.450  164.589   61.519 21.53941 78.92975 
1 1 1    8   17   55 o  267.747   36.903   1.9292   0.4491   1.7373   0.5231   2.4668   0.8756  251.485   40.461  284.010   61.726 -32.52486 73.80506 
1 1 1    8   18    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   18    2 o  306.305   63.954   2.5326   0.9746   0.0000   0.0000   2.5326   0.9746  ?   ?   306.305   63.954      ?      ? 
1 1 1    8   18    4 o  1058.83   42.906   28.770   2.3079   31.538   3.6093   26.856   3.0017  1100.72   63.779  1016.95   57.411 83.77020 85.81261 
1 1 1    8   18    6 o  1877.04   35.315   91.571   3.3530   93.234   4.3898   89.240   5.1951  1898.87   44.965  1855.21   54.467 43.65332 70.62943 
1 1 1    8   18    8 o  1866.79   34.555   90.437   3.2243   91.448   4.1176   88.836   5.1840  1881.70   42.562  1851.88   54.448 29.81677 69.10965 
1 1 1    8   18   10 o  1793.83   29.388   82.989   2.7093   80.154   3.7796   85.986   3.8857  1762.31   41.715  1825.35   41.405 -63.04248 58.77562 
1 1 1    8   18   12 f  1590.83   28.983   65.327   2.3665   66.191   3.2659   64.372   3.4338  1602.09   39.651  1579.57   42.283 22.51538 57.96560 
1 1 1    8   18   14 f  325.372   29.262   2.7382   0.4875   2.8356   0.6677   2.6270   0.7135  331.642   39.162  319.102   43.489 12.54041 58.52349 
1 1 1    8   18   16 o  1550.45   28.321   61.965   2.2546   61.707   3.1073   62.251   3.2765  1547.16   39.064  1553.74   41.017 -6.578979 56.64259 
1 1 1    8   18   18 o  1275.22   40.913   42.086   2.6729   42.303   3.6362   41.832   3.9425  1279.13   55.291  1271.30   60.319 7.832031 81.82653 
1 1 1    8   18   20 o  1062.02   28.383   29.129   1.5472   30.028   2.1493   28.162   2.2290  1079.17   38.738  1044.87   41.493 34.29919 56.76584 
1 1 1    8   18   22 o  503.357   29.080   6.6051   0.7441   7.5437   1.0354   5.6025   1.0701  540.892   37.232  465.821   44.681 75.07062 58.16067 
1 1 1    8   18   24 o  2011.51   34.249  103.721   3.3697  107.495   5.7755  101.774   4.1491  2037.30   55.140  1985.71   40.641 51.58936 68.49895 
1 1 1    8   18   26 o  1114.31   34.275   31.637   1.8574   30.654   2.2668   33.644   3.2405  1089.50   40.468  1139.12   55.331 -49.62183 68.55001 
1 1 1    8   18   28 o  466.777   29.211   5.6263   0.7002   5.2536   0.9750   6.0231   1.0062  450.784   42.068  482.769   40.539 -31.98401 58.42178 
1 1 1    8   18   30 o  362.058   37.177   3.3917   0.6561   3.4636   1.1281   3.3549   0.8065  364.292   60.233  359.824   43.595 4.468018 74.35392 
1 1 1    8   18   32 o  1181.26   28.841   36.205   1.7509   37.156   2.4685   35.242   2.4839  1197.05   40.110  1165.47   41.454 31.57654 57.68210 
1 1 1    8   18   34 o  628.037   29.211   10.265   0.9415   9.5442   1.3294   10.991   1.3335  605.641   42.694  650.433   39.878 -44.79150 58.42117 
1 1 1    8   18   36 o  789.772   29.202   16.263   1.1850   15.584   1.6717   16.948   1.6801  773.004   42.063  806.541   40.517 -33.53705 58.40372 
1 1 1    8   18   38 o  1072.52   35.132   29.179   1.8421   26.872   2.2418   33.974   3.2323  1012.96   43.047  1132.09   55.534 -119.1326 70.26414 
1 1 1    8   18   40 o  533.114   44.893   7.7741   1.1840   10.335   1.7014   5.3689   1.6488  623.323   53.090  442.905   72.408 180.4185 89.78582 
1 1 1    8   18   42 o  310.125   38.358   2.3796   0.5741   1.7597   0.7011   3.6413   1.0002  251.401   55.707  368.850   52.745 -117.4490 76.71593 
1 1 1    8   18   44 o  255.096   47.125   1.8774   0.6347   2.2681   0.8812   1.4561   0.9150  282.901   62.274  227.291   70.746 55.61035 94.24931 
1 1 1    8   18   46 o  350.779   40.130   3.4266   0.6595   3.4764   0.8093   3.3281   1.1377  361.152   43.588  340.406   67.394 20.74557 80.26070 
1 1 1    8   18   48 o  378.296   62.474   4.0020   1.2151   4.0020   1.2151   0.0000   0.0000  378.296   62.474  ?   ?       ?      ? 
1 1 1    8   18   50 o  337.820   50.110   3.4194   0.8435   3.9265   1.2049   2.9322   1.1812  365.783   66.521  309.857   74.961 55.92523 100.2208 
1 1 1    8   18   52 o  291.891   38.959   2.0759   0.4954   1.7040   0.5617   3.3771   1.0507  245.859   46.135  337.923   62.791 -92.06447 77.91743 
1 1 1    8   18   54 o  201.751   37.902   1.1213   0.3621   1.0265   0.4193   1.3993   0.7179  189.401   43.915  214.102   61.788 -24.70157 75.80424 
1 1 1    8   19    1 o  1363.60   33.636   48.063   2.3568   50.337   3.3844   45.921   3.2838  1394.96   47.190  1332.24   47.943 62.72034 67.27150 
1 1 1    8   19    3 o  1777.76   29.799   81.675   2.7061   81.987   3.6313   81.285   4.0583  1782.07   39.634  1773.45   44.509 8.628662 59.59833 
1 1 1    8   19    5 o  1059.99   31.897   28.988   1.7344   29.664   2.5513   28.407   2.3650  1071.31   46.320  1048.66   43.866 22.64880 63.79499 
1 1 1    8   19    7 o  834.747   31.100   18.055   1.3299   16.957   1.9240   19.058   1.8404  810.188   46.189  859.307   41.658 -49.11896 62.19999 
1 1 1    8   19    9 o  367.190   32.075   3.5451   0.5874   2.5519   0.8277   4.5529   0.8338  314.196   51.239  420.184   38.596 -105.9874 64.14902 
1 1 1    8   19   11 o  1963.93   29.396   99.472   2.9669   98.934   4.1335  100.042   4.2611  1958.54   41.050  1969.31   42.086 -10.76819 58.79111 
1 1 1    8   19   13 o  838.620   29.059   18.133   1.2508   18.085   1.7191   18.187   1.8233  837.513   39.924  839.727   42.234 -2.214294 58.11738 
1 1 1    8   19   15 o  2065.84   28.581  110.126   3.0290  111.458   4.1630  108.627   4.4155  2079.35   38.941  2052.33   41.846 27.02222 57.16206 
1 1 1    8   19   17 o  246.876   45.982   1.6344   0.5872   1.6389   0.7738   1.6283   0.9018  246.796   61.266  246.957   68.584 -0.1615906 91.96333 
1 1 1    8   19   19 o  559.682   28.564   8.0578   0.8168   6.8794   1.1244   9.3744   1.1885  516.378   42.352  602.987   38.338 -86.60876 57.12722 
1 1 1    8   19   21 o  446.408   29.069   5.1269   0.6629   4.3673   0.9116   5.9792   0.9657  411.338   43.107  481.478   39.012 -70.13959 58.13868 
1 1 1    8   19   23 o  779.666   34.580   15.700   1.3204   15.777   2.2402   15.659   1.6346  780.446   55.831  778.887   40.818 1.559326 69.16080 
1 1 1    8   19   25 o  1868.46   34.018   88.510   3.0932   84.927   3.7700   95.892   5.4109  1813.51   40.435  1923.42   54.718 -109.9064 68.03651 
1 1 1    8   19   27 o  1244.36   28.506   40.039   1.8223   41.600   2.5661   38.451   2.5881  1269.00   39.332  1219.72   41.272 49.28198 57.01239 
1 1 1    8   19   29 o  1136.41   41.214   33.832   2.3859   39.192   3.3841   28.534   3.3643  1227.57   53.620  1045.26   62.604 182.3162 82.42781 
1 1 1    8   19   31 o  816.463   28.905   17.279   1.2130   16.687   1.6987   17.894   1.7326  802.150   41.190  830.775   40.564 -28.62439 57.81095 
1 1 1    8   19   33 o  1160.67   28.913   35.004   1.7250   34.032   2.4312   35.990   2.4478  1144.31   41.324  1177.03   40.450 -32.72534 57.82639 
1 1 1    8   19   35 o  912.985   29.157   21.727   1.3658   20.002   1.9190   23.498   1.9444  875.831   42.616  950.139   39.805 -74.30743 58.31438 
1 1 1    8   19   37 o  306.278   45.269   2.5815   0.7030   3.1749   0.9905   1.9790   0.9980  346.272   55.639  266.284   71.423 79.98737 90.53719 
1 1 1    8   19   39 o  999.999   37.567   27.339   1.7942   28.917   2.2084   24.274   3.0775  1050.29   40.897  949.704   63.028 100.5886 75.13370 
1 1 1    8   19   41 f  1299.01   29.573   44.461   1.9746   45.529   2.7918   43.393   2.7931  1315.01   41.294  1283.00   42.343 32.00146 59.14532 
1 1 1    8   19   43 o  765.138   37.137   15.686   1.3773   15.583   1.6881   15.891   2.3818  767.010   42.809  763.266   60.696 3.744263 74.27407 
1 1 1    8   19   45 o  209.865   39.471   1.2928   0.4380   1.5218   0.5513   0.9006   0.7214  234.623   47.338  185.107   63.174 49.51535 78.94210 
1 1 1    8   19   47 o  336.478   73.728   3.3471   1.2402   3.3471   1.2402   0.0000   0.0000  336.478   73.728  ?   ?       ?      ? 
1 1 1    8   19   49 o  643.202   45.757   11.774   1.5009   10.051   2.0920   13.602   2.1546  590.506   68.908  695.899   60.221 -105.3932 91.51422 
1 1 1    8   19   51 o  112.103   30.874   0.2135   0.2481   0.1452   0.3097   0.3357   0.4144   99.368   39.835  124.838   47.180 -25.46950 61.74738 
1 1 1    8   19   53 o  158.828   37.604   0.6910   0.3458   0.6890   0.4173   0.6953   0.6173  156.031   47.650  161.626   58.189 -5.595184 75.20892 
1 1 1    8   19   55 o  266.381   41.226   2.1237   0.4793   2.1133   0.5449   2.1592   1.0077  277.672   38.168  255.089   73.085 22.58327 82.45111 
1 1 1    8   20    0 o  1850.15   48.270   88.815   4.5687   89.132   6.6735   88.536   6.2677  1852.74   70.289  1847.56   66.177 0.000000 0.000000 
1 1 1    8   20    2 o  796.573   27.995   16.458   1.1402   14.873   1.6405   17.940   1.5859  759.083   42.035  834.064   36.985 -74.98120 55.98953 
1 1 1    8   20    4 o  1408.79   29.800   51.315   2.1405   51.965   2.8596   50.487   3.2281  1419.33   39.187  1398.26   44.905 21.07813 59.59917 
1 1 1    8   20    6 o  1045.15   31.815   28.194   1.7054   28.297   2.5028   28.105   2.3300  1046.79   46.505  1043.52   43.429 3.260986 63.63000 
1 1 1    8   20    8 o  1150.04   30.761   34.146   1.8171   33.669   2.6167   34.591   2.5252  1142.17   44.562  1157.91   42.418 -15.74353 61.52279 
1 1 1    8   20   10 o  1144.46   29.974   33.789   1.7634   33.108   2.4949   34.470   2.4927  1132.88   42.834  1156.03   41.941 -23.15454 59.94865 
1 1 1    8   20   12 o  744.724   29.830   14.370   1.1368   15.493   1.5791   13.162   1.6379  775.208   39.621  714.240   44.604 60.96777 59.66027 
1 1 1    8   20   14 o  343.257   30.236   3.0528   0.5308   3.2167   0.7278   2.8665   0.7760  353.215   40.077  333.298   45.284 19.91678 60.47116 
1 1 1    8   20   16 o  1869.15   42.306   90.178   4.0359   88.434   5.3689   92.443   6.1198  1849.13   56.474  1889.18   63.007 -40.04944 84.61248 
1 1 1    8   20   18 o  716.005   28.906   13.255   1.0609   13.724   1.4610   12.733   1.5429  729.534   38.952  702.475   42.721 27.05920 57.81291 
1 1 1    8   20   20 o  1162.94   28.498   34.872   1.7024   34.457   2.3531   35.327   2.4660  1155.77   39.601  1170.11   40.991 -14.34888 56.99534 
1 1 1    8   20   22 o  478.415   38.983   6.4325   0.8707   4.4991   1.4401   7.5463   1.0931  416.045   67.327  540.786   39.316 -124.7410 77.96554 
1 1 1    8   20   24 o  964.366   34.937   24.234   1.6223   24.552   1.9818   23.588   2.8247  975.185   39.527  953.547   57.619 21.63782 69.87389 
1 1 1    8   20   26 o  1505.36   28.457   58.516   2.2010   55.667   3.0753   61.509   3.1516  1467.72   40.754  1543.01   39.728 -75.29224 56.91397 
1 1 1    8   20   28 o  381.650   43.068   4.3076   0.7169   4.9872   0.8702   2.8718   1.2648  439.169   38.541  324.130   77.032 115.0393 86.13593 
1 1 1    8   20   30 o  1156.34   28.771   34.657   1.7078   32.118   2.3916   37.299   2.4394  1112.86   41.801  1199.81   39.546 -86.95203 57.54299 
1 1 1    8   20   32 o  909.810   29.071   21.518   1.3565   19.656   1.9052   23.432   1.9318  869.511   42.619  950.109   39.548 -80.59760 58.14190 
1 1 1    8   20   34 o  773.334   29.259   15.575   1.1633   15.548   1.6436   15.601   1.6467  772.675   41.375  773.992   41.382 -1.317383 58.51790 
1 1 1    8   20   36 o  636.190   42.393   10.755   1.3863   10.809   1.9438   10.699   1.9777  638.048   59.256  634.332   60.641 3.715942 84.78536 
1 1 1    8   20   38 o  1152.09   29.644   34.816   1.7548   36.157   2.4802   33.472   2.4832  1174.77   41.064  1129.42   42.764 45.34717 59.28766 
1 1 1    8   20   40 o  498.822   36.322   6.2517   0.8949   8.0306   1.5511   5.3641   1.0956  547.685   55.085  449.960   47.360 97.72565 72.64474 
1 1 1    8   20   42 o  481.593   31.596   6.2299   0.7609   4.5683   1.0658   7.9575   1.0867  413.295   50.157  549.892   38.439 -136.5977 63.19268 
1 1 1    8   20   44 o  361.871   38.067   3.3401   0.6682   2.9666   0.8031   4.1802   1.2046  333.099   46.893  390.642   59.978 -57.54337 76.13393 
1 1 1    8   20   46 o  337.207   48.429   3.3455   0.8331   1.8035   1.1649   4.9599   1.1920  248.033   80.155  426.381   54.375 -178.3480 96.85792 
1 1 1    8   20   48 f  689.520   38.614   13.183   1.2796   13.342   1.5662   12.862   2.2190  704.558   43.237  674.482   63.990 30.07660 77.22807 
1 1 1    8   20   50 o  391.933   49.879   5.3654   0.8668   6.7233   1.0630   2.6719   1.4972  499.092   41.428  284.774   90.748 214.3178 99.75701 
1 1 1    8   20   52 o  419.534   38.934   4.7393   0.7957   4.2138   0.9617   5.8799   1.4168  389.452   48.032  449.615   61.290 -60.16321 77.86883 
1 1 1    8   20   54 o  219.410   39.036   1.1484   0.4391   0.5954   0.5209   2.5059   0.8162  149.375   53.486  289.445   56.873 -140.0696 78.07276 
1 1 1    8   21    1 o  1249.20   30.828   40.047   1.9538   38.942   2.5480   41.624   3.0440  1228.75   40.333  1269.65   46.633 -40.89502 61.65539 
1 1 1    8   21    3 o  1223.38   27.779   38.628   1.7442   37.960   2.5299   39.233   2.4079  1213.16   40.562  1233.60   37.965 -20.43945 55.55737 
1 1 1    8   21    5 o  410.584   30.064   4.3696   0.6283   4.5093   0.8394   4.1917   0.9474  418.194   39.043  402.975   45.728 15.21863 60.12859 
1 1 1    8   21    7 o  1540.36   38.480   60.454   2.8264   63.710   5.1122   59.020   3.3920  1568.25   63.405  1512.47   43.621 55.77405 76.96098 
1 1 1    8   21    9 o  837.125   30.805   18.064   1.3220   19.995   1.9015   16.257   1.8393  880.502   42.005  793.748   45.071 86.75366 61.61050 
1 1 1    8   21   11 o  1453.34   30.028   54.498   2.2429   55.723   3.1558   53.247   3.1884  1469.94   41.758  1436.75   43.163 33.18201 60.05645 
1 1 1    8   21   13 o  917.783   29.490   21.734   1.3900   21.957   1.9270   21.491   2.0069  922.774   40.618  912.791   42.765 9.982544 58.98011 
1 1 1    8   21   15 o  1646.93   38.710   70.495   2.9027   70.924   3.3987   69.339   5.5803  1658.47   39.860  1635.39   66.370 23.09045 77.41919 
1 1 1    8   21   17 o  1582.65   41.783   64.622   3.3998   0.0000   0.0000   64.622   3.3998  ?   ?   1582.65   41.783      ?      ? 
1 1 1    8   21   19 o  783.616   28.861   15.883   1.1590   16.451   1.5951   15.248   1.6871  798.623   38.848  768.609   42.693 30.01398 57.72192 
1 1 1    8   21   21 o  586.873   35.955   9.0572   1.0311   8.4186   1.7210   9.4148   1.2879  569.847   58.741  603.900   41.479 -34.05310 71.90984 
1 1 1    8   21   23 o  799.078   33.506   15.797   1.3108   14.332   1.5939   18.858   2.3039  744.905   41.620  853.250   52.519 -108.3452 67.01111 
1 1 1    8   21   25 o  1068.07   28.642   29.465   1.5724   28.989   2.1934   29.969   2.2553  1059.23   40.278  1076.92   40.734 -17.68835 57.28476 
1 1 1    8   21   27 o  667.718   34.004   10.617   1.1025   8.8877   1.3204   14.598   2.0037  585.799   43.842  749.637   51.990 -163.8375 68.00778 
1 1 1    8   21   29 o  946.578   35.851   23.685   1.6433   22.221   2.7994   24.454   2.0297  921.797   59.069  971.359   40.644 -49.56207 71.70114 
1 1 1    8   21   31 o  277.685   32.634   2.0450   0.4471   1.5562   0.6165   2.5874   0.6495  239.656   51.565  315.714   40.014 -76.05794 65.26893 
1 1 1    8   21   33 o  659.131   29.464   11.294   0.9962   10.266   1.3812   12.409   1.4382  627.690   42.799  690.573   40.507 -62.88287 58.92830 
1 1 1    8   21   35 o  685.933   42.411   12.490   1.4955   12.296   2.1161   12.683   2.1139  680.428   60.489  691.437   59.464 -11.00885 84.82285 
1 1 1    8   21   37 f  1437.51   29.268   54.126   2.1628   54.680   3.0445   53.562   3.0729  1445.19   40.975  1429.82   41.802 15.37219 58.53519 
1 1 1    8   21   39 o  616.421   43.519   10.266   1.3746   9.2848   1.9330   11.271   1.9552  585.262   64.240  647.580   58.726 -62.31812 87.03744 
1 1 1    8   21   41 o  613.091   30.283   9.9380   0.9544   9.9131   1.3400   9.9637   1.3598  612.416   42.557  613.766   43.093 -1.349243 60.56532 
1 1 1    8   21   43 o  302.603   32.603   2.4465   0.5063   2.5813   0.7109   2.3078   0.7213  311.476   44.391  293.729   47.763 17.74631 65.20629 
1 1 1    8   21   45 o  245.583   34.346   1.6752   0.4232   1.0642   0.5882   2.3310   0.6094  194.755   55.850  296.412   39.990 -101.6576 68.69101 
1 1 1    8   21   47 o  210.991   49.884   1.2552   0.5326   1.2552   0.5326   0.0000   0.0000  210.991   49.884  ?   ?       ?      ? 
1 1 1    8   21   49 o  358.761   49.001   3.8307   0.8801   4.3002   1.2177   3.3171   1.2735  389.467   60.811  328.054   76.853 61.41364 98.00201 
1 1 1    8   21   51 o  202.728   41.949   1.2372   0.4497   1.3216   0.5338   1.0307   0.8348  214.400   49.441  191.055   67.783 23.34570 83.89841 
1 1 1    8   21   53 o  222.320   41.319   1.4047   0.4491   1.2447   0.5368   1.7782   0.8200  205.759   50.998  238.880   65.026 -33.12175 82.63901 
1 1 1    8   22    0 o  260.053   63.325   2.3021   0.7773   1.9294   1.1301   2.6368   1.0709  230.305   95.734  289.801   82.917 0.000000 0.000000 
1 1 1    8   22    2 o  965.700   28.084   24.078   1.3924   23.204   1.9986   24.902   1.9409  948.560   40.982  982.840   38.410 -34.28027 56.16793 
1 1 1    8   22    4 o  353.410   28.663   3.2228   0.5200   3.1807   0.7544   3.2608   0.7177  351.178   41.782  355.643   39.250 -4.465088 57.32603 
1 1 1    8   22    6 o  523.630   32.454   7.0418   0.8716   7.6206   1.2872   6.5518   1.1843  543.395   46.075  503.866   45.719 39.52908 64.90818 
1 1 1    8   22    8 o  571.781   31.927   8.4531   0.9354   8.2021   1.3686   8.6730   1.2813  563.701   47.224  579.862   42.979 -16.16016 63.85415 
1 1 1    8   22   10 o  1742.65   30.702   78.410   2.7482   75.699   3.9227   81.024   3.8513  1712.88   44.544  1772.43   42.264 -59.55151 61.40354 
1 1 1    8   22   12 o  686.219   30.169   12.146   1.0643   12.092   1.4937   12.201   1.5167  684.695   42.433  687.744   42.895 -3.049133 60.33718 
1 1 1    8   22   14 o  2407.50   39.191  149.779   4.3186  149.632   5.0630  150.171   8.2735  2408.66   40.885  2406.34   66.875 2.314697 78.38289 
1 1 1    8   22   16 o  2120.52   35.663  116.917   3.7164  113.775   6.2070  118.673   4.6401  2096.46   57.587  2144.59   42.084 -48.13965 71.32521 
1 1 1    8   22   18 o  766.390   29.086   15.114   1.1444   14.338   1.5683   15.998   1.6736  745.416   40.924  787.364   41.344 -41.94800 58.17251 
1 1 1    8   22   20 o  1040.84   35.152   28.111   1.7996   27.702   3.0095   28.339   2.2453  1033.98   56.613  1047.70   41.683 -13.71960 70.30303 
1 1 1    8   22   22 o  2164.90   34.115  120.256   3.5906  118.215   4.3942  124.355   6.2284  2139.70   39.945  2190.11   55.315 -50.41260 68.22975 
1 1 1    8   22   24 o  1683.82   28.686   73.205   2.4819   71.687   3.4393   74.854   3.5850  1665.71   40.161  1701.93   40.971 -36.21765 57.37203 
1 1 1    8   22   26 o  1389.42   28.750   49.944   2.0528   49.926   2.8606   49.963   2.9476  1389.30   40.049  1389.55   41.259 -0.2530518 57.50029 
1 1 1    8   22   28 o  408.442   37.012   4.3903   0.7403   4.1951   1.2386   4.4988   0.9233  400.437   60.165  416.448   43.126 -16.01068 74.02439 
1 1 1    8   22   30 o  765.487   29.303   15.226   1.1526   15.474   1.6116   14.966   1.6491  772.030   40.602  758.943   42.264 13.08722 58.60686 
1 1 1    8   22   32 o  1296.34   28.990   43.754   1.9308   45.371   2.7208   42.113   2.7405  1320.84   40.065  1271.85   41.911 48.99451 57.98090 
1 1 1    8   22   34 o  424.608   35.905   4.5854   0.7598   5.3662   1.2741   4.1547   0.9464  450.929   54.959  398.288   46.219 52.64133 71.81014 
1 1 1    8   22   36 o  564.743   29.949   8.3503   0.8692   8.0010   1.2139   8.7177   1.2450  552.539   42.733  576.948   41.973 -24.40918 59.89833 
1 1 1    8   22   38 o  606.548   36.401   9.2829   1.0697   8.3906   1.2863   11.284   1.9262  564.262   44.338  648.834   57.742 -84.57257 72.80108 
1 1 1    8   22   40 o  648.284   30.354   11.104   1.0100   10.285   1.4147   11.955   1.4424  623.414   44.140  673.155   41.677 -49.74127 60.70700 
1 1 1    8   22   42 f  649.012   31.238   11.240   1.0272   13.649   1.4747   8.9699   1.4316  718.813   39.904  579.211   48.073 139.6022 62.47669 
1 1 1    8   22   44 o  307.205   32.429   2.5320   0.5092   2.5947   0.6896   2.4567   0.7550  312.141   42.971  302.268   48.581 9.873016 64.85846 
1 1 1    8   22   46 f  367.331   49.155   3.9521   0.8961   5.1812   1.2785   2.7651   1.2564  433.174   57.407  301.489   79.807 131.6849 98.30939 
1 1 1    8   22   48 o  365.441   50.646   3.9807   0.9271   4.2784   1.2624   3.6321   1.3660  387.765   63.320  343.117   79.061 44.64853 101.2919 
1 1 1    8   22   50 o  522.579   39.810   7.5729   1.0083   7.2640   1.2286   8.2105   1.7648  514.208   46.472  530.950   64.651 -16.74213 79.61987 
1 1 1    8   22   52 o  110.407   30.584   0.2233   0.2577   0.3454   0.3204   0.0000   0.4335  118.173   41.988  102.640   44.482 15.53292 61.16881 
1 1 1    8   23    1 o  1780.57   31.074   81.321   2.8063   79.036   3.6562   84.596   4.3780  1750.77   40.619  1810.36   47.037 -59.59106 62.14778 
1 1 1    8   23    3 o  598.742   28.516   9.2454   0.8769   9.1952   1.2673   9.2915   1.2146  597.140   41.281  600.344   39.350 -3.204468 57.03122 
1 1 1    8   23    5 o  2337.37   29.983  140.908   3.5794  140.904   4.7958  140.914   5.3782  2337.77   39.902  2336.97   44.762 0.8005371 59.96511 
1 1 1    8   23    7 o  1894.59   32.140   92.718   3.1211   91.379   4.5778   93.882   4.2665  1881.49   47.324  1907.70   43.500 -26.20898 64.27950 
1 1 1    8   23    9 o  1208.37   31.240   37.637   1.9390   38.473   2.8157   36.882   2.6740  1221.07   44.852  1195.68   43.498 25.38440 62.48033 
1 1 1    8   23   11 o  1170.80   30.674   35.354   1.8459   36.522   2.6349   34.230   2.5867  1189.80   43.075  1151.81   43.681 37.99329 61.34705 
1 1 1    8   23   13 o  2750.62   39.682  193.110   5.0283  189.895   5.8961  201.684   9.6288  2713.00   42.271  2788.25   67.170 -75.25195 79.36395 
1 1 1    8   23   15 o  857.660   36.382   19.102   1.5309   18.730   2.5712   19.306   1.9054  850.410   58.809  864.910   42.850 -14.49957 72.76394 
1 1 1    8   23   17 o  1471.62   29.240   55.878   2.2095   55.616   3.0453   56.170   3.2106  1468.11   40.346  1475.13   42.333 -7.016724 58.47995 
1 1 1    8   23   19 o  2322.31   39.738  139.734   4.7444  140.614   6.7480  138.874   6.6718  2329.49   56.344  2315.13   56.053 14.35962 79.47653 
1 1 1    8   23   21 o  1099.38   34.237   31.078   1.8330   30.666   2.2493   31.893   3.1628  1089.73   40.147  1109.02   55.470 -19.29236 68.47442 
1 1 1    8   23   23 o  276.208   31.079   1.9713   0.4411   1.9043   0.6131   2.0433   0.6352  271.343   43.950  281.074   43.953 -9.731110 62.15709 
1 1 1    8   23   25 o  1896.74   28.845   93.129   2.8104   94.312   3.9072   91.860   4.0453  1909.53   39.798  1883.95   41.765 25.57849 57.69078 
1 1 1    8   23   27 f  783.622   41.763   15.994   1.6791   14.746   2.3007   17.417   2.4562  750.915   59.594  816.329   58.524 -65.41443 83.52566 
1 1 1    8   23   29 o  1598.31   29.027   66.413   2.3822   69.179   3.3364   63.537   3.4023  1632.80   39.744  1563.83   42.318 68.97314 58.05496 
1 1 1    8   23   31 o  283.739   31.383   2.0981   0.4577   2.0624   0.6401   2.1354   0.6549  281.284   44.260  286.195   44.505 -4.910889 62.76661 
1 1 1    8   23   33 o  964.384   36.959   25.097   1.7118   22.592   2.9226   26.405   2.1120  922.472   61.623  1006.30   40.823 -83.82404 73.91859 
1 1 1    8   23   35 o  332.655   36.632   2.6933   0.5850   1.9700   0.7153   4.1544   1.0167  268.399   53.714  396.910   49.824 -128.5111 73.26466 
1 1 1    8   23   37 o  132.798   32.867   0.4050   0.2782   0.3033   0.3770   0.5265   0.4122  121.426   45.180  144.171   47.745 -22.74516 65.73299 
1 1 1    8   23   39 o  566.566   41.439   9.2856   1.0871   6.9674   1.8532   10.502   1.3423  501.881   71.821  631.251   41.360 -129.3695 82.87860 
1 1 1    8   23   41 o  746.902   30.091   14.789   1.1536   13.757   1.6238   15.841   1.6391  719.875   43.874  773.929   41.194 -54.05420 60.18234 
1 1 1    8   23   43 o  204.533   36.313   1.1729   0.3832   1.3324   0.5408   1.0120   0.5430  218.662   49.285  190.403   53.343 28.25824 72.62550 
1 1 1    8   23   45 o  218.031   44.083   1.3399   0.5349   1.8069   0.7733   0.9116   0.7406  250.665   60.658  185.396   63.982 65.26892 88.16550 
1 1 1    8   23   47 o  455.423   31.848   5.6093   0.7454   5.6118   1.0397   5.6066   1.0692  455.864   44.362  454.981   45.708 0.8823853 63.69653 
1 1 1    8   23   49 o  367.360   39.314   3.5935   0.7002   3.2157   0.8425   4.4367   1.2588  341.907   47.931  392.813   62.329 -50.90567 78.62709 
1 1 1    8   23   51 o  494.013   43.302   7.1418   0.9961   7.1797   1.1922   7.0544   1.8126  509.536   45.510  478.491   73.681 31.04434 86.60324 
1 1 1    8   23   53 o  167.562   38.166   0.7733   0.3729   0.5615   0.4802   1.0950   0.5917  144.770   51.403  190.354   56.429 -45.58359 76.33147 
1 1 1    8   24    0 o  937.810   50.174   23.082   2.3841   22.812   3.2803   23.384   3.4712  932.365   69.312  943.255   72.566 -0.000000 0.000000 
1 1 1    8   24    2 o  384.205   32.751   3.7963   0.6427   3.6977   0.8561   3.9235   0.9728  378.587   43.985  389.823   48.536 -11.23560 65.50127 
1 1 1    8   24    4 o  1087.27   28.265   30.656   1.5708   28.047   2.2799   33.013   2.1672  1042.77   42.526  1131.77   37.245 -88.99744 56.53044 
1 1 1    8   24    6 o  905.040   30.025   20.993   1.3906   19.813   1.8609   22.485   2.0925  876.515   41.295  933.565   43.596 -57.04987 60.04912 
1 1 1    8   24    8 o  1343.45   32.213   46.713   2.2162   44.863   3.2426   48.335   3.0359  1318.14   47.848  1368.76   43.141 -50.62048 64.42516 
1 1 1    8   24   10 o  2504.34   31.305  162.167   4.0222  155.496   5.8012  168.342   5.5815  2454.27   45.976  2554.42   42.500 -100.1482 62.61038 
1 1 1    8   24   12 o  381.871   43.604   3.6184   0.7373   3.3837   0.8508   4.3263   1.4774  362.012   45.712  401.731   74.268 -39.71848 87.20894 
1 1 1    8   24   14 o  1842.78   36.361   87.774   3.2852   87.912   5.5558   87.701   4.0736  1842.27   58.657  1843.29   42.985 -1.019287 72.72116 
1 1 1    8   24   16 o  1522.05   35.924   59.164   2.6904   62.506   4.5716   57.393   3.3278  1553.26   57.247  1490.84   43.416 62.41113 71.84853 
1 1 1    8   24   18 o  1050.90   40.347   28.641   2.1777   28.307   3.1406   28.950   3.0223  1044.78   58.469  1057.02   55.614 -12.24463 80.69427 
1 1 1    8   24   20 o  453.151   30.443   5.2840   0.7040   4.4440   0.9634   6.2465   1.0313  414.550   45.202  491.752   40.790 -77.20233 60.88585 
1 1 1    8   24   22 o  469.819   30.056   5.7101   0.7250   5.7726   1.0034   5.6418   1.0488  472.587   41.298  467.052   43.679 5.534637 60.11129 
1 1 1    8   24   24 o  755.456   29.621   14.836   1.1454   16.005   1.5941   13.589   1.6469  786.650   39.414  724.261   44.229 62.38965 59.24275 
1 1 1    8   24   26 f  1728.48   42.075   78.302   3.7235   80.249   5.0803   76.041   5.4733  1753.27   56.360  1703.70   62.487 49.57520 84.14902 
1 1 1    8   24   28 o  384.995   30.823   3.8566   0.6057   3.2742   0.8428   4.4783   0.8709  354.649   46.225  415.341   40.786 -60.69205 61.64573 
1 1 1    8   24   30 o  289.287   35.656   2.3671   0.5051   4.2216   0.7360   0.7158   0.6945  403.449   35.482  175.126   61.858 228.3229 71.31158 
1 1 1    8   24   32 o  439.202   45.888   5.9574   0.8643   3.4331   1.4656   7.3032   1.0701  348.865   82.932  529.539   39.307 -180.6742 91.77514 
1 1 1    8   24   34 o  557.799   37.319   8.3037   1.0001   8.4564   1.2226   7.9950   1.7387  568.492   41.830  547.106   61.814 21.38586 74.63726 
1 1 1    8   24   36 o  1041.96   29.806   28.497   1.5958   27.204   2.2296   29.855   2.2850  1017.49   42.621  1066.44   41.676 -48.94263 59.61100 
1 1 1    8   24   38 o  455.531   45.021   5.6341   1.0530   5.2651   1.4552   6.0398   1.5257  439.622   64.382  471.440   62.947 -31.81769 90.04131 
1 1 1    8   24   40 o  380.189   31.675   3.8475   0.6177   4.0183   0.8590   3.6645   0.8889  389.455   42.903  370.923   46.610 18.53177 63.34954 
1 1 1    8   24   42 o  324.736   35.426   2.9189   0.5537   1.9599   0.7694   3.9490   0.7974  263.292   58.370  386.180   40.163 -122.8885 70.85278 
1 1 1    8   24   44 o  471.580   46.722   6.9545   0.9586   4.4708   1.6057   8.3300   1.1950  384.047   83.689  559.113   41.570 -175.0667 93.44490 
1 1 1    8   24   46 o  318.538   34.526   2.7857   0.5499   2.4180   0.7597   3.1904   0.7970  293.341   52.291  343.736   45.099 -50.39496 69.05267 
1 1 1    8   24   48 o  796.002   39.413   17.960   1.5136   17.110   2.5817   18.406   1.8684  769.088   65.293  822.916   44.162 -53.82806 78.82557 
1 1 1    8   24   50 o  378.358   47.587   4.5857   0.8104   5.1016   0.9874   3.5210   1.4185  430.727   44.588  325.989   84.083 104.7377 95.17333 
1 1 1    8   24   52 o  190.499   43.418   1.1294   0.4956   1.3345   0.6095   0.7288   0.8517  210.592   55.506  170.407   66.780 40.18492 86.83604 
1 1 1    8   25    1 o  1438.03   41.586   54.292   2.9267   56.209   3.6574   50.878   4.8803  1475.41   48.216  1400.66   67.770 74.74329 83.17215 
1 1 1    8   25    3 o  1454.29   31.033   54.520   2.2985   54.203   3.0447   54.940   3.5048  1449.74   40.850  1458.84   46.729 -9.092285 62.06681 
1 1 1    8   25    5 o  669.176   28.210   11.505   0.9682   12.695   1.4138   10.453   1.3285  701.693   39.191  636.658   40.588 65.03442 56.42066 
1 1 1    8   25    7 o  1419.03   29.873   52.000   2.1631   52.376   2.8937   51.525   3.2565  1425.16   39.494  1412.89   44.830 12.26721 59.74509 
1 1 1    8   25    9 o  1800.13   31.862   83.709   2.9428   82.761   4.2882   84.553   4.0458  1790.23   46.591  1810.04   43.476 -19.80615 63.72491 
1 1 1    8   25   11 o  2335.94   47.214  141.832   5.6172  143.155   7.4718  140.114   8.5185  2350.08   61.840  2321.80   71.362 28.27173 94.42893 
1 1 1    8   25   13 o  440.574   38.667   5.0270   0.8300   5.0145   1.4208   5.0335   1.0227  439.676   62.852  441.472   45.058 -1.795410 77.33445 
1 1 1    8   25   15 o  2213.16   36.626  125.316   3.9628  131.338   6.8162  122.241   4.8706  2250.74   58.904  2175.58   43.545 75.15869 73.25202 
1 1 1    8   25   17 o  409.079   45.221   4.5024   0.9072   3.7789   1.3514   5.0960   1.2240  374.608   72.792  443.551   53.675 -68.94330 90.44135 
1 1 1    8   25   19 o  576.816   30.283   8.6270   0.8951   9.0839   1.2395   8.1291   1.2940  592.981   40.657  560.650   44.891 32.33136 60.56562 
1 1 1    8   25   21 o  1263.68   29.381   41.343   1.9044   42.279   2.6234   40.300   2.7690  1279.11   39.892  1248.25   43.147 30.85779 58.76226 
1 1 1    8   25   23 o  702.635   35.249   12.493   1.2309   14.069   2.0680   11.629   1.5318  735.348   54.699  669.921   44.475 65.42725 70.49845 
1 1 1    8   25   25 o  619.208   38.527   9.9697   1.1075   9.9277   1.3097   10.075   2.0749  618.853   41.164  619.564   65.138 -0.7113647 77.05497 
1 1 1    8   25   27 o  2100.27   29.178  114.571   3.1478  115.198   4.3678  113.893   4.5407  2106.73   40.326  2093.82   42.181 12.91187 58.35560 
1 1 1    8   25   29 o  428.904   32.618   4.9262   0.6943   6.2703   0.9711   3.5206   0.9931  491.318   38.444  366.489   52.706 124.8288 65.23683 
1 1 1    8   25   31 o  445.622   37.889   5.2288   0.8318   5.2263   1.3889   5.2302   1.0387  444.013   60.841  447.231   45.172 -3.217194 75.77722 
1 1 1    8   25   33 o  333.394   40.917   3.0426   0.6345   3.1177   0.7725   2.8868   1.1124  344.971   43.554  321.818   69.281 23.15311 81.83360 
1 1 1    8   25   35 o  659.936   30.802   11.505   1.0384   12.856   1.4603   10.122   1.4769  700.311   40.560  619.561   46.367 80.75006 61.60308 
1 1 1    8   25   37 o  225.394   47.484   1.4119   0.5888   1.3783   0.7885   1.4542   0.8851  222.341   64.924  228.447   69.310 -6.105988 94.96858 
1 1 1    8   25   39 o  377.978   31.752   3.7973   0.6139   3.3334   0.8590   4.2817   0.8778  353.713   47.235  402.244   42.445 -48.53104 63.50359 
1 1 1    8   25   41 f  480.106   31.118   6.1208   0.7657   5.4847   1.0576   6.8217   1.1101  453.434   45.366  506.778   42.606 -53.34341 62.23605 
1 1 1    8   25   43 o  492.375   39.444   6.6732   0.9426   6.4905   1.6046   6.7695   1.1648  482.027   64.749  502.723   45.066 -20.69650 78.88833 
1 1 1    8   25   45 o  277.383   35.013   2.1174   0.4849   1.7468   0.6659   2.5355   0.7074  248.038   53.772  306.728   44.859 -58.69077 70.02654 
1 1 1    8   25   47 o  168.492   45.005   0.6712   0.5172   0.6661   0.6422   0.6805   0.8724  162.879   59.243  174.105   67.765 -11.22597 90.00978 
1 1 1    8   25   49 o  847.614   32.066   19.772   1.3877   17.040   1.9398   22.635   1.9860  784.104   48.119  911.123   42.397 -127.0199 64.13216 
1 1 1    8   25   51 f  296.781   46.985   2.6275   0.6356   2.5329   0.7358   2.9056   1.2613  300.336   47.655  293.226   80.990 7.110291 93.97012 
1 1 1    8   26    0 o  2137.23   49.288  118.018   5.3938  127.429   7.8631  109.654   7.4127  2217.87   69.111  2056.60   70.292 0.000000 0.000000 
1 1 1    8   26    2 o  1736.23   31.418   77.871   2.7658   78.206   3.6274   77.406   4.2746  1741.29   40.519  1731.18   48.027 10.10242 62.83590 
1 1 1    8   26    4 o  1455.08   28.335   54.698   2.1154   52.920   3.0608   56.324   2.9268  1432.23   41.567  1477.94   38.519 -45.71814 56.67045 
1 1 1    8   26    6 o  960.890   27.965   23.855   1.3783   23.096   1.9993   24.543   1.9027  946.166   41.099  975.613   37.934 -29.44653 55.92986 
1 1 1    8   26    8 o  2065.04   43.764  111.093   4.2429  111.921   5.0696  109.159   7.7519  2081.49   47.373  2048.60   73.600 32.88940 87.52858 
1 1 1    8   26   10 o  399.946   52.822   4.2838   1.0520   4.6264   1.4193   3.8659   1.5673  422.189   65.386  377.703   82.977 44.48563 105.6434 
1 1 1    8   26   12 o  1753.63   43.524   79.414   3.9240   0.0000   0.0000   79.414   3.9240  ?   ?   1753.63   43.524      ?      ? 
1 1 1    8   26   14 o  1160.29   43.023   35.577   2.5148   30.685   3.7842   39.446   3.3655  1086.24   67.760  1234.34   53.033 -148.1079 86.04650 
1 1 1    8   26   16 o  1502.43   35.039   58.703   2.5975   59.445   3.2574   57.406   4.3046  1517.02   41.764  1487.85   56.274 29.16052 70.07837 
1 1 1    8   26   18 o  845.711   30.310   18.576   1.3116   20.094   1.8238   16.951   1.8875  881.934   40.223  809.488   45.354 72.44586 60.62054 
1 1 1    8   26   20 o  1240.40   29.615   39.766   1.8866   39.292   2.6028   40.291   2.7386  1232.76   41.068  1248.04   42.680 -15.28625 59.22947 
1 1 1    8   26   22 o  782.499   29.775   15.908   1.1937   16.746   1.6514   14.991   1.7275  804.447   39.929  760.552   44.180 43.89508 59.55032 
1 1 1    8   26   24 o  397.787   38.426   3.5537   0.7112   2.8782   0.8198   5.6084   1.4297  332.686   47.927  462.888   60.076 -130.2021 76.85103 
1 1 1    8   26   26 o  1307.79   36.026   45.054   2.3037   43.308   3.8722   46.011   2.8662  1284.73   58.624  1330.85   41.890 -46.11853 72.05247 
1 1 1    8   26   28 o  575.036   29.863   8.6029   0.8810   7.8732   1.2288   9.3750   1.2640  549.740   43.475  600.332   40.952 -50.59210 59.72548 
1 1 1    8   26   30 o  1939.67   36.317   99.531   3.4377   96.651   5.8134  101.080   4.2630  1911.04   59.169  1968.29   42.126 -57.25549 72.63305 
1 1 1    8   26   32 o  589.373   38.316   9.4100   1.0736   9.8168   1.3103   8.5788   1.8731  612.680   41.596  566.066   64.360 46.61475 76.63226 
1 1 1    8   26   34 o  329.708   33.622   2.8751   0.5659   2.4630   0.7918   3.3054   0.8091  304.955   50.503  354.461   44.400 -49.50586 67.24496 
1 1 1    8   26   36 o  740.445   37.522   14.130   1.3310   13.275   1.5937   16.103   2.4203  709.215   43.707  771.676   61.004 -62.46051 75.04495 
1 1 1    8   26   38 o  127.841   33.729   0.3402   0.2985   0.3956   0.4156   0.2812   0.4289  131.986   47.710  123.697   47.690 8.289093 67.45785 
1 1 1    8   26   40 o  413.850   32.210   4.6051   0.6787   5.1840   0.9445   3.9873   0.9758  442.218   41.544  385.482   49.236 56.73682 64.42077 
1 1 1    8   26   42 o  559.302   31.738   8.3452   0.9041   6.9076   1.2423   9.9638   1.3182  506.826   47.674  611.777   41.909 -104.9510 63.47595 
1 1 1    8   26   44 o  120.946   31.822   0.3093   0.2748   0.4669   0.3377   0.0000   0.4730  133.270   43.163  108.622   46.771 24.64786 63.64405 
1 1 1    8   26   46 o  268.090   43.136   2.3160   0.5726   2.7450   0.6897   1.3640   1.0275  319.097   42.038  217.082   75.338 102.0151 86.27249 
1 1 1    8   26   48 o   99.373   29.753   0.0462   0.2609   0.0000   0.3469   0.1064   0.3960   92.961   40.039  105.785   44.020 -12.82408 59.50525 
1 1 1    8   26   50 o  647.947   32.285   11.700   1.0707   12.835   1.5104   10.554   1.5179  682.324   43.056  613.571   48.118 68.75330 64.56944 
1 1 1    8   27    1 o  767.427   35.058   15.250   1.3803   14.266   1.9661   16.206   1.9384  742.815   51.482  792.038   47.603 -49.22302 70.11697 
1 1 1    8   27    3 o  678.498   28.918   11.863   1.0078   12.618   1.4515   11.159   1.4003  699.362   40.369  657.634   41.416 41.72723 57.83599 
1 1 1    8   27    5 o  2425.89   28.169  151.693   3.5093  154.256   5.1042  149.396   4.8326  2445.13   40.603  2406.64   39.057 38.49316 56.33873 
1 1 1    8   27    7 o  2136.72   41.700  117.524   3.8606  116.858   4.3980  119.761   8.0597  2128.15   40.196  2145.28   73.074 -17.12964 83.40002 
1 1 1    8   27    9 o  868.942   51.201   20.128   2.2305   23.008   2.9976   16.556   3.3387  941.721   61.913  796.164   81.566 145.5567 102.4026 
1 1 1    8   27   11 o  1183.92   40.227   36.186   2.2406   36.669   4.1110   35.981   2.6724  1187.61   67.329  1180.22   44.043 7.389160 80.45435 
1 1 1    8   27   13 f  1075.60   42.862   29.995   2.3427   30.259   3.6044   29.803   3.0826  1078.92   64.979  1072.29   55.915 6.623779 85.72484 
1 1 1    8   27   15 o  522.021   35.489   6.9419   0.9280   6.5752   1.1725   7.5566   1.5182  504.234   45.228  539.809   54.703 -35.57452 70.97853 
1 1 1    8   27   17 f  1178.19   30.301   35.845   1.8337   33.768   2.5478   38.076   2.6413  1142.75   43.366  1213.63   42.331 -70.88220 60.60106 
1 1 1    8   27   19 o  1543.55   30.088   61.769   2.3824   63.962   3.2996   59.380   3.4435  1572.63   40.809  1514.47   44.225 58.16614 60.17680 
1 1 1    8   27   21 o  1183.63   29.838   36.289   1.8131   36.218   2.4963   36.369   2.6377  1182.65   41.055  1184.61   43.310 -1.968750 59.67664 
1 1 1    8   27   23 o  1148.66   39.640   34.930   2.0766   35.496   2.4420   33.452   3.9466  1170.08   40.594  1127.24   68.099 42.84326 79.28034 
1 1 1    8   27   25 f  939.177   36.455   23.301   1.6811   22.134   2.7910   23.966   2.1059  918.131   59.128  960.223   42.658 -42.09143 72.90948 
1 1 1    8   27   27 o  2264.06   29.488  133.471   3.4288  134.745   4.7557  132.092   4.9483  2276.02   40.641  2252.10   42.736 23.91748 58.97552 
1 1 1    8   27   29 o  785.003   38.631   16.996   1.4458   13.967   2.4295   18.657   1.7991  724.179   65.252  845.828   41.371 -121.6486 77.26170 
1 1 1    8   27   31 o  844.194   36.584   18.948   1.4879   19.223   1.8213   18.396   2.5798  857.456   41.315  830.932   60.387 26.52362 73.16757 
1 1 1    8   27   33 o  709.431   31.016   13.321   1.1210   15.195   1.5751   11.397   1.5956  761.601   40.228  657.261   47.219 104.3401 62.03135 
1 1 1    8   27   35 o  482.673   31.735   6.1478   0.7811   5.1563   1.0790   7.2393   1.1321  441.022   47.588  524.325   41.997 -83.30276 63.46904 
1 1 1    8   27   37 o  917.562   37.256   22.477   1.6742   23.005   2.8433   22.197   2.0713  919.902   60.120  915.222   44.019 4.679993 74.51185 
1 1 1    8   27   39 o  561.588   31.232   8.3826   0.8995   7.6102   1.2521   9.2063   1.2931  534.263   45.583  588.913   42.707 -54.64935 62.46366 
1 1 1    8   27   41 o  170.552   36.471   0.7990   0.3490   0.8942   0.4831   0.6952   0.5046  179.320   50.341  161.785   52.787 17.53545 72.94299 
1 1 1    8   27   43 o  390.139   37.870   4.0076   0.7361   3.5526   0.9150   4.8420   1.2391  361.872   49.181  418.405   57.600 -56.53351 75.73972 
1 1 1    8   27   45 o  399.982   32.713   4.3713   0.6629   3.5213   0.9289   5.2532   0.9462  358.079   50.457  441.885   41.647 -83.80588 65.42514 
1 1 1    8   27   47 f  207.748   37.692   1.2981   0.5060   0.0000   0.8154   2.1108   0.6452  137.786   60.338  277.710   45.188 -139.9248 75.38311 
1 1 1    8   27   49 f  287.484   37.059   2.3954   0.5300   2.5937   0.7199   2.1607   0.7832  305.770   45.791  269.197   58.280 36.57315 74.11782 
1 1 1    8   27   51 o  360.420   35.301   3.6942   0.6469   3.0286   0.8815   4.4709   0.9522  323.058   53.073  397.782   46.561 -74.72406 70.60229 
1 1 1    8   28    0 o  371.348   66.944   4.2703   1.1037   4.8812   1.5152   3.5798   1.6109  413.436   79.869  329.260  107.457 -0.000000 0.000000 
1 1 1    8   28    2 o  1228.11   31.503   38.244   1.9677   34.304   2.5631   43.900   3.0706  1152.64   43.251  1303.58   45.816 -150.9473 63.00602 
1 1 1    8   28    4 o  626.528   33.315   9.9030   1.0560   8.8695   1.3543   11.506   1.6867  585.971   44.954  667.084   49.181 -81.11365 66.63035 
1 1 1    8   28    6 o  797.230   44.866   16.128   1.7413   17.650   3.0493   15.392   2.1212  823.374   72.033  771.086   53.508 52.28796 89.73239 
1 1 1    8   28    8 o  981.611   45.125   24.897   2.2773   0.0000   0.0000   24.897   2.2773  ?   ?   981.611   45.125      ?      ? 
1 1 1    8   28   10 o  185.771   45.595   0.8091   0.4999   0.6650   0.9528   0.8637   0.5871  188.632   71.477  182.911   56.627 5.721939 91.19046 
1 1 1    8   28   12 o  257.231   40.320   1.7501   0.5164   1.5037   0.6812   2.0828   0.7917  236.107   56.810  278.355   57.231 -42.24757 80.64005 
1 1 1    8   28   14 o  731.118   31.495   13.825   1.1837   13.788   1.6851   13.860   1.6632  730.130   44.891  732.106   44.187 -1.975891 62.98904 
1 1 1    8   28   16 o  690.258   31.288   12.324   1.1102   12.113   1.5560   12.544   1.5846  684.222   44.232  696.294   44.264 -12.07263 62.57606 
1 1 1    8   28   18 o  1650.36   30.349   70.491   2.5737   69.787   3.5746   71.250   3.7087  1641.96   42.345  1658.76   43.488 -16.80579 60.69825 
1 1 1    8   28   20 o  1232.50   30.223   39.378   1.9129   39.415   2.6429   39.337   2.7722  1233.36   41.679  1231.65   43.779 1.713867 60.44636 
1 1 1    8   28   22 o  245.395   34.950   1.5954   0.4326   1.1932   0.5942   2.0491   0.6310  209.897   54.559  280.893   43.697 -70.99562 69.90072 
1 1 1    8   28   24 o  400.452   36.726   3.9347   0.7324   5.5584   1.2191   3.0177   0.9162  461.197   51.415  339.707   52.456 121.4901 73.45134 
1 1 1    8   28   26 o  592.313   30.430   9.1594   0.9247   9.6102   1.2896   8.6823   1.3266  607.660   41.278  576.966   44.722 30.69409 60.86028 
1 1 1    8   28   28 o  499.695   37.836   6.4386   0.9278   7.0370   1.5954   6.1329   1.1405  515.277   60.223  484.113   45.821 31.16415 75.67268 
1 1 1    8   28   30 o  345.315   43.699   3.6549   0.6886   4.5482   0.8636   2.0958   1.1409  417.249   40.258  273.381   77.575 143.8679 87.39875 
1 1 1    8   28   32 o  644.790   30.631   10.916   1.0135   10.034   1.4130   11.851   1.4546  617.586   44.502  671.995   42.103 -54.40881 61.26267 
1 1 1    8   28   34 o  109.474   31.443   0.1107   0.2767   0.0000   0.3643   0.2618   0.4256   96.713   41.328  122.235   47.400 -25.52136 62.88660 
1 1 1    8   28   36 o  1106.69   36.519   31.965   1.9865   35.726   3.4154   30.043   2.4420  1148.94   57.820  1064.45   44.623 84.48914 73.03713 
1 1 1    8   28   38 o  609.556   31.069   9.8549   0.9722   9.1463   1.3419   10.638   1.4104  586.279   44.519  632.833   43.349 -46.55463 62.13717 
1 1 1    8   28   40 o  327.659   35.677   2.9661   0.5666   2.0847   0.7865   3.9173   0.8170  271.376   58.121  383.941   41.392 -112.5658 71.35320 
1 1 1    8   28   42 o  803.599   45.155   18.183   1.8477   15.442   2.6017   20.972   2.6246  736.996   68.663  870.203   58.663 -133.2065 90.31063 
1 1 1    8   28   44 o  567.307   32.180   8.7443   0.9355   9.4143   1.3135   8.0545   1.3327  590.842   43.240  543.772   47.671 47.06958 64.36000 
1 1 1    8   28   46 o  493.215   50.692   7.2812   1.2740   7.7236   1.7383   6.7679   1.8726  514.932   65.660  471.499   77.248 43.43286 101.3835 
1 1 1    8   28   48 o  195.552   37.607   1.1080   0.3929   0.8617   0.5373   1.3909   0.5759  172.960   54.276  218.145   52.071 -45.18471 75.21497 
1 1 1    8   28   50 o  223.480   36.757   1.5563   0.4396   2.0778   0.5817   0.8618   0.6713  274.184   41.265  172.777   60.840 101.4070 73.51395 
1 1 1    8   29    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   29    3 o  1891.48   73.095   93.226   7.1082   0.0000   0.0000   93.226   7.1082  ?   ?   1891.48   73.095      ?      ? 
1 1 1    8   29    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   29    7 o  999.961   58.737   25.944   3.0197   0.0000   0.0000   25.944   3.0197  ?   ?   999.961   58.737      ?      ? 
1 1 1    8   29    9 o  1117.59   37.005   32.091   2.1059   30.534   2.7653   34.240   3.2494  1086.05   49.525  1149.14   54.999 -63.08997 74.01077 
1 1 1    8   29   11 o  1560.97   32.288   62.853   2.5875   66.854   3.7799   59.325   3.5496  1607.57   45.735  1514.37   45.591 93.19836 64.57688 
1 1 1    8   29   13 o  2031.87   31.616  106.745   3.3018  109.633   4.7349  104.012   4.6066  2058.59   44.738  2005.15   44.686 53.44531 63.23183 
1 1 1    8   29   15 o  885.065   31.317   20.283   1.4244   19.596   2.0128   20.973   2.0161  869.946   45.003  900.184   43.562 -30.23804 62.63359 
1 1 1    8   29   17 o  800.391   31.147   16.608   1.2810   16.855   1.7905   16.349   1.8335  806.606   43.176  794.176   44.905 12.43036 62.29435 
1 1 1    8   29   19 o  1447.24   30.526   54.289   2.2704   52.986   3.1552   55.687   3.2695  1429.32   42.937  1465.16   43.404 -35.83643 61.05293 
1 1 1    8   29   21 o  684.922   30.674   12.168   1.0791   11.477   1.4958   12.918   1.5584  664.618   43.775  705.227   42.981 -40.60889 61.34802 
1 1 1    8   29   23 o  910.784   45.494   22.033   2.0867   22.643   2.7163   21.154   3.2594  928.861   56.879  892.707   71.017 36.15460 90.98753 
1 1 1    8   29   25 o  319.268   33.336   2.6638   0.5472   2.6725   0.7775   2.6553   0.7701  319.766   47.296  318.770   46.992 0.9960022 66.67149 
1 1 1    8   29   27 o  378.563   40.920   3.8161   0.7321   3.9196   1.2667   3.7642   0.8971  377.941   67.677  379.185   46.018 -1.243744 81.84035 
1 1 1    8   29   29 o  747.317   36.022   14.667   1.3142   14.518   1.6197   14.953   2.2483  744.785   42.299  749.849   58.320 -5.064392 72.04460 
1 1 1    8   29   31 o  939.449   30.138   23.166   1.4547   22.924   2.0180   23.428   2.0990  934.636   41.996  944.263   43.237 -9.626892 60.27547 
1 1 1    8   29   33 o  528.837   31.867   7.4221   0.8584   8.6208   1.2206   6.2491   1.2074  572.374   41.477  485.301   48.391 87.07343 63.73386 
1 1 1    8   29   35 o  556.197   45.938   8.4700   1.3127   8.2039   1.8147   8.7621   1.9011  547.296   64.492  565.098   65.436 -17.80194 91.87543 
1 1 1    8   29   37 o  195.617   35.562   1.0657   0.3585   1.0759   0.4826   1.0531   0.5356  196.842   48.094  194.391   52.399 2.450531 71.12411 
1 1 1    8   29   39 o  583.748   31.545   9.0767   0.9402   7.7189   1.2953   10.588   1.3668  536.543   46.958  630.953   42.135 -94.41083 63.09036 
1 1 1    8   29   41 o  157.807   39.345   0.5741   0.4088   0.9047   0.6060   0.2980   0.5538  181.257   57.734  134.357   53.468 46.89967 78.68990 
1 1 1    8   29   43 o  229.817   36.792   1.5183   0.4243   1.6711   0.5736   1.3337   0.6304  244.432   47.352  215.202   56.324 29.23073 73.58375 
1 1 1    8   29   45 o  666.062   47.415   12.976   1.6169   13.302   2.2136   12.602   2.3674  679.311   63.383  652.813   70.536 26.49762 94.82967 
1 1 1    8   29   47 o  132.761   33.161   0.4231   0.2772   0.3273   0.3527   0.5780   0.4482  118.927   43.804  146.595   49.796 -27.66772 66.32111 
1 1 1    8   29   49 o  344.993   37.654   3.4806   0.6456   3.7854   0.8875   3.1381   0.9409  366.755   47.070  323.232   58.785 43.52307 75.30763 
1 1 1    8   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   30    2 o  752.279   67.140   14.733   2.5968   0.0000   0.0000   14.733   2.5968  ?   ?   752.279   67.140      ?      ? 
1 1 1    8   30    4 o  1052.78   43.517   29.316   2.1700   27.449   3.8518   30.183   2.6265  1025.46   73.060  1080.10   47.298 -54.64014 87.03375 
1 1 1    8   30    6 o  267.884   40.493   2.0094   0.5543   1.1478   0.8265   2.7139   0.7474  211.819   67.418  323.949   44.874 -112.1306 80.98679 
1 1 1    8   30    8 o  995.276   30.821   25.596   1.5673   25.463   2.1005   25.763   2.3543  992.670   41.157  997.881   45.890 -5.210571 61.64200 
1 1 1    8   30   10 o  559.789   44.644   8.0675   1.1767   7.9355   1.4009   8.3839   2.1680  553.472   49.233  566.106   74.489 -12.63403 89.28857 
1 1 1    8   30   12 o  1028.02   32.441   27.417   1.7108   26.408   2.4743   28.342   2.3679  1009.55   47.672  1046.49   44.011 -36.93646 64.88127 
1 1 1    8   30   14 o  1996.67   31.700  103.311   3.2531  102.678   4.6514  103.916   4.5514  1990.47   45.453  2002.87   44.199 -12.40332 63.39999 
1 1 1    8   30   16 o  508.955   32.111   6.7234   0.8399   6.9123   1.1833   6.5315   1.1923  516.251   44.581  501.659   46.227 14.59119 64.22168 
1 1 1    8   30   18 o  1575.67   30.901   64.435   2.5028   63.633   3.5015   65.272   3.5789  1565.72   43.498  1585.61   43.902 -19.88672 61.80171 
1 1 1    8   30   20 o  670.627   31.305   11.676   1.0692   9.6386   1.4728   13.946   1.5548  608.370   47.087  732.884   41.264 -124.5139 62.60927 
1 1 1    8   30   22 o  473.551   46.380   5.8427   1.1134   5.4336   1.4393   6.4521   1.7568  453.995   61.663  493.106   69.297 -39.11133 92.76047 
1 1 1    8   30   24 o  367.717   32.917   3.5489   0.6188   3.7129   0.8449   3.3590   0.9090  377.298   43.554  358.135   49.368 19.16296 65.83381 
1 1 1    8   30   26 o  143.825   38.319   0.3039   0.3453   0.7159   0.6956   0.1691   0.3978  174.618   61.884  113.032   45.208 61.58551 76.63760 
1 1 1    8   30   28 o  888.488   36.873   21.095   1.5910   21.618   1.9686   20.110   2.7016  908.753   42.135  868.223   60.524 40.53076 73.74638 
1 1 1    8   30   30 o  245.780   36.511   1.6351   0.4579   2.2423   0.6657   1.0899   0.6308  291.929   44.352  199.631   58.010 92.29762 73.02258 
1 1 1    8   30   32 o  262.246   37.021   1.8950   0.4811   1.9285   0.6639   1.8581   0.6980  265.252   50.528  259.241   54.121 6.011230 74.04173 
1 1 1    8   30   34 f  709.578   45.305   13.586   1.6328   10.988   2.1861   16.865   2.4556  631.641   67.319  787.516   60.649 -155.8752 90.60981 
1 1 1    8   30   36 o  476.329   31.951   6.0586   0.7798   6.5274   1.0934   5.5733   1.1125  495.957   42.880  456.701   47.380 39.25638 63.90298 
1 1 1    8   30   38 o  435.034   32.802   5.0589   0.7330   4.7889   1.0131   5.3554   1.0617  422.797   46.606  447.271   46.171 -24.47360 65.60447 
1 1 1    8   30   40 o  195.915   46.414   1.0462   0.5535   1.2059   0.7874   0.8903   0.7782  206.683   65.807  185.146   65.472 21.53612 92.82886 
1 1 1    8   30   42 f  191.782   36.029   1.0437   0.3620   1.1210   0.5100   0.9653   0.5138  198.884   49.946  184.680   51.940 14.20364 72.05830 
1 1 1    8   30   44 o  585.398   45.723   10.440   1.1964   11.289   1.4315   8.4749   2.1790  645.081   43.162  525.716   80.618 119.3657 91.44515 
1 1 1    8   30   46 o  335.986   34.914   3.1464   0.6028   3.0719   0.8367   3.2268   0.8692  332.047   49.012  339.926   49.738 -7.879395 69.82861 
1 1 1    8   30   48 o  154.387   36.160   0.6520   0.3339   0.5233   0.4425   0.8222   0.5087  140.574   49.403  168.199   52.816 -27.62582 72.32025 
1 1 1    8   31    1 o  1240.56   35.373   39.903   2.2539   38.155   3.2029   41.618   3.1724  1213.36   51.344  1267.75   48.672 -54.39038 70.74693 
1 1 1    8   31    3 o  1419.99   32.175   52.409   2.3129   53.630   3.0381   50.726   3.5672  1440.61   41.020  1399.38   49.581 41.22632 64.35007 
1 1 1    8   31    5 f  386.385   31.337   3.9081   0.6149   3.3486   0.8939   4.4107   0.8472  359.588   48.350  413.182   39.880 -53.59351 62.67477 
1 1 1    8   31    7 o  385.672   30.256   3.8378   0.5985   4.2368   0.8675   3.4755   0.8266  404.812   41.683  366.532   43.866 38.27936 60.51214 
1 1 1    8   31    9 o  521.826   31.471   7.0358   0.8402   6.9172   1.1297   7.1826   1.2570  517.076   42.497  526.576   46.430 -9.499939 62.94197 
1 1 1    8   31   11 o  959.616   33.748   24.134   1.6467   20.737   2.3815   27.245   2.2793  893.479   51.843  1025.75   43.221 -132.2742 67.49644 
1 1 1    8   31   13 o  1183.09   32.396   36.352   1.9677   35.310   2.8332   37.323   2.7348  1166.35   47.248  1199.83   44.335 -33.47339 64.79128 
1 1 1    8   31   15 f  1070.56   32.172   29.788   1.7691   28.703   2.5238   30.835   2.4804  1051.10   46.703  1090.02   44.261 -38.92480 64.34452 
1 1 1    8   31   17 o  903.138   31.789   21.210   1.4724   19.326   2.0641   23.161   2.1010  861.939   46.577  944.337   43.274 -82.39734 63.57763 
1 1 1    8   31   19 o  695.689   31.648   12.579   1.1310   11.887   1.5701   13.325   1.6305  675.755   45.192  715.624   44.316 -39.86920 63.29502 
1 1 1    8   31   21 o  784.080   47.511   16.463   1.8618   17.059   2.3977   15.558   2.9549  805.216   57.917  762.944   75.332 42.27246 95.02259 
1 1 1    8   31   23 o  553.252   31.752   7.9943   0.9024   7.9763   1.2497   8.0139   1.3044  552.782   43.972  553.722   45.818 -0.9404297 63.50427 
1 1 1    8   31   25 o  691.612   40.994   13.207   1.3494   11.100   2.2897   14.328   1.6703  643.150   69.246  740.074   43.898 -96.92389 81.98766 
1 1 1    8   31   27 o  231.528   39.448   1.3703   0.4605   0.9723   0.5795   2.0522   0.7584  189.574   55.745  273.482   55.830 -83.90744 78.89554 
1 1 1    8   31   29 o  336.215   36.175   3.1413   0.5814   4.1344   0.8135   2.1050   0.8311  397.230   39.835  275.199   60.396 122.0305 72.34940 
1 1 1    8   31   31 o  657.435   31.297   11.442   1.0549   12.224   1.4781   10.630   1.5060  681.185   42.205  633.684   46.226 47.50153 62.59470 
1 1 1    8   31   33 o  402.571   48.104   5.0118   0.8365   5.6791   1.0013   3.4708   1.5217  463.605   42.011  341.538   86.551 122.0670 96.20843 
1 1 1    8   31   35 o  423.480   33.444   4.7818   0.7274   4.5754   1.0013   5.0124   1.0584  413.907   47.052  433.054   47.539 -19.14679 66.88722 
1 1 1    8   31   37 o  241.497   35.885   1.6287   0.4494   2.4797   0.6479   0.8394   0.6240  305.591   41.236  177.403   58.742 128.1880 71.77015 
1 1 1    8   31   39 o  496.674   46.388   6.8815   1.1632   8.7298   1.7202   5.3242   1.5789  561.425   59.595  431.923   71.104 129.5027 92.77510 
1 1 1    8   31   41 o  447.087   33.990   5.5016   0.7681   6.4645   1.0721   4.4861   1.1010  490.456   42.516  403.719   53.044 86.73621 67.98010 
1 1 1    8   31   43 o  346.033   39.637   3.5931   0.6401   5.2147   0.8979   1.9174   0.9127  440.379   39.658  251.686   68.640 188.6930 79.27312 
1 1 1    8   31   45 o  276.887   41.305   2.1889   0.5612   2.7149   0.8976   1.8512   0.7192  303.210   59.702  250.565   57.098 52.64531 82.61098 
1 1 1    8   31   47 o  179.628   37.055   0.9584   0.3941   1.3553   0.5277   0.4577   0.5928  215.802   48.714  143.453   55.851 72.34949 74.11083 
1 1 1    8   32    0 o  2096.31   50.509  114.403   5.4229  113.502   7.8451  115.228   7.5044  2087.69   73.295  2104.93   69.516 0.000000 0.000000 
1 1 1    8   32    2 o  810.896   35.568   17.050   1.4827   17.395   2.1146   16.717   2.0794  818.968   50.222  802.825   50.380 16.14270 71.13600 
1 1 1    8   32    4 o  1351.49   29.434   47.482   2.0345   42.839   2.9183   51.872   2.8379  1286.36   44.126  1416.61   38.965 -130.2493 58.86801 
1 1 1    8   32    6 o  900.503   29.240   20.980   1.3519   21.006   1.9637   20.957   1.8641  900.879   42.397  900.126   40.280 0.7536011 58.48086 
1 1 1    8   32    8 o  462.120   30.199   5.5467   0.7153   5.2140   1.0307   5.8558   0.9936  448.551   44.693  475.688   40.627 -27.13678 60.39868 
1 1 1    8   32   10 o  1249.82   33.491   40.474   2.1486   41.855   3.1470   39.267   2.9407  1269.54   48.214  1230.11   46.498 39.42957 66.98298 
1 1 1    8   32   12 o  393.517   34.801   3.9921   0.6940   5.0298   1.0317   3.1346   0.9379  440.141   45.593  346.895   52.590 93.24606 69.60204 
1 1 1    8   32   14 o  582.567   33.218   8.8154   0.9937   9.0457   1.4480   8.6104   1.3663  589.635   47.764  575.498   46.177 14.13678 66.43575 
1 1 1    8   32   16 o  260.426   36.907   1.8273   0.4843   2.5657   0.6990   1.1455   0.6716  314.196   43.271  206.657   59.800 107.5392 73.81335 
1 1 1    8   32   18 o  637.396   32.304   10.589   1.0569   11.391   1.5067   9.8119   1.4829  661.415   44.308  613.378   47.022 48.03687 64.60867 
1 1 1    8   32   20 o  445.514   55.364   5.7879   1.1613   6.8857   1.4906   4.0928   1.8523  511.546   56.679  379.481   95.122 132.0656 110.7276 
1 1 1    8   32   22 o  557.580   32.070   8.0896   0.9156   7.1404   1.2522   9.1802   1.3423  522.331   46.631  592.828   44.039 -70.49725 64.13933 
1 1 1    8   32   24 o  601.755   43.849   9.5697   1.3487   10.364   2.0455   8.9584   1.7939  623.038   63.858  580.472   60.109 42.56598 87.69857 
1 1 1    8   32   26 o  294.931   40.923   2.3817   0.5819   2.4395   0.7256   2.2774   0.9740  304.537   46.344  285.325   67.461 19.21185 81.84581 
1 1 1    8   32   28 o  825.687   31.240   17.997   1.3223   18.907   1.8349   17.014   1.9071  848.365   42.068  803.009   46.194 45.35645 62.47917 
1 1 1    8   32   30 o  558.926   31.926   8.3059   0.9119   9.0945   1.2698   7.4660   1.3104  587.512   42.038  530.341   48.061 57.17120 63.85210 
1 1 1    8   32   32 o  166.293   41.429   0.6946   0.4548   0.9456   0.5306   0.0000   0.8828  185.229   53.025  147.357   63.670 37.87184 82.85854 
1 1 1    8   32   34 o  313.284   44.521   2.8603   0.6746   2.3226   1.1050   3.1798   0.8518  281.812   74.961  344.756   48.057 -62.94482 89.04237 
1 1 1    8   32   36 o  170.145   37.502   0.7732   0.3661   0.6167   0.4995   0.9549   0.5381  155.025   52.568  185.264   53.500 -30.23962 75.00418 
1 1 1    8   32   38 o  846.877   44.011   19.971   1.9152   20.888   2.7513   19.109   2.6676  866.208   61.780  827.545   62.698 38.66364 88.02187 
1 1 1    8   32   40 o  698.056   32.440   13.204   1.1622   13.772   1.6235   12.608   1.6644  714.730   44.182  681.383   47.511 33.34723 64.87933 
1 1 1    8   32   42 o  326.132   37.676   3.0572   0.5927   4.0769   0.8426   2.0588   0.8338  388.350   42.203  263.914   62.426 124.4365 75.35289 
1 1 1    8   32   44 o  205.067   42.322   1.2805   0.5729   2.0304   0.7214   0.0000   0.9427  264.034   54.929  146.101   64.400 117.9325 84.64362 
1 1 1    8   32   46 o  552.394   33.911   8.5751   0.9616   8.8983   1.3435   8.2356   1.3768  564.680   46.277  540.108   49.582 24.57227 67.82273 
1 1 1    8   33    1 o  700.487   37.102   12.872   1.3149   10.214   1.8512   15.579   1.8681  626.038   57.514  774.935   46.888 -148.8972 74.20484 
1 1 1    8   33    3 o  1292.41   32.650   43.828   2.1294   46.389   2.8082   40.364   3.2664  1338.61   40.804  1246.22   50.981 92.39587 65.30003 
1 1 1    8   33    5 o  708.520   29.485   12.986   1.0732   13.475   1.5546   12.540   1.4835  721.218   41.926  695.822   41.468 25.39600 58.96943 
1 1 1    8   33    7 o  1193.14   28.945   36.839   1.7738   37.746   2.5776   36.023   2.4448  1206.94   41.539  1179.35   40.322 27.58716 57.89097 
1 1 1    8   33    9 o  337.833   31.193   2.9621   0.5417   2.9700   0.7708   2.9543   0.7616  338.269   44.318  337.398   43.907 0.8705444 62.38522 
1 1 1    8   33   11 o  1512.00   33.359   59.410   2.5898   60.504   3.7734   58.436   3.5609  1524.78   48.135  1499.21   46.199 25.56580 66.71797 
1 1 1    8   33   13 o  1013.91   32.857   26.734   1.7118   27.420   2.4730   26.103   2.3717  1026.29   46.870  1001.54   46.060 24.74780 65.71371 
1 1 1    8   33   15 o  861.014   33.255   19.436   1.4616   16.993   2.0844   21.799   2.0500  806.630   50.261  915.398   43.559 -108.7689 66.50951 
1 1 1    8   33   17 o  822.770   49.431   19.698   1.7638   21.698   2.0793   14.567   3.3305  912.491   44.322  733.049   88.371 179.4417 98.86299 
1 1 1    8   33   19 o  784.861   48.995   16.558   1.9268   17.081   2.4890   15.777   3.0436  803.894   60.223  765.828   77.301 38.06592 97.99079 
1 1 1    8   33   21 o  421.774   33.121   4.6444   0.7164   4.2168   0.9843   5.1261   1.0448  401.046   47.738  442.502   45.925 -41.45605 66.24171 
1 1 1    8   33   23 o  919.781   44.257   22.709   2.0700   21.633   3.1199   23.554   2.7666  897.361   67.624  942.201   57.113 -44.84003 88.51462 
1 1 1    8   33   25 o  902.934   31.562   21.463   1.4622   22.292   2.0321   20.574   2.1056  921.794   42.878  884.074   46.326 37.72003 63.12431 
1 1 1    8   33   27 o  1167.49   31.244   35.879   1.8743   35.096   2.5988   36.728   2.7059  1154.48   43.784  1180.51   44.583 -26.02747 62.48748 
1 1 1    8   33   29 o  470.517   33.324   5.8669   0.8054   5.5328   1.1217   6.2225   1.1572  456.495   47.795  484.539   46.451 -28.04349 66.64859 
1 1 1    8   33   31 o  734.500   44.856   15.443   1.4721   16.320   1.7386   13.220   2.7669  785.145   43.070  683.854   78.698 101.2903 89.71263 
1 1 1    8   33   33 o  665.614   37.984   11.833   1.2497   12.488   2.0945   11.471   1.5573  675.528   60.307  655.700   46.196 19.82794 75.96719 
1 1 1    8   33   35 o  923.557   31.726   22.824   1.5034   23.789   2.0941   21.798   2.1597  945.072   43.099  902.042   46.568 43.02924 63.45192 
1 1 1    8   33   37 f  153.906   39.115   0.5394   0.4272   0.0000   0.6887   0.8766   0.5445  129.875   56.177  177.937   54.443 -48.06229 78.23008 
1 1 1    8   33   39 o  899.876   32.129   21.923   1.4836   22.848   2.0681   20.942   2.1294  921.152   43.668  878.599   47.141 42.55267 64.25858 
1 1 1    8   33   41 o  277.793   38.095   2.2445   0.5270   3.1319   0.7473   1.3664   0.7434  340.227   42.722  215.359   63.085 124.8676 76.18988 
1 1 1    8   33   43 o  361.828   52.170   3.9253   0.9539   2.7029   1.2587   5.5745   1.4620  288.021   81.397  435.635   65.278 -147.6150 104.3391 
1 1 1    8   33   45 o  353.057   37.420   3.5707   0.6365   2.4364   0.8630   4.9243   0.9427  283.842   60.955  422.271   43.424 -138.4287 74.84034 
1 1 1    8   34    0 o  658.826   56.137   11.891   1.8023   10.692   2.6282   12.956   2.4762  622.422   86.998  695.229   70.971 0.000000 0.000000 
1 1 1    8   34    2 o  825.825   36.410   17.844   1.5350   15.452   2.1727   20.228   2.1689  769.564   54.915  882.085   47.825 -112.5211 72.82100 
1 1 1    8   34    4 o  636.998   32.849   10.412   1.0686   9.3806   1.4159   11.778   1.6290  600.890   45.831  673.106   47.072 -72.21613 65.69834 
1 1 1    8   34    6 o  1230.58   29.290   39.309   1.8505   38.667   2.6766   39.897   2.5612  1220.61   42.652  1240.55   40.156 -19.93225 58.58063 
1 1 1    8   34    8 o  1458.39   28.982   55.158   2.1706   55.690   3.1529   54.679   2.9927  1464.78   41.867  1452.00   40.089 12.77649 57.96489 
1 1 1    8   34   10 o  583.688   32.564   8.8967   0.9694   9.1230   1.3016   8.6147   1.4527  592.555   42.725  574.821   49.155 17.73334 65.12801 
1 1 1    8   34   12 o  1656.01   33.387   71.384   2.8391   73.496   4.1387   69.506   3.9020  1678.76   47.952  1633.26   46.468 45.49280 66.77392 
1 1 1    8   34   14 o  819.981   33.208   17.595   1.3957   16.539   2.0098   18.578   1.9398  795.572   49.136  844.391   44.684 -48.81866 66.41536 
1 1 1    8   34   16 f  1253.19   43.779   40.799   2.5429   39.857   2.9926   43.246   4.8234  1234.96   47.132  1271.42   73.790 -36.45605 87.55782 
1 1 1    8   34   18 o  221.173   49.670   1.3358   0.6365   1.5836   0.7689   0.7960   1.1347  239.967   61.913  202.379   77.686 37.58833 99.33985 
1 1 1    8   34   20 o  930.944   43.886   24.156   1.8873   20.360   3.3730   25.886   2.2771  867.431   75.632  994.458   44.538 -127.0270 87.77183 
1 1 1    8   34   22 o  766.382   46.318   16.026   1.7848   14.151   2.7174   17.448   2.3670  722.275   73.178  810.489   56.803 -88.21381 92.63681 
1 1 1    8   34   24 o  904.723   32.313   21.619   1.4975   23.379   2.0982   19.793   2.1377  943.465   43.257  865.981   48.015 77.48352 64.62695 
1 1 1    8   34   26 o  752.018   31.812   14.941   1.2274   15.264   1.6936   14.583   1.7812  761.328   43.269  742.707   46.647 18.62109 63.62499 
1 1 1    8   34   28 o  544.139   32.560   7.8734   0.9076   8.2830   1.2549   7.4242   1.3141  559.876   43.596  528.402   48.373 31.47394 65.12004 
1 1 1    8   34   30 o  822.367   31.995   18.031   1.3474   19.263   1.8730   16.711   1.9396  853.026   42.708  791.708   47.652 61.31848 63.98980 
1 1 1    8   34   32 o  326.404   43.061   3.0590   0.6747   2.6160   1.0973   3.3282   0.8556  299.950   72.058  352.857   47.164 -52.90726 86.12112 
1 1 1    8   34   34 o  886.070   31.933   20.975   1.4533   20.701   2.0061   21.278   2.1082  880.617   44.310  891.523   45.994 -10.90552 63.86590 
1 1 1    8   34   36 o  441.446   52.879   5.8203   1.1297   4.0355   1.6134   7.5374   1.5825  360.869   87.796  522.023   58.962 -161.1541 105.7579 
1 1 1    8   34   38 o  396.891   34.107   4.3012   0.6914   4.8138   0.9745   3.7815   0.9811  422.263   44.889  371.519   51.364 50.74347 68.21485 
1 1 1    8   34   40 o  697.665   32.818   13.267   1.1759   12.470   1.6327   14.127   1.6950  675.368   47.022  719.961   45.793 -44.59314 65.63605 
1 1 1    8   34   42 o  309.295   49.159   3.2464   0.7283   3.7079   0.8584   2.0606   1.3759  367.374   45.448  251.216   87.183 116.1579 98.31772 
1 1 1    8   34   44 o  330.987   36.708   3.1244   0.6081   2.7334   0.8330   3.5704   0.8898  305.308   55.094  356.665   48.522 -51.35672 73.41529 
1 1 1    8   34   46 f  270.295   72.270   2.4159   1.0237   0.0000   0.0000   2.4159   1.0237  ?   ?   270.295   72.270      ?      ? 
1 1 1    8   35    1 f  1228.97   36.102   39.396   2.2804   40.770   3.2489   38.061   3.2016  1250.28   50.543  1207.66   51.565 42.61792 72.20473 
1 1 1    8   35    3 o  562.520   35.425   8.6345   0.9761   10.254   1.2892   6.4589   1.4943  628.685   39.886  496.355   58.556 132.3304 70.85021 
1 1 1    8   35    5 o  366.225   31.293   3.4880   0.5889   3.4842   0.8460   3.4915   0.8202  365.965   44.966  366.485   43.531 -0.5201416 62.58520 
1 1 1    8   35    7 o  1416.60   29.364   52.180   2.1353   51.210   3.0901   53.067   2.9540  1403.52   42.824  1429.68   40.189 -26.16431 58.72845 
1 1 1    8   35    9 o  1183.08   28.956   36.296   1.7594   38.293   2.5567   34.499   2.4249  1213.93   40.966  1152.23   40.935 61.69238 57.91228 
1 1 1    8   35   11 o  941.909   31.447   23.167   1.5106   23.539   2.0222   22.698   2.2722  951.337   41.344  932.482   47.396 18.85510 62.89436 
1 1 1    8   35   13 o  292.316   38.458   2.3004   0.5622   2.0678   0.8188   2.5080   0.7733  274.975   59.635  309.658   48.576 -34.68298 76.91528 
1 1 1    8   35   15 f  347.084   48.919   3.2573   0.7870   3.2324   0.9382   3.3164   1.4461  350.809   52.015  343.359   82.866 7.450867 97.83825 
1 1 1    8   35   17 o  474.435   41.796   6.2009   0.9547   5.1933   1.5827   6.7773   1.1971  440.081   69.952  508.789   45.763 -68.70767 83.59149 
1 1 1    8   35   19 o  641.661   46.336   10.789   1.4968   12.196   2.4249   9.9226   1.9026  672.867   70.096  610.455   60.620 62.41156 92.67281 
1 1 1    8   35   21 o  454.569   37.710   5.3180   0.8659   4.6687   1.1055   6.3485   1.3927  420.249   51.164  488.889   55.410 -68.63974 75.41903 
1 1 1    8   35   23 f  379.747   33.832   3.8095   0.6605   3.8283   0.9388   3.7911   0.9295  380.650   47.970  378.845   47.720 1.804810 67.66306 
1 1 1    8   35   25 o  220.378   38.196   1.3571   0.4323   1.5695   0.5977   1.1240   0.6261  238.880   50.256  201.877   57.533 37.00237 76.39159 
1 1 1    8   35   27 o  133.340   35.535   0.3606   0.3320   0.3470   0.4766   0.3735   0.4628  132.861   50.502  133.818   50.004 -0.9561005 71.06974 
1 1 1    8   35   29 o  372.110   34.102   3.6922   0.6513   3.4072   0.9050   3.9983   0.9380  356.918   49.321  387.301   47.107 -30.38290 68.20319 
1 1 1    8   35   31 o  457.609   56.696   6.3573   1.2318   7.3081   1.5875   4.9186   1.9527  516.732   59.755  398.487   96.370 118.2453 113.3919 
1 1 1    8   35   33 o  359.832   34.774   3.4837   0.6423   3.2269   0.8937   3.7580   0.9238  345.762   50.275  373.903   48.056 -28.14090 69.54874 
1 1 1    8   35   35 o  1015.81   48.280   29.940   2.4171   21.435   3.4721   37.935   3.3668  856.364   78.862  1175.26   55.720 -318.8937 96.56083 
1 1 1    8   35   37 o  166.546   39.746   0.7399   0.4045   0.8001   0.5696   0.6786   0.5745  171.252   56.094  161.839   56.326 9.412323 79.49298 
1 1 1    8   35   39 o  347.648   35.149   3.3425   0.6246   3.6351   0.8698   3.0309   0.8976  364.936   46.358  330.359   52.846 34.57651 70.29729 
1 1 1    8   35   41 o  262.199   47.477   2.0833   0.6050   2.0733   0.7186   2.1077   1.1214  267.517   54.103  256.880   78.032 10.63739 94.95389 
1 1 1    8   35   43 o  302.967   38.779   2.7238   0.5778   3.3307   0.7996   2.0606   0.8358  346.682   44.862  259.251   63.266 87.43021 77.55793 
1 1 1    8   35   45 o  275.439   39.005   2.2834   0.5391   2.6536   0.7445   1.8753   0.7816  305.935   47.331  244.943   62.010 60.99167 78.00942 
1 1 1    8   36    0 o  1243.39   52.071   40.737   3.2971   38.705   4.5182   43.051   4.8223  1210.17   73.234  1276.61   74.043 -0.000000 0.000000 
1 1 1    8   36    2 o  543.237   44.181   7.1842   1.1697   6.0381   1.4068   9.7505   2.1052  479.570   57.059  606.903   67.469 -127.3331 88.36185 
1 1 1    8   36    4 o  849.427   32.712   18.503   1.4165   16.361   1.8633   21.435   2.1801  792.286   45.744  906.567   46.774 -114.2811 65.42434 
1 1 1    8   36    6 o  376.442   31.376   3.6855   0.6067   3.8781   0.8796   3.5106   0.8380  385.813   44.342  367.072   44.402 18.74088 62.75161 
1 1 1    8   36    8 o  278.162   34.188   2.0541   0.4784   2.1151   0.6705   1.9908   0.6828  284.713   45.808  271.611   50.764 13.10202 68.37608 
1 1 1    8   36   10 o  372.633   31.448   3.6280   0.6015   3.4966   0.8649   3.7512   0.8371  365.896   45.976  379.370   42.919 -13.47412 62.89518 
1 1 1    8   36   12 o  898.020   34.054   21.107   1.5698   21.321   2.2893   20.916   2.1567  901.906   49.371  894.135   46.916 7.770935 68.10706 
1 1 1    8   36   14 o  989.217   50.506   26.011   2.5256   24.898   3.2582   27.687   3.9978  966.253   65.586  1012.18   76.824 -45.92633 101.0122 
1 1 1    8   36   16 o  840.572   46.641   18.537   2.0157   0.0000   0.0000   18.537   2.0157  ?   ?   840.572   46.641      ?      ? 
1 1 1    8   36   18 o  1505.83   45.649   59.357   3.4689   68.427   5.5880   53.670   4.4248  1593.56   68.206  1418.11   60.689 175.4519 91.29733 
1 1 1    8   36   20 o  950.150   32.834   23.781   1.6032   24.666   2.2744   22.907   2.2603  968.082   45.697  932.217   47.161 35.86469 65.66869 
1 1 1    8   36   22 o  1414.41   32.269   52.750   2.3452   50.343   3.2768   55.278   3.3580  1380.93   46.154  1447.89   45.111 -66.95483 64.53790 
1 1 1    8   36   24 o  848.325   32.526   19.081   1.4160   19.904   1.9756   18.211   2.0306  868.076   44.267  828.574   47.668 39.50140 65.05211 
1 1 1    8   36   26 o  710.291   32.922   13.390   1.1902   11.027   1.6426   16.002   1.7269  642.765   49.705  777.817   43.182 -135.0521 65.84338 
1 1 1    8   36   28 o  584.562   33.078   9.1774   0.9832   10.608   1.3836   7.7183   1.3974  632.740   42.531  536.384   50.672 96.35602 66.15506 
1 1 1    8   36   30 o  253.829   52.957   1.9201   0.7633   2.3562   0.9891   1.2777   1.2003  285.586   68.286  222.073   80.960 63.51306 105.9131 
1 1 1    8   36   32 o  213.286   35.860   1.2272   0.4299   2.0238   0.6230   0.5034   0.5939  275.285   44.020  151.286   56.623 123.9982 71.72089 
1 1 1    8   36   34 o  367.137   50.135   3.8994   0.9258   6.2487   1.3843   1.9984   1.2452  476.352   56.523  257.921   82.820 218.4308 100.2698 
1 1 1    8   36   36 o  127.907   33.203   0.2792   0.3027   0.6535   0.4631   0.0000   0.3999  155.712   50.557  100.101   43.054 55.61042 66.40531 
1 1 1    8   36   38 o  559.586   35.259   8.5240   0.9789   5.8859   1.3125   11.832   1.4696  458.391   55.691  660.782   43.259 -202.3908 70.51839 
1 1 1    8   36   40 o  265.297   39.874   2.0606   0.5282   1.7153   0.7380   2.4232   0.7564  240.002   59.975  290.592   52.562 -50.59004 79.74767 
1 1 1    8   36   42 o  324.127   44.877   3.0813   0.7093   3.8127   1.1401   2.6194   0.9060  353.985   65.041  294.269   61.849 59.71603 89.75331 
1 1 1    8   36   44 o  280.668   38.877   2.3286   0.5495   1.9980   0.7601   2.6906   0.7953  255.171   59.099  306.164   50.527 -50.99377 77.75407 
1 1 1    8   37    1 o  459.637   38.003   5.5486   0.8968   5.9155   1.2758   5.1901   1.2610  474.929   52.250  444.346   55.198 30.58286 76.00568 
1 1 1    8   37    3 o  739.391   36.555   14.325   1.3888   15.027   1.9908   13.660   1.9384  757.169   51.140  721.612   52.247 35.55731 73.10991 
1 1 1    8   37    5 o  689.026   30.762   12.507   1.0772   10.594   1.5480   14.303   1.4998  636.519   47.302  741.533   39.341 -105.0145 61.52406 
1 1 1    8   37    7 o  1033.11   29.783   27.796   1.5803   28.410   2.2968   27.244   2.1777  1043.70   42.804  1022.52   41.424 21.17883 59.56652 
1 1 1    8   37    9 o  289.269   36.441   2.3460   0.5097   1.3400   0.7270   3.3188   0.7149  221.477   61.604  357.061   38.945 -135.5833 72.88136 
1 1 1    8   37   11 o  1274.26   34.156   42.046   2.1721   40.380   2.7357   44.888   3.5729  1243.31   42.797  1305.21   53.244 -61.89978 68.31169 
1 1 1    8   37   13 o  510.496   83.695   7.1420   2.1967   0.0000   0.0000   7.1420   2.1967  ?   ?   510.496   83.695      ?      ? 
1 1 1    8   37   15 f  1374.22   47.154   50.002   3.2369   53.893   5.3155   47.708   4.0808  1409.87   73.333  1338.58   59.297 71.28772 94.30728 
1 1 1    8   37   17 o  725.667   37.992   13.806   1.3984   13.027   1.8141   14.947   2.1952  702.144   50.255  749.189   56.992 -47.04443 75.98462 
1 1 1    8   37   19 o  905.899   33.247   21.669   1.5477   21.302   2.2111   22.021   2.1671  897.944   47.894  913.854   46.125 -15.91058 66.49316 
1 1 1    8   37   21 o  776.818   33.940   16.065   1.3422   13.486   1.8903   18.686   1.9062  711.815   51.652  841.821   44.042 -130.0063 67.87941 
1 1 1    8   37   23 o  763.398   33.597   15.588   1.3041   18.049   1.8368   13.086   1.8519  826.718   43.216  700.078   51.453 126.6403 67.19357 
1 1 1    8   37   25 o  103.329   30.468   0.0611   0.2660   0.1477   0.4135   0.0000   0.3474  112.338   45.677   94.320   40.333 18.01756 60.93579 
1 1 1    8   37   27 o  519.497   33.161   7.1971   0.8798   6.1613   1.2200   8.3195   1.2700  479.489   49.490  559.505   44.151 -80.01633 66.32143 
1 1 1    8   37   29 o  775.581   48.735   16.402   1.9102   14.567   2.4428   19.289   3.0646  724.191   65.610  826.971   72.081 -102.7800 97.46922 
1 1 1    8   37   31 o  429.367   34.625   5.0175   0.7560   5.5848   1.0422   4.3875   1.0983  457.025   44.355  401.709   53.180 55.31531 69.24937 
1 1 1    8   37   33 o  518.408   48.332   7.7260   1.2681   6.7602   1.8694   8.5492   1.7258  482.712   75.326  554.104   60.581 -71.39178 96.66477 
1 1 1    8   37   35 o  165.473   34.428   0.7866   0.3497   1.1413   0.4414   0.1886   0.5730  202.285   43.715  128.660   53.199 73.62482 68.85551 
1 1 1    8   37   37 o  288.596   37.772   2.3624   0.5384   2.1971   0.7292   2.5606   0.7983  277.491   53.047  299.701   53.787 -22.20959 75.54469 
1 1 1    8   37   39 o  356.815   38.270   3.6943   0.6664   4.3181   0.9122   2.9805   0.9757  396.792   44.717  316.838   62.118 79.95389 76.53933 
1 1 1    8   37   41 o  424.172   42.166   5.0231   0.8879   6.2422   1.5119   4.3814   1.0969  457.471   64.284  390.873   54.585 66.59778 84.33213 
1 1 1    8   37   43 o  400.583   36.162   4.6501   0.7369   5.1240   1.0165   4.1252   1.0699  426.029   46.408  375.137   55.471 50.89133 72.32417 
1 1 1    8   38    0 o  898.333   53.346   21.575   2.4157   23.978   3.5325   19.464   3.3110  946.979   73.577  849.687   77.263 0.000000 0.000000 
1 1 1    8   38    2 o  580.306   37.401   8.8616   1.1159   8.8651   1.5816   8.8580   1.5746  580.395   53.003  580.217   52.783 0.1781616 74.80209 
1 1 1    8   38    4 o  806.588   33.434   17.027   1.3712   16.919   1.8082   17.173   2.1035  804.691   43.707  808.485   50.607 -3.794373 66.86789 
1 1 1    8   38    6 o  556.135   31.180   8.1531   0.8839   7.2039   1.2795   9.0195   1.2225  524.171   47.478  588.100   40.432 -63.92914 62.36089 
1 1 1    8   38    8 o  176.663   36.409   0.8437   0.3500   0.7607   0.5412   0.9033   0.4589  171.056   54.565  182.270   48.220 -11.21478 72.81848 
1 1 1    8   38   10 o  680.637   47.878   12.029   1.6031   13.860   2.7666   11.103   1.9670  714.941   75.268  646.333   59.196 68.60767 95.75658 
1 1 1    8   38   12 o  884.201   48.495   20.620   2.1358   22.887   3.5533   19.339   2.6724  917.200   75.352  851.202   61.065 65.99768 96.98909 
1 1 1    8   38   14 o  913.055   58.914   22.248   2.7656   0.0000   0.0000   22.248   2.7656  ?   ?   913.055   58.914      ?      ? 
1 1 1    8   38   16 o  366.908   36.307   3.5600   0.6840   3.7589   0.9976   3.3835   0.9397  376.517   51.535  357.300   51.157 19.21725 72.61498 
1 1 1    8   38   18 o  1018.99   33.597   27.469   1.7590   27.360   2.5294   27.572   2.4478  1016.48   48.400  1021.49   46.608 -5.010986 67.19302 
1 1 1    8   38   20 o  818.302   33.446   17.763   1.4062   17.281   2.0051   18.229   1.9727  806.820   48.337  829.784   46.240 -22.96344 66.89281 
1 1 1    8   38   22 o  679.741   34.001   12.297   1.1877   12.327   1.6564   12.265   1.7039  680.967   47.312  678.516   48.846 2.451172 68.00273 
1 1 1    8   38   24 o  566.669   34.177   8.5800   0.9927   7.7772   1.3944   9.4049   1.4135  538.882   50.330  594.456   46.250 -55.57397 68.35387 
1 1 1    8   38   26 o  512.261   33.890   7.0206   0.8925   6.9385   1.2562   7.1044   1.2684  509.214   47.982  515.309   47.874 -6.095093 67.78088 
1 1 1    8   38   28 o  205.272   50.324   1.0536   0.6121   0.8987   0.7384   1.3936   1.0941  185.420   63.896  225.124   77.764 -39.70465 100.6472 
1 1 1    8   38   30 o  599.727   33.266   9.7040   1.0218   10.351   1.4218   9.0125   1.4696  621.890   44.468  577.564   49.490 44.32520 66.53300 
1 1 1    8   38   32 o  433.882   50.679   5.5292   1.0828   4.9540   1.6258   5.9876   1.4515  404.629   80.977  463.135   60.959 -58.50589 101.3574 
1 1 1    8   38   34 o  199.495   47.086   1.0029   0.4877   0.9002   0.5485   1.3907   1.0659  178.944   54.621  220.046   76.714 -41.10219 94.17216 
1 1 1    8   38   36 o  412.231   36.789   4.6676   0.7633   3.5201   1.0292   6.0702   1.1378  353.667   56.602  470.796   47.009 -117.1285 73.57708 
1 1 1    8   38   38 o  167.971   37.235   0.6748   0.3971   0.1574   0.5286   1.3453   0.6018  121.630   50.758  214.312   54.492 -92.68190 74.46938 
1 1 1    8   38   40 o  377.769   57.383   4.4503   1.1022   3.1220   1.4142   6.5057   1.7592  300.157   86.750  455.380   75.138 -155.2229 114.7666 
1 1 1    8   38   42 o  235.116   37.211   1.6433   0.4597   1.0176   0.6405   2.3079   0.6601  183.452   59.449  286.780   44.769 -103.3275 74.42113 
1 1 1    8   39    1 o  583.779   37.799   8.9979   1.1295   10.141   1.6231   7.9246   1.5727  620.455   50.881  547.104   55.912 73.35040 75.59824 
1 1 1    8   39    3 o  417.406   39.064   4.6412   0.8312   4.0150   1.1863   5.2450   1.1650  388.639   59.370  446.174   50.786 -57.53522 78.12834 
1 1 1    8   39    5 o  622.625   55.144   10.265   1.7652   10.265   1.7652   0.0000   0.0000  622.625   55.144  ?   ?       ?      ? 
1 1 1    8   39    7 o  1200.47   48.565   38.937   2.8168   39.176   3.4538   38.461   4.8675  1215.71   55.259  1185.22   79.880 30.49011 97.13077 
1 1 1    8   39    9 o  548.223   80.247   8.2556   2.2618   8.2556   2.2618   0.0000   0.0000  548.223   80.247  ?   ?       ?      ? 
1 1 1    8   39   11 o  429.621   63.738   4.9606   1.4078   0.0000   0.0000   4.9606   1.4078  ?   ?   429.621   63.738      ?      ? 
1 1 1    8   39   13 o  666.414   35.223   11.741   1.2054   11.989   1.7544   11.520   1.6590  672.719   50.725  660.109   48.885 12.60913 70.44689 
1 1 1    8   39   15 o  681.837   34.847   12.314   1.2193   12.417   1.7815   12.223   1.6725  683.937   50.663  679.736   47.858 4.200928 69.69350 
1 1 1    8   39   17 o  658.752   34.711   11.496   1.1741   12.102   1.7128   10.958   1.6127  674.997   49.355  642.507   48.820 32.49005 69.42162 
1 1 1    8   39   19 o  130.012   34.014   0.3569   0.3014   0.4155   0.4394   0.3048   0.4142  135.559   49.052  124.465   47.136 11.09391 68.02823 
1 1 1    8   39   21 o  587.946   35.940   9.2965   1.0509   12.422   1.5321   6.5189   1.4442  684.928   43.510  490.965   57.217 193.9633 71.88074 
1 1 1    8   39   23 o  412.529   36.404   4.6197   0.7586   3.6779   1.0747   5.5545   1.0708  368.256   56.765  456.802   45.594 -88.54639 72.80820 
1 1 1    8   39   25 o  413.239   35.793   4.6043   0.7580   4.2114   1.0745   4.9935   1.0695  394.787   52.939  431.691   48.188 -36.90457 71.58625 
1 1 1    8   39   27 o  562.789   58.043   9.6542   1.5247   10.912   1.9522   7.6876   2.4413  629.486   60.321  496.092   99.184 133.3934 116.0870 
1 1 1    8   39   29 o  313.400   37.436   2.7531   0.5787   3.1182   0.7897   2.3296   0.8506  340.973   45.050  285.826   59.803 55.14667 74.87273 
1 1 1    8   39   31 o  524.255   46.840   7.6953   1.2539   8.8129   1.9105   6.8495   1.6619  556.882   66.729  491.628   65.752 65.25360 93.68076 
1 1 1    8   39   33 o  476.073   34.606   6.2250   0.8416   6.5353   1.1488   5.8657   1.2364  490.856   45.522  461.289   52.135 29.56647 69.21191 
1 1 1    8   39   35 o  336.655   36.309   3.1227   0.6262   2.8137   0.8478   3.4935   0.9287  318.234   51.818  355.077   50.875 -36.84332 72.61809 
1 1 1    8   39   37 o  206.419   39.897   1.2527   0.4340   1.2157   0.5856   1.2977   0.6463  203.588   54.756  209.251   58.041 -5.662964 79.79305 
1 1 1    8   39   39 o  176.540   45.792   0.8735   0.5431   1.0396   0.6496   0.4879   0.9896  187.112   59.794  165.969   69.371 21.14337 91.58425 
1 1 1    8   39   41 o  366.562   36.936   3.8894   0.6951   3.9211   0.9620   3.8547   1.0056  369.343   50.661  363.781   53.764 5.562500 73.87260 
1 1 1    8   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   40    2 o  575.677   78.029   9.0823   2.3094   9.0823   2.3094   0.0000   0.0000  575.677   78.029  ?   ?       ?      ? 
1 1 1    8   40    4 o  116.446   49.813   0.0000   0.5302   0.0000   0.5302   0.0000   0.0000  116.446   49.813  ?   ?       ?      ? 
1 1 1    8   40    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   40    8 o  206.066   47.670   1.0654   0.5877   1.4980   0.8958   0.7384   0.7787  232.789   69.526  179.343   65.236 53.44559 95.33973 
1 1 1    8   40   10 o  496.070   33.815   6.2788   0.8471   7.8684   1.3589   5.2684   1.0834  545.472   48.456  446.668   47.178 98.80389 67.62976 
1 1 1    8   40   12 o  785.115   34.436   16.752   1.3338   14.578   2.1274   18.160   1.7120  738.270   56.049  831.961   40.025 -93.69067 68.87256 
1 1 1    8   40   14 o  213.555   36.125   1.2779   0.4361   1.9667   0.5937   0.4707   0.6427  273.287   42.257  153.823   58.605 119.4636 72.25067 
1 1 1    8   40   16 o  132.328   34.975   0.3590   0.3242   0.2113   0.4915   0.4728   0.4314  124.655   50.112  140.002   48.805 -15.34712 69.95064 
1 1 1    8   40   18 o  755.298   34.931   15.199   1.3554   15.868   1.9618   14.588   1.8748  771.129   49.484  739.467   49.314 31.66150 69.86114 
1 1 1    8   40   20 o  243.094   41.425   1.6555   0.5089   1.7535   0.7684   1.5789   0.6791  249.017   60.597  237.171   56.500 11.84630 82.85081 
1 1 1    8   40   22 o  390.628   36.661   4.1315   0.7311   4.5840   1.0216   3.6565   1.0467  413.941   48.001  367.315   55.426 46.62610 73.32209 
1 1 1    8   40   24 o  460.693   37.591   5.8259   0.8584   7.6604   1.2294   4.0810   1.1990  535.971   44.617  385.415   60.512 150.5555 75.18176 
1 1 1    8   40   26 o  466.892   57.204   6.2394   1.2861   5.8214   1.5925   7.0236   2.1810  455.088   68.062  478.696   91.960 -23.60788 114.4076 
1 1 1    8   40   28 o  362.833   50.340   3.9351   0.8407   3.4955   1.5179   4.1297   1.0097  335.581   87.189  390.085   50.345 -54.50436 100.6809 
1 1 1    8   40   30 o  319.134   52.165   2.8826   0.8395   4.2790   1.3512   2.0049   1.0713  380.571   71.688  257.698   75.801 122.8731 104.3304 
1 1 1    8   40   32 o  374.285   36.267   3.8542   0.6966   3.7732   0.9526   3.9472   1.0212  370.696   49.984  377.874   52.563 -7.178314 72.53496 
1 1 1    8   40   34 o  1143.92   34.072   36.175   1.9944   38.790   2.7710   33.364   2.8727  1191.51   45.235  1096.33   50.966 95.17859 68.14465 
1 1 1    8   40   36 o  242.814   41.317   1.6216   0.5265   0.9189   0.6741   2.7207   0.8430  179.802   61.070  305.826   55.667 -126.0238 82.63412 
1 1 1    8   40   38 o  372.135   60.499   4.7359   1.1178   4.8542   1.4386   4.5555   1.7759  390.357   74.396  353.913   95.423 36.44418 120.9971 
1 1 1    8   41    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   41    3 o  576.452   53.707   8.8450   1.5917   0.0000   0.0000   8.8450   1.5917  ?   ?   576.452   53.707      ?      ? 
1 1 1    8   41    5 o  858.865   51.498   19.592   2.2740   0.0000   0.0000   19.592   2.2740  ?   ?   858.865   51.498      ?      ? 
1 1 1    8   41    7 o  1424.46   48.909   56.649   3.1795   52.252   5.9235   58.429   3.7683  1364.43   84.442  1484.50   49.374 -120.0687 97.81761 
1 1 1    8   41    9 o  458.160   35.248   5.5088   0.8253   4.8815   1.1006   6.3148   1.2475  428.688   49.937  487.632   49.760 -58.94391 70.49645 
1 1 1    8   41   11 o  588.852   33.211   9.0344   0.9942   7.3961   1.3217   11.170   1.5089  527.718   48.715  649.986   45.153 -122.2682 66.42206 
1 1 1    8   41   13 o  396.859   33.810   4.1142   0.6822   3.3747   0.9067   5.0792   1.0357  355.965   49.544  437.752   46.020 -81.78641 67.61990 
1 1 1    8   41   15 o  544.100   40.944   8.0601   1.1272   8.3684   1.4890   7.6461   1.7253  559.058   51.803  529.142   63.420 29.91565 81.88834 
1 1 1    8   41   17 o  651.446   35.263   11.377   1.1781   10.886   1.7008   11.830   1.6335  636.814   51.947  666.079   47.702 -29.26489 70.52651 
1 1 1    8   41   19 o  217.940   39.751   1.3258   0.4663   0.8255   0.6526   1.8476   0.6666  177.904   60.091  257.976   52.054 -80.07170 79.50199 
1 1 1    8   41   21 o  560.736   35.362   8.4362   1.0044   10.433   1.4654   6.6665   1.3794  625.314   45.583  496.159   54.075 129.1549 70.72434 
1 1 1    8   41   23 o  588.931   35.867   9.3782   1.0631   11.902   1.5438   7.1017   1.4661  667.479   44.987  510.382   55.874 157.0965 71.73370 
1 1 1    8   41   25 o  629.535   52.996   11.260   1.6608   10.893   2.0940   11.883   2.7270  623.811   65.291  635.258   83.496 -11.44678 105.9925 
1 1 1    8   41   27 o  244.865   49.024   1.7632   0.5971   1.6345   1.1974   1.8057   0.6888  237.388   81.390  252.342   54.672 -14.95401 98.04779 
1 1 1    8   41   29 o  345.437   42.835   3.3194   0.7275   3.0631   0.9247   3.7356   1.1783  333.177   53.985  357.698   66.519 -24.52057 85.66920 
1 1 1    8   41   31 o  136.462   36.605   0.4027   0.3536   0.3575   0.5219   0.4411   0.4809  134.787   52.427  138.138   51.099 -3.351288 73.20968 
1 1 1    8   41   33 o  886.076   34.149   21.690   1.5521   22.106   2.1392   21.227   2.2554  897.440   46.363  874.713   50.151 22.72668 68.29839 
1 1 1    8   41   35 o  507.181   37.367   7.3650   0.9540   8.7126   1.3276   5.9265   1.3717  561.396   45.997  452.966   58.901 108.4307 74.73312 
1 1 1    8   41   37 o  239.088   53.037   1.9640   0.7776   2.4325   0.9561   1.0483   1.3366  278.212   67.526  199.964   81.805 78.24850 106.0742 
1 1 1    8   42    0 o  1254.45   54.722   42.828   3.4680   38.384   5.0256   46.869   4.7918  1186.36   83.340  1322.55   70.939 0.000000 0.000000 
1 1 1    8   42    2 o  1509.00   37.456   60.737   2.9043   63.666   4.1622   57.957   4.0544  1545.03   52.398  1472.96   53.539 72.07361 74.91278 
1 1 1    8   42    4 o  322.841   40.446   2.8492   0.6545   2.6980   0.9486   2.9865   0.9043  311.175   61.473  334.508   52.580 -23.33374 80.89204 
1 1 1    8   42    6 o  838.217   38.041   18.662   1.6329   20.479   2.4438   17.196   2.1948  874.466   54.357  801.969   53.232 72.49664 76.08146 
1 1 1    8   42    8 o  302.754   41.530   2.4640   0.6107   2.9792   0.9927   2.1503   0.7747  327.043   61.294  278.464   56.052 48.57907 83.05938 
1 1 1    8   42   10 o  619.462   38.616   10.185   1.2191   11.242   1.8804   9.4177   1.6013  645.867   56.628  593.057   52.518 52.81061 77.23238 
1 1 1    8   42   12 o  903.608   35.313   21.450   1.5731   23.103   2.6667   20.568   1.9481  925.443   56.048  881.773   42.973 43.66980 70.62599 
1 1 1    8   42   14 o  340.232   46.698   3.3717   0.7957   5.0581   1.1308   1.7181   1.1197  434.528   50.618  245.936   78.491 188.5918 93.39675 
1 1 1    8   42   16 o  163.009   41.567   0.5749   0.4840   0.0000   0.7474   0.9900   0.6351  135.963   58.666  190.055   58.903 -54.09155 83.13390 
1 1 1    8   42   18 o  1117.15   38.959   33.762   2.2047   33.384   2.8784   34.299   3.4291  1114.49   50.235  1119.81   59.563 -5.314331 77.91835 
1 1 1    8   42   20 o  287.931   45.293   2.3775   0.6506   2.4239   0.8753   2.3202   0.9724  292.613   60.191  283.248   67.696 9.364624 90.58529 
1 1 1    8   42   22 o  555.828   49.473   8.3339   1.4138   8.3339   1.4138   0.0000   0.0000  555.828   49.473  ?   ?       ?      ? 
1 1 1    8   42   24 o  424.641   40.486   4.6557   0.8544   6.3355   1.4519   3.7659   1.0567  478.701   58.994  370.581   55.463 108.1205 80.97186 
1 1 1    8   42   26 o  366.196   67.571   3.9031   1.2253   0.0000   0.0000   3.9031   1.2253  ?   ?   366.196   67.571      ?      ? 
1 1 1    8   42   28 o  205.834   40.237   1.2195   0.4412   1.3247   0.6251   1.1150   0.6227  214.439   56.069  197.230   57.725 17.20970 80.47356 
1 1 1    8   42   30 o  183.174   38.360   0.9167   0.4124   1.4030   0.5964   0.4712   0.5708  220.702   53.187  145.647   55.292 75.05492 76.72084 
1 1 1    8   42   32 o  862.825   35.110   20.641   1.5542   18.923   2.1613   22.481   2.2366  823.897   51.024  901.754   48.243 -77.85736 70.21960 
1 1 1    8   42   34 f  803.064   35.100   18.119   1.4442   19.084   2.0044   17.079   2.0826  828.722   47.045  777.406   52.105 51.31592 70.20090 
1 1 1    8   42   36 o  397.574   60.516   6.0948   1.2385   7.6764   1.5504   3.3061   2.0587  510.543   59.068  284.604  105.640 225.9388 121.0323 
1 1 1    8   43    1 o  664.866   38.929   11.878   1.3299   12.461   1.9000   11.319   1.8621  681.261   54.245  648.470   55.852 32.79108 77.85867 
1 1 1    8   43    3 o  309.683   42.701   2.7076   0.6720   4.4170   0.9803   1.1922   0.9230  407.792   46.759  211.575   71.465 196.2173 85.40232 
1 1 1    8   43    5 o  214.251   41.339   1.2614   0.4817   1.7122   0.6986   0.8528   0.6652  247.579   56.171  180.923   60.668 66.65524 82.67837 
1 1 1    8   43    7 o  207.186   38.995   1.1601   0.4302   0.8181   0.5757   1.5927   0.6475  175.278   56.315  239.094   53.954 -63.81631 77.99010 
1 1 1    8   43    9 o  693.124   32.077   12.899   1.1265   10.599   1.6093   15.109   1.5774  629.615   49.714  756.634   40.550 -127.0184 64.15479 
1 1 1    8   43   11 o  563.986   32.265   8.5830   0.9182   6.8832   1.3173   10.189   1.2805  506.709   50.567  621.263   40.090 -114.5541 64.53088 
1 1 1    8   43   13 o  234.337   41.957   1.4738   0.4979   1.9741   0.8136   1.1744   0.6295  263.876   61.163  204.799   57.452 59.07677 83.91444 
1 1 1    8   43   15 o  181.215   40.901   0.7930   0.4265   1.2849   0.7105   0.5158   0.5334  213.454   61.429  148.977   54.019 64.47632 81.80221 
1 1 1    8   43   17 o  427.113   49.782   4.8773   0.9449   5.8987   1.8707   4.5275   1.0949  444.851   84.893  409.375   52.020 35.47546 99.56342 
1 1 1    8   43   19 o  566.748   48.992   8.8246   1.2548   9.5072   2.4623   8.5851   1.4584  569.557   84.089  563.938   50.300 5.619202 97.98471 
1 1 1    8   43   21 o  319.289   91.557   3.1911   1.5808   3.1911   1.5808   0.0000   0.0000  319.289   91.557  ?   ?       ?      ? 
1 1 1    8   43   23 o  348.042   69.972   3.5486   1.2087   0.0000   0.0000   3.5486   1.2087  ?   ?   348.042   69.972      ?      ? 
1 1 1    8   43   25 o  248.984   53.463   1.6295   0.7191   2.7264   1.2789   1.1224   0.8697  296.673   81.394  201.294   69.342 95.37907 106.9264 
1 1 1    8   43   27 o  367.726   42.222   3.6748   0.7589   2.6968   0.9719   5.2025   1.2147  302.782   64.412  432.669   54.607 -129.8875 84.44436 
1 1 1    8   43   29 o  196.643   41.022   1.0953   0.4558   0.7465   0.6248   1.4921   0.6665  167.428   58.713  225.858   57.305 -58.42996 82.04339 
1 1 1    8   43   31 o  908.056   40.049   23.283   1.8168   22.658   2.3054   24.308   2.9513  902.227   49.701  913.884   62.813 -11.65692 80.09756 
1 1 1    8   43   33 o  319.604   41.453   3.0246   0.6560   3.0413   0.9306   3.0080   0.9250  320.489   58.641  318.719   58.607 1.770294 82.90672 
1 1 1    8   43   35 o  383.962   61.626   5.4276   1.2102   6.3078   1.5346   3.9800   1.9680  455.136   65.584  312.788  104.354 142.3485 123.2521 
1 1 1    8   44    0 o  404.842   70.649   5.6036   1.3266   2.7960   1.8671   8.4655   1.8851  258.309  123.025  551.376   69.499 0.000000 0.000000 
1 1 1    8   44    2 o  338.079   43.157   3.1693   0.7324   3.0249   1.0579   3.3021   1.0150  326.873   65.234  349.286   56.522 -22.41312 86.31465 
1 1 1    8   44    4 o  415.962   40.083   4.6855   0.8571   4.7726   1.2247   4.6019   1.1998  419.725   56.755  412.199   56.615 7.526031 80.16534 
1 1 1    8   44    6 o  258.581   37.705   1.7092   0.5072   0.7660   0.6534   3.1397   0.8046  173.683   60.089  343.479   45.564 -169.7962 75.41045 
1 1 1    8   44    8 o  769.055   31.452   15.687   1.2403   17.341   1.7982   14.186   1.7130  808.321   43.270  729.790   45.656 78.53094 62.90305 
1 1 1    8   44   10 o  923.156   31.103   22.596   1.4727   24.878   2.1401   20.544   2.0297  967.984   43.003  878.329   44.947 89.65454 62.20539 
1 1 1    8   44   12 o  647.919   32.361   11.322   1.0642   9.5541   1.5313   12.974   1.4801  596.183   49.958  699.656   41.147 -103.4732 64.72163 
1 1 1    8   44   14 o  821.440   30.870   18.057   1.2965   16.287   1.8595   19.731   1.8087  780.261   46.354  862.620   40.783 -82.35913 61.74096 
1 1 1    8   44   16 o  501.543   34.573   6.8000   0.8837   7.0268   1.1884   6.5193   1.3218  512.632   45.091  490.453   52.421 22.17850 69.14603 
1 1 1    8   44   18 o  576.659   37.856   9.1399   1.1103   8.0371   1.6150   10.128   1.5289  540.469   58.119  612.850   48.522 -72.38177 75.71162 
1 1 1    8   44   20 o  460.188   99.571   6.7836   2.2874   0.0000   0.0000   6.7836   2.2874  ?   ?   460.188   99.571      ?      ? 
1 1 1    8   44   22 o  250.742   60.052   1.8170   0.7639   0.0000   0.0000   1.8170   0.7639  ?   ?   250.742   60.052      ?      ? 
1 1 1    8   44   24 o  207.832   47.884   1.1009   0.6079   1.8947   0.9578   0.5653   0.7867  251.175   71.008  164.489   64.259 86.68575 95.76717 
1 1 1    8   44   26 o  441.284   50.552   5.4616   1.0303   6.6544   1.9163   4.9767   1.2219  461.210   83.908  421.358   56.406 39.85205 101.1045 
1 1 1    8   44   28 o  259.800   52.363   2.1236   0.6835   1.9066   1.3941   2.1923   0.7843  245.460   87.540  274.140   57.481 -28.67964 104.7251 
1 1 1    8   44   30 o  147.290   41.266   0.2469   0.4267   0.9404   0.8329   0.0000   0.4969  184.861   67.431  109.719   47.587 75.14163 82.53203 
1 1 1    8   44   32 o  350.697   44.260   3.4668   0.7613   2.7330   0.9519   4.7695   1.2683  299.166   63.831  402.229   61.331 -103.0629 88.52098 
1 1 1    8   44   34 o  518.650   51.212   7.7183   1.3656   7.7183   1.3656   0.0000   0.0000  518.650   51.212  ?   ?       ?      ? 
1 1 1    8   45    1 o  173.419   42.522   0.7615   0.4632   0.6843   0.6428   0.8450   0.6682  167.135   59.461  179.703   60.802 -12.56784 85.04391 
1 1 1    8   45    3 o  696.606   39.210   13.159   1.4039   13.286   2.0131   13.039   1.9588  699.537   55.975  693.675   54.924 5.862122 78.42060 
1 1 1    8   45    5 o  491.551   39.451   6.5724   0.9950   6.2913   1.4300   6.8363   1.3854  480.329   57.906  502.773   53.595 -22.44391 78.90222 
1 1 1    8   45    7 o  601.068   34.702   9.6580   1.0634   9.3897   1.4079   10.014   1.6226  592.845   46.192  609.290   51.800 -16.44458 69.40421 
1 1 1    8   45    9 o  349.318   40.084   3.6014   0.6515   1.8262   0.9315   5.3012   0.9116  251.072   69.697  447.564   39.615 -196.4922 80.16868 
1 1 1    8   45   11 o  410.187   33.662   4.5385   0.7056   4.1439   1.0214   4.8987   0.9759  391.888   50.695  428.487   44.300 -36.59860 67.32397 
1 1 1    8   45   13 o  282.604   38.919   2.2406   0.5446   2.2209   0.7880   2.2586   0.7535  280.787   56.544  284.420   53.494 -3.633179 77.83887 
1 1 1    8   45   15 o  203.852   37.259   1.1130   0.4078   1.7098   0.6227   0.6647   0.5397  247.372   50.667  160.331   54.643 87.04086 74.51877 
1 1 1    8   45   17 o  631.579   33.924   10.707   1.0964   10.117   1.4674   11.454   1.6496  612.871   46.570  650.287   49.341 -37.41608 67.84745 
1 1 1    8   45   19 o  329.696   95.421   3.5170   1.7099   0.0000   0.0000   3.5170   1.7099  ?   ?   329.696   95.421      ?      ? 
1 1 1    8   45   21 o  899.382   56.740   24.895   2.4335   21.234   4.0408   26.979   3.0483  818.580   96.014  980.183   60.489 -161.6032 113.4797 
1 1 1    8   45   23 o  290.910   40.712   2.3922   0.5964   2.9207   0.8776   1.9389   0.8128  325.044   52.518  256.777   62.223 68.26749 81.42379 
1 1 1    8   45   25 o  323.216   39.590   2.9675   0.6451   2.9962   0.9151   2.9392   0.9095  327.276   54.387  319.156   57.546 8.119965 79.17983 
1 1 1    8   45   27 o  202.902   40.280   1.0584   0.4800   2.0267   0.7504   0.3880   0.6244  262.994   57.134  142.810   56.793 120.1835 80.55910 
1 1 1    8   45   29 o  577.916   56.136   10.668   1.4081   9.9756   2.6256   10.948   1.6683  533.168   99.443  622.665   52.114 -89.49731 112.2711 
1 1 1    8   45   31 o  375.037   56.396   5.2990   1.0320   2.9550   1.8472   6.3627   1.2443  277.056  100.519  473.019   51.166 -195.9629 112.7922 
1 1 1    8   45   33 o  229.078   83.521   1.8144   1.2775   0.0000   0.0000   1.8144   1.2775  ?   ?   229.078   83.521      ?      ? 
1 1 1    8   46    0 o  177.863   65.398   1.2648   0.7633   1.1278   0.9818   1.4743   1.2139  166.902   87.232  188.823   97.459 -0.000000 0.000000 
1 1 1    8   46    2 o  588.945   39.802   9.4844   1.2008   8.7211   1.7140   10.220   1.6827  563.865   59.123  614.024   53.303 -50.15875 79.60420 
1 1 1    8   46    4 o  892.383   38.954   21.739   1.7805   20.116   2.5525   23.277   2.4850  857.246   57.914  927.520   52.112 -70.27460 77.90854 
1 1 1    8   46    6 o  300.118   43.866   2.5828   0.6646   1.9411   0.9601   3.1731   0.9208  257.977   70.416  342.259   52.330 -84.28262 87.73177 
1 1 1    8   46    8 o  618.689   35.258   10.284   1.1119   9.9823   1.4707   10.685   1.6987  609.853   46.906  627.524   52.653 -17.67120 70.51553 
1 1 1    8   46   10 o  352.001   35.250   3.3491   0.6372   3.3266   0.9217   3.3697   0.8818  350.413   51.159  353.590   48.507 -3.176788 70.49927 
1 1 1    8   46   12 o  277.945   38.301   2.1712   0.5274   2.1321   0.7556   2.2085   0.7366  274.956   55.366  280.935   52.939 -5.978699 76.60223 
1 1 1    8   46   14 o  388.549   35.170   4.1550   0.6888   3.3440   0.9919   4.9102   0.9572  348.979   55.284  428.118   43.488 -79.13934 70.33923 
1 1 1    8   46   16 o  298.146   48.226   2.6891   0.7529   3.4651   1.0134   1.7331   1.1248  354.491   55.605  241.801   78.810 112.6901 96.45115 
1 1 1    8   46   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   46   20 o  295.424   47.236   2.5487   0.6920   2.3391   0.8987   2.8539   1.0846  282.182   63.485  308.666   69.961 -26.48364 94.47144 
1 1 1    8   46   22 o  259.138   36.401   2.0179   0.5415   0.2296   0.7739   3.7333   0.7580  145.518   61.120  372.757   39.553 -227.2396 72.80164 
1 1 1    8   46   24 o  254.730   41.080   1.8359   0.5604   2.8603   0.8378   1.0067   0.7538  320.830   50.795  188.629   64.577 132.2008 82.16051 
1 1 1    8   46   26 f  407.194   39.549   4.7182   0.8275   4.7828   1.1932   4.6584   1.1486  409.332   56.696  405.056   55.154 4.275208 79.09713 
1 1 1    8   46   28 o  302.023   41.764   2.7036   0.6335   3.1427   0.8960   2.2647   0.8958  332.752   52.376  271.293   65.066 61.45874 83.52707 
1 1 1    8   46   30 o  269.698   43.434   2.2183   0.5893   2.5407   0.8640   1.9377   0.8059  289.373   60.040  250.024   62.780 39.34924 86.86856 
1 1 1    8   47    1 f  343.508   45.220   3.3753   0.7673   1.7849   1.0441   5.2433   1.1316  246.659   75.374  440.357   49.981 -193.6978 90.43967 
1 1 1    8   47    3 o  892.123   38.991   21.732   1.7872   22.724   2.5789   20.815   2.4791  911.811   55.013  872.436   55.270 39.37579 77.98180 
1 1 1    8   47    5 o  394.204   43.750   4.3976   0.8532   3.6538   1.2131   5.1257   1.2003  354.977   68.957  433.431   53.864 -78.45471 87.50089 
1 1 1    8   47    7 o  725.754   39.153   14.410   1.4586   15.566   2.1070   13.346   2.0213  754.511   54.315  696.997   56.406 57.51477 78.30583 
1 1 1    8   47    9 o  523.981   32.957   7.4107   0.8856   7.1616   1.2842   7.6366   1.2228  514.547   48.544  533.414   44.588 -18.86664 65.91366 
1 1 1    8   47   11 o  281.040   42.202   2.4451   0.6103   1.1888   0.9363   3.3729   0.8047  207.700   71.927  354.381   44.165 -146.6811 84.40353 
1 1 1    8   47   13 o  416.792   41.416   5.0898   0.8144   3.8686   1.2606   5.9644   1.0668  362.731   70.134  470.852   44.070 -108.1207 82.83106 
1 1 1    8   47   15 o  176.460   71.237   0.5789   0.9979   0.0000   0.0000   0.5789   0.9979  ?   ?   176.460   71.237      ?      ? 
1 1 1    8   47   17 o  317.924   58.946   3.0714   0.9215   3.5280   1.6645   2.8696   1.1065  326.973   94.005  308.874   71.144 18.09872 117.8916 
1 1 1    8   47   19 o  323.499   39.339   2.9563   0.6401   3.1653   0.9214   2.7614   0.8898  337.593   53.089  309.405   58.067 28.18759 78.67788 
1 1 1    8   47   21 o  231.753   37.377   1.4851   0.4901   2.6229   0.7227   0.5165   0.6668  309.796   45.377  153.711   59.406 156.0855 74.75365 
1 1 1    8   47   23 o  592.115   38.112   9.8830   1.1600   9.7053   1.6440   10.059   1.6370  586.182   54.551  598.049   53.240 -11.86719 76.22483 
1 1 1    8   47   25 o  420.798   41.804   5.1329   0.8603   3.8598   1.1737   6.6110   1.2647  356.566   66.469  485.030   50.716 -128.4642 83.60706 
1 1 1    8   47   27 f  359.985   41.616   3.8210   0.7489   4.3029   1.0741   3.3652   1.0446  387.241   53.950  332.730   63.381 54.51117 83.23293 
1 1 1    8   47   29 o  360.592   43.889   4.0174   0.7605   2.3585   1.0515   5.8365   1.1011  266.609   74.063  454.575   47.114 -187.9658 87.77866 
1 1 1    8   48    0 o  247.878   74.388   2.4921   0.9922   2.0705   1.5297   2.7984   1.3036  219.065  110.210  276.690   99.941 0.000000 0.000000 
1 1 1    8   48    2 o  466.499   41.146   6.0298   0.9851   6.4503   1.3986   5.6158   1.3877  483.755   56.235  449.242   60.081 34.51297 82.29274 
1 1 1    8   48    4 o  197.632   49.434   1.0286   0.5873   0.9754   1.1259   1.0484   0.6883  201.761   77.399  193.502   61.516 8.259033 98.86766 
1 1 1    8   48    6 o  398.641   52.524   4.4919   0.9845   5.2066   1.7677   4.1705   1.1853  410.314   86.519  386.967   59.579 23.34738 105.0485 
1 1 1    8   48    8 o  842.555   38.873   19.660   1.6741   18.469   2.4478   20.708   2.2946  814.748   58.437  870.362   51.278 -55.61444 77.74526 
1 1 1    8   48   10 o  771.294   51.345   17.094   1.6451   17.517   3.5491   16.978   1.8566  750.135   92.026  792.453   45.570 -42.31738 102.6904 
1 1 1    8   48   12 o  713.401   55.196   14.660   1.8923   13.774   2.2823   16.610   3.3849  696.225   63.760  730.577   90.118 -34.35229 110.3929 
1 1 1    8   48   14 o  202.429   77.619   1.0357   1.1320   1.0357   1.1320   0.0000   0.0000  202.429   77.619  ?   ?       ?      ? 
1 1 1    8   48   16 o  572.836   35.376   8.9773   1.0362   8.4535   1.3816   9.6508   1.5666  555.093   48.412  590.580   51.597 -35.48743 70.75284 
1 1 1    8   48   18 o  803.697   37.747   18.098   1.5540   16.974   2.2385   19.143   2.1590  776.204   56.095  831.190   50.523 -54.98608 75.49316 
1 1 1    8   48   20 o  320.854   43.087   3.0688   0.6849   1.9004   0.9565   4.2981   0.9812  247.624   71.281  394.085   48.426 -146.4618 86.17484 
1 1 1    8   48   22 o  666.599   36.974   12.533   1.2657   12.225   1.8169   12.824   1.7640  656.915   53.798  676.283   50.735 -19.36780 73.94765 
1 1 1    8   48   24 o  274.030   41.551   2.2018   0.5859   3.0984   0.8683   1.4524   0.7939  331.027   51.020  217.033   65.595 113.9936 83.10110 
1 1 1    8   48   26 o  404.549   42.804   4.8857   0.8591   5.7474   1.2349   4.0774   1.1960  446.340   53.813  362.758   66.580 83.58218 85.60830 
1 1 1    8   49    1 o  322.932   55.743   3.0763   1.0674   1.0500   1.4652   5.3673   1.5580  215.036   86.494  430.829   70.341 -215.7930 111.4854 
1 1 1    8   49    3 o  258.699   53.390   1.8870   0.9256   3.5460   1.2689   0.0000   1.3533  343.336   74.061  174.062   76.921 169.2739 106.7796 
1 1 1    8   49    5 o  247.904   65.730   1.8176   0.8514   0.0000   0.0000   1.8176   0.8514  ?   ?   247.904   65.730      ?      ? 
1 1 1    8   49    7 o  503.901   59.355   7.4591   1.4514   11.026   2.2877   5.0560   1.8776  613.792   72.495  394.009   94.003 219.7823 118.7098 
1 1 1    8   49    9 o  173.798   71.662   0.4954   1.0358   0.4954   1.0358   0.0000   0.0000  173.798   71.662  ?   ?       ?      ? 
1 1 1    8   49   11 o  463.786  100.101   7.2132   2.3169   7.2132   2.3169   0.0000   0.0000  463.786  100.101  ?   ?       ?      ? 
1 1 1    8   49   13 o  438.138   40.188   5.4591   0.8909   4.5470   1.2814   6.3124   1.2395  398.282   62.580  477.994   50.437 -79.71161 80.37534 
1 1 1    8   49   15 o  198.315   44.674   1.1785   0.5138   0.8069   0.9205   1.3466   0.6192  181.758   69.924  214.871   55.620 -33.11237 89.34741 
1 1 1    8   49   17 o  409.484   47.633   5.1027   0.8611   4.6731   1.5936   5.2799   1.0233  380.306   83.766  438.661   45.376 -58.35504 95.26683 
1 1 1    8   49   19 o  535.802   40.564   8.2970   1.1036   7.2165   1.5990   9.2801   1.5252  496.924   62.587  574.680   51.621 -77.75565 81.12885 
1 1 1    8   49   21 o  250.184   42.777   1.8821   0.5427   2.0088   0.8044   1.7762   0.7353  257.407   61.603  242.961   59.368 14.44647 85.55446 
1 1 1    8   49   23 o  377.892   41.175   4.2299   0.7701   3.5362   1.0890   4.9236   1.0891  339.627   64.733  416.157   50.903 -76.52924 82.34969 
1 1 1    8   49   25 o  380.484   45.215   4.4831   0.8229   2.6748   1.1309   6.5185   1.1998  282.279   76.164  478.690   48.750 -196.4106 90.42990 
1 1 1    8   50    0 o  145.317   80.368   0.8483   0.8781   0.0000   0.0000   0.8483   0.8781  145.317   80.368  145.317   80.368 0.000000 0.000000 
1 1 1    8   50    2 o  520.889   85.972   8.4239   2.3024   8.4239   2.3024   0.0000   0.0000  520.889   85.972  ?   ?       ?      ? 
1 1 1    8   50    4 o  270.044   85.673   2.3302   1.3355   2.3302   1.3355   0.0000   0.0000  270.044   85.673  ?   ?       ?      ? 
1 1 1    8   50    6 o  120.071   52.073   0.0000   0.5949   0.0000   0.5949   0.0000   0.0000  120.071   52.073  ?   ?       ?      ? 
1 1 1    8   50    8 o  517.294   59.181   7.5937   1.5739   7.5937   1.5739   0.0000   0.0000  517.294   59.181  ?   ?       ?      ? 
1 1 1    8   50   10 o  504.170   45.156   7.3480   1.1608   7.3341   1.5500   7.3656   1.7516  507.389   59.420  500.951   68.011 6.437256 90.31200 
1 1 1    8   50   12 f  258.004   49.822   1.9865   0.6749   1.6209   0.8756   2.5219   1.0595  230.709   68.697  285.298   72.178 -54.58871 99.64440 
1 1 1    8   50   14 o  378.824   49.741   4.3276   0.9270   3.9757   1.2276   4.7942   1.4139  362.296   68.415  395.352   72.223 -33.05612 99.48205 
1 1 1    8   50   16 o  617.216   33.175   10.580   1.0492   9.8054   1.4996   11.323   1.4683  592.808   49.204  641.623   44.512 -48.81561 66.35037 
1 1 1    8   50   18 o  628.130   36.326   11.212   1.1509   10.731   1.7782   11.559   1.5097  610.313   56.670  645.948   45.461 -35.63556 72.65103 
1 1 1    8   50   20 o  244.436   45.277   1.8455   0.5907   1.3291   0.8203   2.4017   0.8513  207.292   67.288  281.579   60.599 -74.28731 90.55330 
1 1 1    8   50   22 o  223.418   48.158   1.5524   0.5974   1.8998   0.9356   1.3133   0.7763  241.742   70.760  205.094   65.345 36.64851 96.31663 
1 1 1    8   51    1 o  359.899   68.701   4.4693   1.3006   4.4158   1.8850   4.5179   1.7967  355.442   99.313  364.357   94.952 -8.915070 137.4014 
1 1 1    8   51    3 o  1087.91   62.486   37.827   3.4922   36.177   4.8285   39.637   5.0569  1063.14   88.339  1112.68   88.399 -49.53931 124.9724 
1 1 1    8   51    5 o  297.680   47.864   3.0971   0.8503   0.5164   1.4009   4.6020   1.0698  188.880   80.889  406.479   51.193 -217.5983 95.72761 
1 1 1    8   51    7 o  477.719   57.644   7.3616   1.2515   6.5105   2.1874   7.7758   1.5260  432.178  100.368  523.260   56.724 -91.08176 115.2881 
1 1 1    8   51    9 o  758.322   39.422   16.210   1.5261   19.018   2.2479   13.810   2.0785  822.050   53.187  694.594   58.202 127.4562 78.84409 
1 1 1    8   51   11 o  337.741   40.963   3.2381   0.6835   3.6771   1.0943   2.9573   0.8751  351.487   62.862  323.995   52.538 27.49142 81.92619 
1 1 1    8   51   13 o  241.538   45.791   1.8798   0.5859   2.1562   0.7223   1.3477   1.0021  272.242   53.510  210.834   74.323 61.40848 91.58189 
1 1 1    8   51   15 o  450.676   45.751   6.0753   1.0420   6.1987   1.3713   5.9066   1.6029  462.511   57.667  438.841   71.043 23.66995 91.50211 
1 1 1    8   51   17 o  341.302   47.650   3.5856   0.7745   3.5888   0.9522   3.5794   1.3312  354.493   52.245  328.111   79.702 26.38190 95.29979 
1 1 1    8   51   19 o  296.172   48.376   2.6120   0.6867   2.2382   0.8320   3.4112   1.2164  269.691   61.383  322.653   74.787 -52.96234 96.75210 
1 1 1    8   52    0 o  112.507   49.490   0.2615   0.5827   0.5724   0.8622   0.0000   0.7907  127.219   75.580   97.795   63.910 0.000000 0.000000 
1 1 1    8   52    2 o  255.600   46.160   1.9637   0.6339   2.8105   0.9328   1.2369   0.8641  307.405   61.171  203.795   69.146 103.6104 92.31991 
1 1 1    8   52    4 o  717.820   43.033   15.123   1.5475   11.671   2.1922   18.552   2.1849  624.439   68.285  811.200   52.388 -186.7616 86.06644 
1 1 1    8   52    6 o  195.049   45.529   1.1250   0.5362   1.3059   0.7381   0.9228   0.7803  208.092   63.328  182.006   65.431 26.08594 91.05806 
1 1 1    8   52    8 o  302.902   45.614   2.7874   0.6859   2.8013   1.0217   2.7759   0.9256  301.336   67.610  304.469   61.251 -3.133118 91.22900 
1 1 1    8   52   10 o  550.947   40.594   9.1371   1.0833   11.158   1.4492   6.5785   1.6307  635.440   44.361  466.454   67.997 168.9861 81.18805 
1 1 1    8   52   12 f  361.123   36.059   3.7042   0.6671   3.6098   0.9751   3.7872   0.9147  355.157   53.403  367.088   48.469 -11.93106 72.11832 
1 1 1    8   52   14 o  370.862   35.057   3.9001   0.6673   3.8610   0.9681   3.9354   0.9210  367.963   51.174  373.760   47.931 -5.797485 70.11487 
1 1 1    8   52   16 o  235.284   41.787   1.7346   0.5128   1.3446   0.7659   2.0514   0.6903  207.253   64.761  263.314   52.826 -56.06094 83.57425 
1 1 1    8   53    1 o  605.610   42.655   10.769   1.3274   10.517   1.8890   11.014   1.8656  597.104   61.534  614.115   59.087 -17.01068 85.30952 
1 1 1    8   53    3 o  151.334   41.413   0.4851   0.4638   0.7812   0.6964   0.2490   0.6218  169.432   61.681  133.236   55.279 36.19641 82.82643 
1 1 1    8   53    5 f  499.277   43.627   7.3711   1.1187   7.8380   1.6093   6.9344   1.5561  515.607   60.708  482.947   62.672 32.65924 87.25430 
1 1 1    8   53    7 o  360.448   45.503   3.9373   0.8222   3.9170   1.2090   3.9547   1.1215  354.244   68.865  366.653   59.497 -12.40930 91.00683 
1 1 1    8   53    9 o  192.379   40.596   1.0850   0.5026   0.2235   0.7500   1.7873   0.6772  140.139   59.579  244.619   55.160 -104.4805 81.19281 
1 1 1    8   53   11 o  368.396   41.393   3.9662   0.7519   3.0718   1.0014   5.1224   1.1386  315.096   63.998  421.696   52.515 -106.6000 82.78637 
1 1 1    8   53   13 o  342.355   36.448   3.3704   0.6405   3.6416   0.9312   3.1269   0.8823  355.854   50.900  328.856   52.183 26.99750 72.89645 
1 1 1    8   54    0 o  472.809   75.387   7.6304   1.5958   7.8156   2.3381   7.4690   2.1833  474.816  110.100  470.801  103.009 0.000000 0.000000 
1 1 1    8   54    2 o  259.031   48.378   2.1510   0.6621   2.5824   0.9490   1.7420   0.9241  286.595   65.796  231.468   70.940 55.12645 96.75531 
1 1 1    8   54    4 o  182.526   47.376   0.9473   0.5885   1.2232   0.8559   0.6999   0.8105  198.447   68.766  166.605   65.186 31.84131 94.75164 
1 1 1    8   54    6 o  372.260   47.546   4.2924   0.8856   5.0583   1.3082   3.6445   1.2032  409.067   62.204  335.453   71.925 73.61481 95.09261 
1 1 1    9    0    1 o  2273.65   67.438  133.738   7.8674   0.0000   0.0000  133.738   7.8674  2273.65   67.438  2273.65   67.438 0.000000 0.000000 
1 1 1    9    0    3 o   84.024   32.751   0.2064   0.2174   0.3978   0.3236   0.0489   0.2935  102.483   50.853   65.565   41.286 0.000000 0.000000 
1 1 1    9    0    5 o  3816.75   40.469  377.249   7.8821  361.889   11.723  389.923   10.649  3744.63   60.927  3888.86   53.282 0.000000 0.000000 
1 1 1    9    0    7 o  2401.23   38.025  148.806   4.6885  150.037   6.6853  147.614   6.5773  2410.98   53.994  2391.48   53.555 0.000000 0.000000 
1 1 1    9    0    9 o  2920.77   37.788  220.131   5.6693  219.114   8.0759  221.118   7.9606  2914.01   53.947  2927.53   52.929 -0.000000 0.000000 
1 1 1    9    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0   13 o  306.294   47.876   2.7803   0.6523   3.2966   0.9226   2.2643   0.9224  344.347   56.745  268.241   77.126 0.000000 0.000000 
1 1 1    9    0   15 o  628.383   39.945   10.446   1.2663   10.684   1.8003   10.213   1.7815  635.753   56.084  621.013   56.895 -0.000000 0.000000 
1 1 1    9    0   17 o  1015.96   39.384   26.924   2.0428   26.684   2.8983   27.161   2.8798  1011.30   56.139  1020.61   55.252 -0.000000 0.000000 
1 1 1    9    0   19 o  3319.66   54.947  284.859   9.3721   0.0000   0.0000  284.859   9.3721  3319.66   54.947  3319.66   54.947 -0.000000 0.000000 
1 1 1    9    0   21 o  1143.65   55.668   33.980   3.2555   0.0000   0.0000   33.980   3.2555  1143.65   55.668  1143.65   55.668 -0.000000 0.000000 
1 1 1    9    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0   27 o  2199.78   56.772  125.037   6.4111  125.037   6.4111   0.0000   0.0000  2199.78   56.772  2199.78   56.772 -0.000000 0.000000 
1 1 1    9    0   29 o  1536.34   57.408   61.150   4.5202   61.150   4.5202   0.0000   0.0000  1536.34   57.408  1536.34   57.408 -0.000000 0.000000 
1 1 1    9    0   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0   33 o  212.844   74.919   1.5368   0.7441   1.5368   0.7441   0.0000   0.0000  212.844   74.919  212.844   74.919 0.000000 0.000000 
1 1 1    9    0   35 f   60.166   38.747   0.0000   0.2762   0.0000   0.2762   0.0000   0.0000   60.166   38.747   60.166   38.747 0.000000 0.000000 
1 1 1    9    0   37 o  521.417   62.900   7.3573   1.6211   0.0000   0.0000   7.3573   1.6211  521.417   62.900  521.417   62.900 -0.000000 0.000000 
1 1 1    9    0   39 o  1088.74   58.681   31.091   3.2629   31.091   3.2629   0.0000   0.0000  1088.74   58.681  1088.74   58.681 0.000000 0.000000 
1 1 1    9    0   41 o  930.842   59.615   22.884   2.8261   22.884   2.8261   0.0000   0.0000  930.842   59.615  930.842   59.615 0.000000 0.000000 
1 1 1    9    0   43 o  399.691   70.144   4.5579   1.3087   0.0000   0.0000   4.5579   1.3087  399.691   70.144  399.691   70.144 -0.000000 0.000000 
1 1 1    9    0   45 o  466.635   44.795   5.8234   1.0519   5.8234   1.0519   0.0000   0.0000  466.635   44.795  466.635   44.795 0.000000 0.000000 
1 1 1    9    0   47 o  629.829   42.887   10.487   1.3740   0.0000   0.0000   10.487   1.3740  629.829   42.887  629.829   42.887 -0.000000 0.000000 
1 1 1    9    0   49 o  785.059   43.131   16.256   1.7289   16.256   1.7289   0.0000   0.0000  785.059   43.131  785.059   43.131 0.000000 0.000000 
1 1 1    9    0   51 o  715.455   43.033   13.559   1.5698   13.559   1.5698   0.0000   0.0000  715.455   43.033  715.455   43.033 0.000000 0.000000 
1 1 1    9    0   53 o  324.610   50.897   2.9791   0.7871   0.0000   0.0000   2.9791   0.7871  324.610   50.897  324.610   50.897 -0.000000 0.000000 
1 1 1    9    0   55 o  291.710   55.308   2.4938   0.7427   2.4938   0.7427   0.0000   0.0000  291.710   55.308  291.710   55.308 0.000000 0.000000 
1 1 1    9    0   57 f  575.495   44.508   8.9831   1.2988   8.9831   1.2988   0.0000   0.0000  575.495   44.508  575.495   44.508 0.000000 0.000000 
1 1 1    9    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    1    2 o  1338.06   33.080   46.188   2.2755   46.979   3.2344   45.413   3.2018  1349.42   46.621  1326.70   46.942 22.72168 66.15932 
1 1 1    9    1    4 o  1375.59   29.875   48.807   2.1118   48.143   3.0223   49.440   2.9520  1366.37   43.023  1384.80   41.463 -18.43640 59.75041 
1 1 1    9    1    6 o  2611.21   27.299  175.681   3.6642  173.141   5.1224  178.342   5.2436  2591.92   38.440  2630.50   38.772 -38.58276 54.59794 
1 1 1    9    1    8 o  1787.40   26.736   82.326   2.4559   79.129   3.4478   85.620   3.4993  1752.12   38.274  1822.68   37.342 -70.55945 53.47270 
1 1 1    9    1   10 o  705.130   53.432   12.855   1.9371   12.855   1.9371   0.0000   0.0000  705.130   53.432  ?   ?       ?      ? 
1 1 1    9    1   12 o  883.974   33.025   20.068   1.4169   20.561   2.4610   19.824   1.7329  891.315   53.706  876.634   38.449 14.68085 66.05030 
1 1 1    9    1   14 o  1280.25   27.226   42.322   1.7921   42.336   2.5333   42.307   2.5353  1280.47   38.482  1280.03   38.525 0.4389648 54.45218 
1 1 1    9    1   16 o  1037.63   33.972   28.321   1.7003   29.153   2.0898   26.692   2.9243  1062.10   38.271  1013.17   56.141 48.93213 67.94468 
1 1 1    9    1   18 o  106.656   26.294   0.2618   0.1857   0.3791   0.2235  -0.0000   0.3339  119.863   34.441   93.448   39.742 26.41437 52.58856 
1 1 1    9    1   20 o  421.363   40.064   4.6255   0.8611   3.9555   1.2157   5.2999   1.2198  390.340   60.580  452.387   52.445 -62.04694 80.12766 
1 1 1    9    1   22 o  1679.93   55.294   73.003   4.7757   0.0000   0.0000   73.003   4.7757  ?   ?   1679.93   55.294      ?      ? 
1 1 1    9    1   24 o  1037.16   39.601   27.733   2.1117   0.0000   0.0000   27.733   2.1117  ?   ?   1037.16   39.601      ?      ? 
1 1 1    9    1   26 o  1458.56   39.762   54.851   2.9817   0.0000   0.0000   54.851   2.9817  ?   ?   1458.56   39.762      ?      ? 
1 1 1    9    1   28 o  2134.73   39.707  117.939   4.3573  116.002   6.1769  119.858   6.1475  2117.14   56.748  2152.33   55.555 -35.19580 79.41442 
1 1 1    9    1   30 o  1380.69   56.673   49.383   4.0229   49.383   4.0229   0.0000   0.0000  1380.69   56.673  ?   ?       ?      ? 
1 1 1    9    1   32 f  1042.95   40.445   28.091   2.1687   28.091   2.1687   0.0000   0.0000  1042.95   40.445  ?   ?       ?      ? 
1 1 1    9    1   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    1   36 o  1570.88   40.912   64.564   3.2905   57.648   4.6374   71.577   4.6697  1484.73   60.751  1657.03   54.814 -172.2979 81.82467 
1 1 1    9    1   38 o  906.966   41.326   21.593   1.9259   20.707   2.7188   22.485   2.7284  887.942   59.556  925.991   57.311 -38.04956 82.65287 
1 1 1    9    1   40 o  1081.31   35.112   30.016   1.8579   28.698   2.2777   32.636   3.2119  1049.37   42.217  1113.26   56.117 -63.88110 70.22373 
1 1 1    9    1   42 o  566.412   43.027   8.6085   1.2292   10.636   1.7581   6.6697   1.7191  634.297   53.912  498.527   67.074 135.7691 86.05455 
1 1 1    9    1   44 o  437.602   61.297   5.1481   1.3791   5.1481   1.3791   0.0000   0.0000  437.602   61.297  ?   ?       ?      ? 
1 1 1    9    1   46 o  516.987   30.471   7.0574   0.8091   6.6442   1.1321   7.4888   1.1568  501.254   43.931  532.721   42.238 -31.46732 60.94232 
1 1 1    9    1   48 o  392.616   31.209   4.1043   0.6244   3.4426   0.8707   4.8049   0.8958  359.057   47.164  426.175   40.885 -67.11862 62.41870 
1 1 1    9    1   50 o  183.889   31.573   0.9115   0.3355   1.5122   0.4728   0.3022   0.4762  239.038   38.469  128.740   50.076 110.2971 63.14656 
1 1 1    9    1   52 o  241.044   47.826   1.7178   0.6188   1.8602   0.8375   1.5466   0.9181  252.294   64.360  229.793   70.759 22.50060 95.65102 
1 1 1    9    1   54 o  256.717   48.699   1.9912   0.6557   1.9890   0.9050   1.9936   0.9512  257.124   67.574  256.310   70.144 0.8139038 97.39848 
1 1 1    9    1   56 o  158.733   32.004   0.7002   0.2952   1.0474   0.4134   0.3391   0.4217  192.397   42.890  125.070   47.512 67.32700 64.00763 
1 1 1    9    1   58 o  105.451   29.643   0.1946   0.2386   0.2205   0.3103   0.1573   0.3730  104.972   40.537  105.930   43.263 -0.9581299 59.28661 
1 1 1    9    2    1 o  1513.76   47.590   59.353   3.7035   59.057   5.2587   59.644   5.2167  1509.94   67.740  1517.57   66.862 -7.623535 95.18015 
1 1 1    9    2    3 f  480.804   31.554   5.9873   0.7766   5.5823   1.1258   6.3551   1.0728  465.132   47.077  496.476   42.028 -31.34384 63.10789 
1 1 1    9    2    5 o  804.562   28.395   16.684   1.1745   16.482   1.6479   16.893   1.6743  799.611   40.084  809.514   40.229 -9.903320 56.79050 
1 1 1    9    2    7 o  590.199   27.083   8.9732   0.8213   8.8499   1.1387   9.1070   1.1858  585.995   37.795  594.404   38.802 -8.408569 54.16694 
1 1 1    9    2    9 o  1324.02   38.008   45.317   2.5870   45.426   3.6368   45.204   3.6808  1325.69   53.360  1322.34   54.141 3.347290 76.01658 
1 1 1    9    2   11 o  828.481   33.488   18.086   1.3363   18.809   1.6449   16.683   2.2918  854.076   37.461  802.886   55.520 51.18945 66.97651 
1 1 1    9    2   13 o  405.616   38.998   4.2881   0.8067   3.6792   1.1441   4.8898   1.1375  376.581   59.094  434.652   50.903 -58.07114 77.99530 
1 1 1    9    2   15 o  635.617   39.082   10.534   1.2651   12.339   1.8061   8.7957   1.7725  689.777   50.930  581.456   59.293 108.3200 78.16367 
1 1 1    9    2   17 o  1350.75   38.879   47.421   2.6987   49.388   3.8397   45.501   3.7938  1378.65   54.172  1322.85   55.782 55.79370 77.75769 
1 1 1    9    2   19 o  965.387   33.728   23.867   1.5827   24.916   2.7523   23.348   1.9346  980.024   54.624  950.749   39.579 29.27472 67.45583 
1 1 1    9    2   21 o  575.254   39.431   8.5369   1.1662   0.0000   0.0000   8.5369   1.1662  ?   ?   575.254   39.431      ?      ? 
1 1 1    9    2   23 o  1583.42   39.480   64.644   3.2140   64.644   3.2140   0.0000   0.0000  1583.42   39.480  ?   ?       ?      ? 
1 1 1    9    2   25 o  1123.31   33.888   32.235   1.8582   31.516   2.2808   33.653   3.2043  1105.60   40.126  1141.02   54.622 -35.42126 67.77628 
1 1 1    9    2   27 f  1515.77   34.446   59.644   2.5336   60.275   3.1156   58.411   4.3532  1528.88   39.637  1502.66   56.348 26.21790 68.89221 
1 1 1    9    2   29 o  267.769   43.541   1.9395   0.5966   1.3406   0.8373   2.5570   0.8503  225.798   67.165  309.740   55.428 -83.94199 87.08254 
1 1 1    9    2   31 o  539.237   41.034   7.5729   1.1274   8.8056   1.6042   6.3700   1.5847  583.137   53.507  495.338   62.225 87.79913 82.06724 
1 1 1    9    2   33 o  893.336   57.349   20.724   2.6340   20.724   2.6340   0.0000   0.0000  893.336   57.349  ?   ?       ?      ? 
1 1 1    9    2   35 o  935.352   40.883   22.642   1.9660   22.642   1.9660   0.0000   0.0000  935.352   40.883  ?   ?       ?      ? 
1 1 1    9    2   37 o  1106.02   40.944   31.732   2.3282   31.732   2.3282   0.0000   0.0000  1106.02   40.944  ?   ?       ?      ? 
1 1 1    9    2   39 o  691.758   41.399   12.447   1.4724   12.447   1.4724   0.0000   0.0000  691.758   41.399  ?   ?       ?      ? 
1 1 1    9    2   41 o  1662.27   35.849   72.669   2.8887   72.761   3.5437   72.486   4.9871  1670.00   41.273  1654.53   58.627 15.46814 71.69854 
1 1 1    9    2   43 o  1019.80   42.106   27.785   2.2056   29.182   3.1267   26.400   3.1118  1046.24   58.129  993.365   60.930 52.87183 84.21113 
1 1 1    9    2   45 o  350.878   46.295   3.5072   0.8355   6.3522   1.2293   1.0647   1.1391  489.237   48.874  212.519   78.639 276.7183 92.58904 
1 1 1    9    2   47 o  815.197   30.268   17.610   1.2665   18.710   1.7886   16.505   1.7935  841.540   41.341  788.854   44.223 52.68628 60.53684 
1 1 1    9    2   49 o  915.204   30.265   22.281   1.4220   20.863   2.0063   23.712   2.0156  885.000   44.094  945.407   41.469 -60.40698 60.53085 
1 1 1    9    2   51 o  356.083   39.029   3.4725   0.6601   3.3843   0.8118   3.6446   1.1340  355.326   44.439  356.839   64.173 -1.513245 78.05808 
1 1 1    9    2   53 o  189.652   40.127   0.9420   0.3993   0.7767   0.4813   1.3072   0.7153  167.163   51.189  212.141   61.809 -44.97801 80.25323 
1 1 1    9    2   55 o  341.663   34.860   3.2866   0.5827   2.5053   0.8147   4.1043   0.8336  294.304   55.890  389.022   41.677 -94.71783 69.71912 
1 1 1    9    2   57 o  601.748   32.970   10.114   1.0118   8.6636   1.4185   11.617   1.4438  554.461   49.760  649.036   43.267 -94.57544 65.94005 
1 1 1    9    3    0 f  670.123   69.412   11.956   2.3327   11.956   2.3327   0.0000   0.0000  670.123   69.412  670.123   69.412 0.000000 0.000000 
1 1 1    9    3    2 f  2014.46   32.516  104.503   3.3646  109.820   4.8791   99.681   4.6460  2063.23   45.996  1965.69   45.972 97.53894 65.03123 
1 1 1    9    3    4 o  2323.87   38.537  137.604   4.2019  134.900   4.9843  144.248   7.8123  2287.28   42.385  2360.47   64.374 -73.18970 77.07452 
1 1 1    9    3    6 o  2344.76   40.329  142.294   4.8078  143.170   6.3562  141.123   7.3502  2354.22   52.515  2335.30   61.219 18.92700 80.65741 
1 1 1    9    3    8 o  573.891   53.463   8.5120   1.5774   8.5120   1.5774   0.0000   0.0000  573.891   53.463  ?   ?       ?      ? 
1 1 1    9    3   10 o  1458.31   34.165   56.828   2.3707   60.424   2.9074   49.695   4.0952  1530.98   36.937  1385.64   57.485 145.3378 68.32925 
1 1 1    9    3   12 o  600.106   38.021   9.3218   1.1729   9.5149   1.6690   9.1333   1.6488  606.265   53.545  593.948   53.994 12.31647 76.04276 
1 1 1    9    3   14 o  1259.57   32.854   40.287   2.0209   43.516   3.5071   38.682   2.4727  1295.43   52.658  1223.71   39.302 71.71899 65.70825 
1 1 1    9    3   16 o  286.188   37.247   2.3366   0.4907   1.7242   0.8464   2.6466   0.6022  252.301   64.888  320.075   36.592 -67.77408 74.49430 
1 1 1    9    3   18 o  794.779   34.233   16.519   1.3139   15.921   2.2687   16.820   1.6116  782.742   56.375  806.817   38.852 -24.07489 68.46605 
1 1 1    9    3   20 o  767.665   32.699   14.599   1.2384   13.148   1.5191   17.475   2.1386  713.569   41.407  821.760   50.619 -108.1917 65.39732 
1 1 1    9    3   22 o  1959.04   55.756   99.278   5.6157   99.278   5.6157   0.0000   0.0000  1959.04   55.756  ?   ?       ?      ? 
1 1 1    9    3   24 o  396.630   39.900   4.0689   0.8134   3.9579   1.1515   4.1795   1.1490  391.194   57.255  402.066   55.587 -10.87241 79.79977 
1 1 1    9    3   26 f  1867.38   34.383   90.484   3.1144   91.393   3.8278   88.704   5.3567  1882.74   39.544  1852.02   56.258 30.71484 68.76583 
1 1 1    9    3   28 o  1324.16   35.051   46.213   2.2352   48.050   2.7508   42.641   3.8347  1364.97   39.198  1283.35   58.119 81.61633 70.10224 
1 1 1    9    3   30 o  590.092   34.962   8.9828   1.0005   8.9396   1.2248   9.0694   1.7344  588.541   40.477  591.644   57.018 -3.102783 69.92485 
1 1 1    9    3   32 o  1251.25   40.134   40.631   2.5811   39.817   3.6668   41.430   3.6339  1238.66   57.579  1263.85   55.925 -25.18823 80.26786 
1 1 1    9    3   34 o  1924.33   40.493   95.738   4.0062   95.738   4.0062   0.0000   0.0000  1924.33   40.493  ?   ?       ?      ? 
1 1 1    9    3   36 o  131.435   31.264   0.4079   0.2727   0.6326   0.3396   0.0000   0.4576  153.746   41.841  109.123   46.467 44.62242 62.52846 
1 1 1    9    3   38 o  172.836   47.649   0.8027   0.4371   0.8027   0.4371   0.0000   0.0000  172.836   47.649  ?   ?       ?      ? 
1 1 1    9    3   40 o  1095.31   41.360   31.254   2.3291   31.254   2.3291   0.0000   0.0000  1095.31   41.360  ?   ?       ?      ? 
1 1 1    9    3   42 o  501.023   59.481   6.6788   1.5322   6.6788   1.5322   0.0000   0.0000  501.023   59.481  ?   ?       ?      ? 
1 1 1    9    3   44 o  154.787   48.295   0.6315   0.4261   0.6315   0.4261   0.0000   0.0000  154.787   48.295  ?   ?       ?      ? 
1 1 1    9    3   46 f  886.848   36.821   20.948   1.5806   20.767   1.9331   21.314   2.7454  886.928   42.392  886.768   60.218 0.1595459 73.64299 
1 1 1    9    3   48 o  498.535   38.535   6.7693   0.9241   6.8684   1.1315   6.5707   1.6016  508.619   43.270  488.451   63.775 20.16791 77.06905 
1 1 1    9    3   50 o  611.394   30.543   9.9686   0.9598   9.6579   1.3512   10.285   1.3635  601.523   43.693  621.266   42.689 -19.74219 61.08520 
1 1 1    9    3   52 o  387.356   47.127   4.3437   0.9020   3.4246   1.2681   5.2850   1.2834  337.955   74.949  436.758   57.153 -98.80252 94.25410 
1 1 1    9    3   54 o  160.285   36.075   0.6877   0.3860   0.0000   0.6241   1.1139   0.4913  122.750   53.285  197.820   48.646 -75.07002 72.15025 
1 1 1    9    3   56 o  255.323   36.516   1.8741   0.4702   1.5301   0.6655   2.2169   0.6644  227.163   57.060  283.483   45.584 -56.31956 73.03298 
1 1 1    9    3   58 o  141.762   33.732   0.5484   0.2997   0.3541   0.4453   0.7092   0.4052  126.634   48.653  156.890   46.737 -30.25547 67.46412 
1 1 1    9    4    1 o  2751.22   67.730  196.091   9.5803  196.091   9.5803   0.0000   0.0000  2751.22   67.730  ?   ?       ?      ? 
1 1 1    9    4    3 o  942.583   41.888   23.578   1.8413   24.480   2.2081   21.517   3.3364  974.242   44.084  910.924   71.240 63.31860 83.77642 
1 1 1    9    4    5 o  901.843   64.655   21.062   2.9978   0.0000   0.0000   21.062   2.9978  ?   ?   901.843   64.655      ?      ? 
1 1 1    9    4    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    4    9 o  1840.78   32.966   86.958   2.9807   89.267   5.0517   85.724   3.6918  1858.27   52.876  1823.29   39.384 34.97827 65.93172 
1 1 1    9    4   11 o  622.124   33.868   10.220   1.0127   9.3672   1.7407   10.656   1.2451  601.467   56.291  642.781   37.677 -41.31415 67.73598 
1 1 1    9    4   13 o  793.457   33.355   16.329   1.2828   16.158   2.2145   16.415   1.5738  789.482   54.558  797.432   38.387 -7.950439 66.70940 
1 1 1    9    4   15 o  653.971   33.019   10.966   1.0560   10.719   1.2991   11.447   1.8132  643.972   39.238  663.970   53.116 -19.99866 66.03741 
1 1 1    9    4   17 o  604.237   32.756   9.1818   0.9729   8.5712   1.1936   10.391   1.6796  575.742   40.323  632.733   51.632 -56.99072 65.51255 
1 1 1    9    4   19 o  763.571   33.285   14.906   1.2422   14.522   1.5258   15.662   2.1391  749.881   39.575  777.262   53.529 -27.38062 66.57033 
1 1 1    9    4   21 o  1538.93   55.690   61.295   4.4062   61.295   4.4062   0.0000   0.0000  1538.93   55.690  ?   ?       ?      ? 
1 1 1    9    4   23 o  3305.46   33.943  281.781   5.4577  281.128   6.7059  283.063   9.3924  3302.11   39.500  3308.81   55.212 -6.702881 67.88693 
1 1 1    9    4   25 o  1993.05   34.455  103.539   3.3245  105.551   4.0883   99.613   5.7118  2023.43   39.299  1962.67   56.605 60.76563 68.90979 
1 1 1    9    4   27 o  3583.72   32.786  336.369   5.2218  341.284   6.0486  321.986   10.347  3639.83   32.323  3527.60   57.051 112.2361 65.57116 
1 1 1    9    4   29 o  744.675   33.187   14.606   1.0972   14.894   1.2721   13.769   2.1684  760.255   32.545  729.094   57.848 31.16101 66.37445 
1 1 1    9    4   31 o  918.876   32.087   21.340   1.3321   20.833   1.5418   22.835   2.6461  898.928   33.360  938.825   54.821 -39.89716 64.17346 
1 1 1    9    4   33 o  2144.13   57.274  119.398   6.3136  119.398   6.3136   0.0000   0.0000  2144.13   57.274  ?   ?       ?      ? 
1 1 1    9    4   35 o  312.103   39.185   2.6792   0.5734   2.8843   0.7099   2.2942   0.9726  333.772   41.372  290.435   66.559 43.33759 78.36935 
1 1 1    9    4   37 o  718.958   35.642   13.560   1.2443   13.742   1.5332   13.210   2.1297  727.755   40.978  710.161   58.329 17.59351 71.28405 
1 1 1    9    4   39 o  112.054   30.519   0.2148   0.2175   0.2097   0.2475   0.2319   0.4559  100.302   36.730  123.805   48.751 -23.50250 61.03897 
1 1 1    9    4   41 o  470.190   42.616   5.7753   1.0302   5.7753   1.0302   0.0000   0.0000  470.190   42.616  ?   ?       ?      ? 
1 1 1    9    4   43 o  1030.53   59.286   28.373   3.1411   28.373   3.1411   0.0000   0.0000  1030.53   59.286  ?   ?       ?      ? 
1 1 1    9    4   45 o  242.244   69.157   1.6531   0.9039   1.6531   0.9039   0.0000   0.0000  242.244   69.157  ?   ?       ?      ? 
1 1 1    9    4   47 o  507.978   37.458   6.8302   0.9314   6.5884   1.1456   7.3018   1.5999  498.135   44.731  517.822   60.097 -19.68695 74.91611 
1 1 1    9    4   49 o  546.584   38.394   8.0689   1.0142   7.9986   1.2395   8.2115   1.7641  547.925   43.999  545.243   62.932 2.681885 76.78754 
1 1 1    9    4   51 o  552.745   44.316   8.1918   1.2594   8.1918   1.2594   0.0000   0.0000  552.745   44.316  ?   ?       ?      ? 
1 1 1    9    4   53 o  878.262   37.804   20.721   1.6200   19.460   1.9767   23.300   2.8270  847.339   45.376  909.185   60.478 -61.84570 75.60811 
1 1 1    9    4   55 o  543.841   32.401   8.1139   0.9045   8.7048   1.2905   7.5434   1.2680  564.288   44.484  523.394   47.122 40.89392 64.80182 
1 1 1    9    4   57 o  254.596   37.521   1.9101   0.4748   2.0612   0.6579   1.7459   0.6859  267.243   49.716  241.949   56.210 25.29428 75.04205 
1 1 1    9    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    5    2 o  1240.80   68.381   39.898   4.3622   0.0000   0.0000   39.898   4.3622  ?   ?   1240.80   68.381      ?      ? 
1 1 1    9    5    4 o  1650.45   53.983   70.384   4.5807   0.0000   0.0000   70.384   4.5807  ?   ?   1650.45   53.983      ?      ? 
1 1 1    9    5    6 o  504.692   40.032   6.6025   1.0349   6.3710   1.5143   6.8053   1.4175  496.226   59.356  513.158   53.730 -16.93201 80.06310 
1 1 1    9    5    8 o  2208.73   33.825  125.231   3.6737  128.512   6.2107  123.465   4.5562  2229.45   54.184  2188.01   40.503 41.44019 67.64902 
1 1 1    9    5   10 o  2170.75   33.974  122.435   3.5263  123.644   4.2766  119.868   6.2326  2189.65   37.988  2151.85   56.336 37.80005 67.94775 
1 1 1    9    5   12 o  2015.55   33.650  106.593   3.2687  109.668   4.0132  100.533   5.6338  2061.57   37.864  1969.54   55.638 92.03503 67.29945 
1 1 1    9    5   14 o  1790.59   33.286   83.466   2.8963   84.384   3.5680   81.693   4.9596  1807.32   38.399  1773.85   54.383 33.46484 66.57291 
1 1 1    9    5   16 o  798.038   33.891   16.767   1.3082   17.307   1.6135   15.731   2.2349  818.302   38.351  777.774   55.890 40.52783 67.78256 
1 1 1    9    5   18 o  667.379   33.769   11.583   1.0925   11.686   1.3418   11.381   1.8818  672.618   38.802  662.139   55.279 10.47900 67.53837 
1 1 1    9    5   20 o  753.182   33.541   14.511   1.2364   14.181   1.5220   15.151   2.1200  741.322   39.933  765.041   53.900 -23.71893 67.08099 
1 1 1    9    5   22 o  1519.72   39.342   59.551   3.0739   59.551   3.0739   0.0000   0.0000  1519.72   39.342  ?   ?       ?      ? 
1 1 1    9    5   24 o  1553.19   33.833   61.656   2.5690   60.319   3.1591   64.268   4.4143  1529.53   40.173  1576.85   54.451 -47.31238 67.66644 
1 1 1    9    5   26 o  393.794   30.451   3.6694   0.5528   3.3044   0.6383   4.7644   1.1056  358.116   34.670  429.472   50.071 -71.35571 60.90196 
1 1 1    9    5   28 o  879.297   32.514   19.978   1.2788   19.990   1.4807   19.942   2.5366  880.807   32.698  877.788   56.208 3.019165 65.02716 
1 1 1    9    5   30 o  1711.26   32.975   76.698   2.5061   77.733   2.9013   73.657   4.9742  1736.66   32.494  1685.86   57.389 50.80029 65.95000 
1 1 1    9    5   32 o  1630.61   40.317   69.042   3.3749   73.804   4.7979   64.378   4.7482  1686.75   55.327  1574.48   58.658 112.2686 80.63378 
1 1 1    9    5   34 o  1192.19   32.288   35.812   1.7347   34.778   2.0027   38.919   3.4709  1160.75   33.559  1223.63   55.172 -62.87927 64.57685 
1 1 1    9    5   36 o  1234.96   32.527   38.693   1.8089   37.737   2.0899   41.550   3.6117  1208.22   33.644  1261.69   55.679 -53.46741 65.05464 
1 1 1    9    5   38 o  192.448   33.901   0.8769   0.3095   0.6931   0.3627   1.3684   0.5931  160.518   43.062  224.377   52.371 -63.85880 67.80122 
1 1 1    9    5   40 o  239.796   36.689   1.4722   0.3929   1.4069   0.4507   1.6788   0.8019  232.619   37.686  246.973   62.961 -14.35484 73.37840 
1 1 1    9    5   42 o  1283.79   42.227   44.085   2.7600   36.998   3.8797   51.347   3.9274  1175.36   64.203  1392.21   54.869 -216.8513 84.45444 
1 1 1    9    5   44 o  196.714   37.296   1.1426   0.4042   1.4707   0.5005   0.5274   0.6854  232.926   43.392  160.501   60.672 72.42410 74.59157 
1 1 1    9    5   46 o  686.933   42.657   12.467   1.5065   12.467   1.5065   0.0000   0.0000  686.933   42.657  ?   ?       ?      ? 
1 1 1    9    5   48 o  654.063   43.336   11.364   1.4573   11.364   1.4573   0.0000   0.0000  654.063   43.336  ?   ?       ?      ? 
1 1 1    9    5   50 o  424.507   45.214   4.8253   0.9868   4.8253   0.9868   0.0000   0.0000  424.507   45.214  ?   ?       ?      ? 
1 1 1    9    5   52 o  705.056   44.507   13.985   1.6045   15.903   2.3140   12.210   2.2268  754.707   59.637  655.405   66.084 99.30176 89.01476 
1 1 1    9    5   54 o  448.091   39.482   5.5262   0.8665   5.9999   1.4869   5.2826   1.0663  457.007   63.285  439.174   47.227 17.83270 78.96458 
1 1 1    9    5   56 o  248.081   37.076   1.7501   0.4726   1.0880   0.6390   2.5493   0.7020  192.030   59.015  304.132   44.897 -112.1022 74.15152 
1 1 1    9    5   58 o  214.662   37.142   1.3531   0.4099   1.7288   0.6121   1.0476   0.5519  242.347   50.756  186.977   54.240 55.37042 74.28439 
1 1 1    9    6    1 o  1146.09   42.168   33.871   2.4847   33.871   2.4847   0.0000   0.0000  1146.09   42.168  ?   ?       ?      ? 
1 1 1    9    6    3 o  820.786   41.820   17.372   1.7648   17.372   1.7648   0.0000   0.0000  820.786   41.820  ?   ?       ?      ? 
1 1 1    9    6    5 o  862.733   40.464   19.191   1.7948   19.191   1.7948   0.0000   0.0000  862.733   40.464  ?   ?       ?      ? 
1 1 1    9    6    7 o  1307.08   37.480   44.780   2.2556   45.587   2.6670   42.751   4.2269  1329.70   39.012  1284.45   64.008 45.24744 74.95982 
1 1 1    9    6    9 o  858.354   36.157   19.681   1.4414   20.624   1.7284   17.529   2.6119  894.338   37.590  822.370   61.775 71.96808 72.31316 
1 1 1    9    6   11 o  944.885   33.570   22.911   1.5264   22.604   1.8511   23.566   2.6984  935.960   38.468  953.809   55.026 -17.84949 67.13932 
1 1 1    9    6   13 o  1094.04   38.469   31.092   2.1596   28.790   3.0463   33.417   3.0621  1052.94   56.272  1135.15   52.468 -82.20422 76.93822 
1 1 1    9    6   15 o  771.183   33.647   16.487   1.1249   17.577   1.3078   13.387   2.2050  825.458   30.817  716.908   59.824 108.5496 67.29494 
1 1 1    9    6   17 o  1119.26   31.388   32.237   1.5806   32.038   1.8329   32.812   3.1217  1114.41   31.991  1124.12   54.014 -9.710327 62.77684 
1 1 1    9    6   19 o  1815.12   34.052   86.322   2.9953   88.666   3.6955   81.832   5.1141  1853.48   38.781  1776.77   55.985 76.71191 68.10496 
1 1 1    9    6   21 o  1440.21   39.163   53.490   2.8998   53.490   2.8998   0.0000   0.0000  1440.21   39.163  ?   ?       ?      ? 
1 1 1    9    6   23 o  1667.24   32.331   72.641   2.4014   73.580   2.7836   69.909   4.7483  1690.23   32.033  1644.26   56.169 45.96399 64.66134 
1 1 1    9    6   25 o  1253.35   34.019   40.358   2.0800   39.931   2.5584   41.190   3.5723  1244.46   39.987  1262.23   55.048 -17.76880 68.03830 
1 1 1    9    6   27 o  284.032   36.192   2.2756   0.4438   2.4383   0.5182   1.8275   0.8598  307.642   32.763  260.421   64.545 47.22055 72.38467 
1 1 1    9    6   29 f  1211.10   32.791   38.190   1.7684   38.492   2.0469   37.300   3.5117  1222.16   32.576  1200.04   56.919 22.12573 65.58156 
1 1 1    9    6   31 o  2042.11   34.766  108.103   3.4448  108.513   4.2288  107.294   5.9390  2050.10   40.121  2034.13   56.790 15.97510 69.53238 
1 1 1    9    6   33 o  1496.15   40.395   57.846   3.1072   57.846   3.1072   0.0000   0.0000  1496.15   40.395  ?   ?       ?      ? 
1 1 1    9    6   35 o  409.533   34.785   4.2087   0.7036   3.8592   0.8661   4.8868   1.2064  385.849   43.660  433.217   54.165 -47.36865 69.57069 
1 1 1    9    6   37 o  1074.39   35.468   32.017   1.6535   33.966   1.9210   26.446   3.2480  1145.96   32.606  1002.82   62.998 143.1363 70.93586 
1 1 1    9    6   39 o  1099.75   34.175   32.210   1.6688   32.828   1.9361   30.424   3.2910  1125.47   33.461  1074.04   59.599 51.43628 68.34927 
1 1 1    9    6   41 o  812.127   36.748   18.703   1.2810   20.045   1.4879   14.860   2.5186  878.651   32.937  745.604   65.702 133.0464 73.49559 
1 1 1    9    6   43 o  415.336   42.329   4.5260   0.9039   4.5260   0.9039   0.0000   0.0000  415.336   42.329  ?   ?       ?      ? 
1 1 1    9    6   45 o  260.586   45.829   1.9179   0.6114   1.9333   0.8514   1.9014   0.8784  261.872   63.821  259.299   65.788 2.573151 91.65777 
1 1 1    9    6   47 o  192.382   38.659   1.0466   0.3990   1.1624   0.5036   0.8514   0.6539  204.732   48.573  180.031   60.155 24.70049 77.31709 
1 1 1    9    6   49 o  543.721   43.415   7.8734   1.2136   7.8734   1.2136   0.0000   0.0000  543.721   43.415  ?   ?       ?      ? 
1 1 1    9    6   51 o  835.591   43.694   18.714   1.8771   18.714   1.8771   0.0000   0.0000  835.591   43.694  ?   ?       ?      ? 
1 1 1    9    6   53 f  664.703   44.117   11.954   1.5077   11.954   1.5077   0.0000   0.0000  664.703   44.117  ?   ?       ?      ? 
1 1 1    9    6   55 o  228.392   42.082   1.6575   0.5140   2.0133   0.6384   1.0014   0.8668  266.559   48.361  190.224   68.882 76.33556 84.16383 
1 1 1    9    6   57 o  523.008   33.661   7.6718   0.9031   8.3239   1.2903   7.0457   1.2643  546.292   45.941  499.725   49.211 46.56720 67.32203 
1 1 1    9    7    0 o  2043.54   67.823  108.150   7.1080  108.150   7.1080   0.0000   0.0000  2043.54   67.823  2043.54   67.823 0.000000 0.000000 
1 1 1    9    7    2 o  904.701   39.944   21.048   1.6572   20.910   1.9424   21.417   3.1769  900.456   41.957  908.947   67.983 -8.490967 79.88776 
1 1 1    9    7    4 o  3282.66   37.349  276.851   4.9732  275.847   5.5320  281.083   11.355  3272.46   32.880  3292.85   67.071 -20.39258 74.69736 
1 1 1    9    7    6 o  1037.22   35.523   27.150   1.5261   26.721   1.7043   28.889   3.4286  1018.47   32.548  1055.96   63.153 -37.48639 71.04698 
1 1 1    9    7    8 o  344.430   33.252   2.9248   0.4910   2.8188   0.5528   3.3203   1.0681  330.764   32.509  358.095   58.016 -27.33115 66.50381 
1 1 1    9    7   10 o  1155.63   35.349   35.064   1.9214   35.877   2.3084   33.231   3.4670  1179.26   38.074  1132.00   59.571 47.25854 70.69887 
1 1 1    9    7   12 o  706.892   34.253   13.046   1.1592   13.243   1.4096   12.636   2.0376  716.130   38.284  697.654   56.809 18.47583 68.50513 
1 1 1    9    7   14 o  759.752   38.590   15.002   1.5067   14.448   2.1273   15.560   2.1342  745.523   55.500  773.982   53.634 -28.45825 77.18069 
1 1 1    9    7   16 o  1053.88   33.551   28.941   1.7166   29.277   2.1130   28.289   2.9440  1064.35   38.613  1043.41   54.880 20.94641 67.10297 
1 1 1    9    7   18 o  1388.77   39.018   50.092   2.7820   47.729   3.9705   52.370   3.8990  1356.16   56.947  1421.39   53.355 -65.23303 78.03641 
1 1 1    9    7   20 o  1202.55   39.197   37.301   2.4234   37.301   2.4234   0.0000   0.0000  1202.55   39.197  ?   ?       ?      ? 
1 1 1    9    7   22 o  796.200   33.729   16.285   1.3107   16.109   1.6130   16.627   2.2490  790.432   39.692  801.967   54.545 -11.53595 67.45806 
1 1 1    9    7   24 o  567.070   32.648   7.8208   0.9165   6.6448   1.1253   10.138   1.5795  507.542   43.123  626.598   49.030 -119.0562 65.29620 
1 1 1    9    7   26 o  1117.75   32.231   32.213   1.6138   32.175   1.8692   32.323   3.1985  1117.59   32.532  1117.91   55.651 -0.3186035 64.46164 
1 1 1    9    7   28 o  690.593   36.503   13.705   1.0621   15.029   1.2328   9.8938   2.0922  763.771   31.395  617.414   65.911 146.3565 73.00641 
1 1 1    9    7   30 o  1749.07   32.094   77.937   2.5279   76.766   2.9264   81.381   5.0178  1725.70   32.984  1772.44   55.065 -46.73938 64.18799 
1 1 1    9    7   32 f  928.606   40.435   22.278   1.9305   22.278   1.9305   0.0000   0.0000  928.606   40.435  ?   ?       ?      ? 
1 1 1    9    7   34 o  664.457   33.368   11.447   0.9872   11.447   1.1405   11.449   1.9712  665.861   33.314  663.053   57.825 2.808411 66.73534 
1 1 1    9    7   36 o  172.590   32.828   0.6164   0.2835   0.3650   0.3303   1.3201   0.5526  124.284   42.740  220.896   49.840 -96.61187 65.65649 
1 1 1    9    7   38 o  916.047   32.716   21.268   1.3517   20.631   1.5615   23.171   2.6999  892.420   34.032  939.673   55.885 -47.25293 65.43217 
1 1 1    9    7   40 o  191.700   34.686   0.8417   0.3191   0.6158   0.3728   1.4610   0.6173  152.167   44.703  231.233   53.049 -79.06587 69.37287 
1 1 1    9    7   42 o  1119.16   59.232   33.388   3.4082   33.388   3.4082   0.0000   0.0000  1119.16   59.232  ?   ?       ?      ? 
1 1 1    9    7   44 o  654.577   35.334   11.574   1.0163   11.779   1.1740   10.961   2.0300  671.883   33.988  637.271   61.959 34.61237 70.66867 
1 1 1    9    7   46 f  432.594   43.740   5.8608   0.7439   6.5203   0.8607   3.9121   1.4795  499.252   33.531  365.936   80.799 133.3156 87.48051 
1 1 1    9    7   48 o  220.040   37.644   1.4743   0.4850   2.1875   0.6140   0.2916   0.7907  287.250   41.578  152.830   62.767 134.4200 75.28847 
1 1 1    9    7   50 o  410.635   46.320   5.2891   0.8423   6.3803   1.0524   3.3435   1.4052  489.366   41.827  331.903   82.660 157.4628 92.64008 
1 1 1    9    7   52 o  102.723   44.201   0.0000   0.4219   0.0000   0.4219   0.0000   0.0000  102.723   44.201  ?   ?       ?      ? 
1 1 1    9    7   54 o  502.558   67.851   7.3922   1.7531   7.3922   1.7531   0.0000   0.0000  502.558   67.851  ?   ?       ?      ? 
1 1 1    9    7   56 o  372.669   47.509   3.8662   0.9103   3.8662   0.9103   0.0000   0.0000  372.669   47.509  ?   ?       ?      ? 
1 1 1    9    7   58 o  192.713   34.793   1.0761   0.3649   0.6118   0.4990   1.6094   0.5349  149.314   52.464  236.112   45.714 -86.79791 69.58614 
1 1 1    9    8    1 o  1926.12   24.288   95.602   2.3972   95.832   3.2626   95.332   3.5341  1928.82   32.900  1923.42   35.738 5.394775 48.57634 
1 1 1    9    8    3 o  879.448   29.803   19.938   1.3471   19.373   1.8785   20.536   1.9329  866.629   42.160  892.266   42.134 -25.63660 59.60512 
1 1 1    9    8    5 o  1148.98   38.172   33.132   2.0354   31.880   2.3866   36.472   3.8980  1111.68   41.756  1186.27   63.913 -74.58765 76.34426 
1 1 1    9    8    7 o  935.132   37.583   22.463   1.6292   22.263   1.9215   22.975   3.0727  928.990   40.231  941.274   63.494 -12.28375 75.16657 
1 1 1    9    8    9 o  1228.74   36.277   39.201   2.0816   39.396   2.4761   38.731   3.8442  1235.65   38.976  1221.83   61.196 13.82019 72.55386 
1 1 1    9    8   11 o  1254.60   39.746   40.873   2.5577   41.320   3.5111   40.368   3.7335  1262.34   54.100  1246.86   58.241 15.47681 79.49137 
1 1 1    9    8   13 o  747.155   33.246   14.079   1.2063   13.349   1.4637   15.626   2.1297  718.597   39.619  775.714   53.400 -57.11627 66.49244 
1 1 1    9    8   15 o  866.032   33.708   19.499   1.4135   19.616   1.7329   19.265   2.4436  871.163   38.690  860.901   55.210 10.26251 67.41684 
1 1 1    9    8   17 o  1669.50   33.123   71.276   2.7064   69.403   3.3292   74.926   4.6474  1639.17   39.504  1699.83   53.178 -60.65808 66.24564 
1 1 1    9    8   19 o  404.502   56.613   4.2380   1.1773   4.2380   1.1773   0.0000   0.0000  404.502   56.613  ?   ?       ?      ? 
1 1 1    9    8   21 o  622.391   34.692   10.248   1.0396   10.752   1.2826   9.2838   1.7749  645.777   38.631  599.006   57.634 46.77130 69.38300 
1 1 1    9    8   23 o  1748.28   33.531   77.875   2.8667   75.684   3.5213   82.182   4.9366  1713.33   39.975  1783.23   53.845 -69.90430 67.06236 
1 1 1    9    8   25 o  2581.90   39.384  172.502   5.2238  165.185   7.4070  179.742   7.3682  2527.03   57.012  2636.77   54.352 -109.7390 78.76863 
1 1 1    9    8   27 o  1505.41   33.863   57.636   2.4940   55.693   3.0614   61.468   4.3004  1469.33   40.526  1541.49   54.263 -72.15796 67.72559 
1 1 1    9    8   29 o  1763.93   33.628   83.308   2.6072   86.218   3.0211   74.818   5.1606  1829.07   32.126  1698.79   59.087 130.2871 67.25625 
1 1 1    9    8   31 o  1092.96   40.240   30.851   2.2612   30.851   2.2612   0.0000   0.0000  1092.96   40.240  ?   ?       ?      ? 
1 1 1    9    8   33 o  739.068   33.424   14.292   1.1021   14.439   1.2780   13.863   2.1773  748.030   33.230  730.106   58.004 17.92407 66.84817 
1 1 1    9    8   35 o  869.330   35.145   19.599   1.4861   19.484   1.8250   19.823   2.5602  867.191   40.933  871.469   57.141 -4.277954 70.28964 
1 1 1    9    8   37 o  1374.69   33.502   49.438   2.0482   49.636   2.3681   48.848   4.0805  1384.90   33.260  1364.47   58.167 20.42627 67.00471 
1 1 1    9    8   39 o  409.841   35.045   4.4467   0.6374   4.4957   0.7378   4.3026   1.2656  416.298   34.472  403.384   61.027 12.91388 70.09035 
1 1 1    9    8   41 o  396.395   35.532   3.9688   0.6976   3.5521   0.8600   4.7706   1.1930  368.076   45.445  424.715   54.633 -56.63922 71.06383 
1 1 1    9    8   43 f  1109.00   34.588   32.991   1.6959   33.476   1.9627   31.559   3.3692  1133.48   33.679  1084.53   60.425 48.95825 69.17686 
1 1 1    9    8   45 o  488.648   38.141   6.4231   0.8920   6.4700   1.0844   6.3252   1.5686  495.162   42.598  482.134   63.280 13.02820 76.28206 
1 1 1    9    8   47 o  363.477   35.487   3.4526   0.5780   3.3598   0.6668   3.7327   1.1587  357.509   36.280  369.444   61.001 -11.93506 70.97462 
1 1 1    9    8   49 o  696.739   42.636   14.529   1.3512   16.823   1.6699   10.179   2.2996  796.127   40.798  597.352   74.879 198.7750 85.27225 
1 1 1    9    8   51 o  208.094   44.475   1.2302   0.5256   1.5236   0.7422   0.9352   0.7443  229.529   61.609  186.660   64.161 42.86908 88.95063 
1 1 1    9    8   53 o  200.545   35.433   1.2156   0.4498   1.9417   0.5685   0.0000   0.7355  268.590   41.167  132.500   57.682 136.0900 70.86597 
1 1 1    9    8   55 o  311.152   44.288   3.0175   0.6548   3.3700   0.8111   2.3578   1.1097  350.284   45.041  272.019   76.270 78.26462 88.57645 
1 1 1    9    8   57 o  392.913   47.714   4.3441   0.9639   4.3441   0.9639   0.0000   0.0000  392.913   47.714  ?   ?       ?      ? 
1 1 1    9    9    0 o  1051.99   35.938   28.681   1.9244   28.331   2.5924   29.111   2.8720  1045.24   48.478  1058.74   53.066 0.000000 0.000000 
1 1 1    9    9    2 o  2036.34   27.295  105.889   2.8172  101.158   3.6529  112.832   4.4256  1981.17   35.863  2091.51   41.157 -110.3422 54.59004 
1 1 1    9    9    4 o  1674.67   29.633   72.341   2.5506   71.753   3.5569   72.964   3.6595  1667.73   41.483  1681.61   42.328 -13.88513 59.26651 
1 1 1    9    9    6 o  1666.72   29.186   71.616   2.4998   69.395   3.4726   74.004   3.6014  1639.94   41.187  1693.50   41.364 -53.55603 58.37236 
1 1 1    9    9    8 f  1042.86   28.739   28.099   1.5383   28.590   2.1263   27.560   2.2283  1052.58   39.293  1033.15   41.950 19.42212 57.47814 
1 1 1    9    9   10 o  301.790   43.190   2.4480   0.6546   2.7776   0.8935   2.0663   0.9617  327.349   53.091  276.231   68.139 51.11713 86.37977 
1 1 1    9    9   12 o  378.600   40.097   4.1097   0.6630   4.5750   0.7974   3.0679   1.1933  420.861   36.853  336.339   71.225 84.52155 80.19390 
1 1 1    9    9   14 f  593.656   34.238   9.1475   0.9765   9.1649   1.1871   9.1112   1.7174  595.443   38.777  591.868   56.438 3.575745 68.47520 
1 1 1    9    9   16 o  1548.93   33.218   61.250   2.5108   59.443   3.0765   64.854   4.3450  1516.82   39.451  1581.03   53.454 -64.19934 66.43541 
1 1 1    9    9   18 o  749.201   55.879   14.542   2.1524   14.542   2.1524   0.0000   0.0000  749.201   55.879  ?   ?       ?      ? 
1 1 1    9    9   20 o  1272.44   33.311   41.302   2.0750   40.197   2.5528   43.454   3.5624  1248.48   39.771  1296.41   53.448 -47.92883 66.62110 
1 1 1    9    9   22 o  1972.00   39.114  100.532   3.9654  100.947   5.6394  100.126   5.5771  1975.98   55.511  1968.01   55.120 7.970825 78.22865 
1 1 1    9    9   24 f  1607.59   39.312   66.817   3.2490   67.885   4.6123   65.765   4.5774  1620.38   55.364  1594.80   55.827 25.58459 78.62447 
1 1 1    9    9   26 o  1253.30   34.426   40.831   2.0945   41.366   2.5785   39.793   3.5911  1266.48   39.601  1240.12   56.324 26.36011 68.85232 
1 1 1    9    9   28 o  1632.82   34.269   68.612   2.7263   67.982   3.3502   69.847   4.6909  1623.17   40.146  1642.47   55.550 -19.30664 68.53818 
1 1 1    9    9   30 o  2679.43   39.961  186.081   5.5015  195.311   7.8487  177.167   7.7136  2745.09   55.613  2613.77   57.401 131.3186 79.92295 
1 1 1    9    9   32 o  683.502   34.685   11.876   1.1552   11.421   1.4106   12.802   2.0131  664.756   41.274  702.247   55.756 -37.49146 69.37078 
1 1 1    9    9   34 o  559.238   33.857   7.6916   0.9370   6.6587   1.1508   9.7237   1.6141  506.856   44.163  611.620   51.332 -104.7642 67.71471 
1 1 1    9    9   36 o  190.312   36.603   0.7916   0.3585   0.4701   0.4269   1.5604   0.6601  140.906   48.583  239.719   54.761 -98.81374 73.20598 
1 1 1    9    9   38 o  107.059   29.283   0.2028   0.2219   0.2800   0.2607   0.0000   0.4224  109.469   37.952  104.649   44.606 4.820068 58.56627 
1 1 1    9    9   40 o  988.196   35.042   26.658   1.5182   27.699   1.7614   23.651   2.9945  1033.01   33.165  943.386   61.739 89.61926 70.08349 
1 1 1    9    9   42 o  111.400   42.241   0.2350   0.3329   0.2350   0.3329   0.0000   0.0000  111.400   42.241  ?   ?       ?      ? 
1 1 1    9    9   44 o  824.728   36.104   18.783   1.2945   19.464   1.4964   16.758   2.5803  863.526   33.707  785.931   63.857 77.59497 72.20733 
1 1 1    9    9   46 o  263.651   39.363   2.2755   0.4711   2.6825   0.5483   1.1296   0.9202  320.168   33.313  207.134   71.331 113.0342 78.72675 
1 1 1    9    9   48 o  180.547   35.816   0.6632   0.3014   0.4574   0.3375   1.4730   0.6694  132.827   43.165  228.268   57.166 -95.44101 71.63168 
1 1 1    9    9   50 o  589.966   40.740   10.123   1.1240   11.259   1.3906   7.9837   1.9090  649.837   41.624  530.096   70.047 119.7416 81.48089 
1 1 1    9    9   52 o  601.321   64.048   10.275   1.9801   10.275   1.9801   0.0000   0.0000  601.321   64.048  ?   ?       ?      ? 
1 1 1    9    9   54 o  284.431   50.744   2.4531   0.7445   3.0357   1.1199   1.9918   0.9965  315.201   70.834  253.660   72.679 61.54193 101.4878 
1 1 1    9    9   56 o  229.592   42.948   1.7199   0.5307   2.0660   0.6510   1.0338   0.9165  268.330   48.993  190.855   70.555 77.47548 85.89684 
1 1 1    9   10    1 o  939.870   25.288   22.783   1.2212   22.093   1.7374   23.457   1.7169  925.743   36.505  953.996   35.005 -28.25238 50.57647 
1 1 1    9   10    3 o  599.403   29.908   9.2996   0.9188   9.9871   1.2862   8.5832   1.3129  622.205   40.206  576.600   44.289 45.60565 59.81623 
1 1 1    9   10    5 o  1037.18   29.510   27.780   1.5722   28.176   2.1866   27.357   2.2621  1044.94   40.701  1029.42   42.741 15.51624 59.02006 
1 1 1    9   10    7 o  303.988   29.664   2.4064   0.4595   2.6905   0.6379   2.0999   0.6625  322.908   38.423  285.068   45.204 37.83966 59.32734 
1 1 1    9   10    9 o  953.990   37.493   23.700   1.6478   23.836   1.9432   23.352   3.1090  960.680   39.344  947.300   63.836 13.38037 74.98617 
1 1 1    9   10   11 o  568.394   28.136   8.3490   0.8215   8.2990   1.1370   8.4036   1.1883  566.674   39.027  570.114   40.540 -3.440369 56.27269 
1 1 1    9   10   13 o  932.935   27.862   22.536   1.3342   23.295   1.8559   21.724   1.9194  949.399   38.023  916.471   40.736 32.92712 55.72401 
1 1 1    9   10   15 o  1012.35   27.770   26.513   1.4436   27.645   2.0244   25.342   2.0591  1034.53   38.061  990.178   40.448 44.35101 55.54050 
1 1 1    9   10   17 o  1287.84   55.606   42.984   3.6817   42.984   3.6817   0.0000   0.0000  1287.84   55.606  ?   ?       ?      ? 
1 1 1    9   10   19 o  732.063   34.083   13.968   1.2074   14.223   1.4839   13.469   2.0772  742.650   38.864  721.477   56.001 21.17328 68.16506 
1 1 1    9   10   21 o  1726.89   39.339   77.382   3.4749   68.612   4.9233   86.088   4.9054  1628.45   58.804  1825.32   52.272 -196.8737 78.67828 
1 1 1    9   10   23 o  3221.02   33.933  268.078   5.3172  268.567   6.5410  267.125   9.1299  3227.59   39.418  3214.45   55.244 13.14819 67.86546 
1 1 1    9   10   25 o  1500.50   33.862   57.680   2.4805   56.692   3.0487   59.615   4.2663  1482.68   39.994  1518.32   54.654 -35.63855 67.72415 
1 1 1    9   10   27 o  1469.60   33.979   55.216   2.4385   53.967   2.9945   57.677   4.2015  1446.30   40.271  1492.91   54.740 -46.60876 67.95737 
1 1 1    9   10   29 o  1515.09   34.869   59.957   2.5610   61.183   3.1548   57.588   4.3855  1539.64   39.856  1490.54   57.228 49.10571 69.73892 
1 1 1    9   10   31 o  453.040   33.635   5.2943   0.7834   5.2943   0.7834   0.0000   0.0000  453.040   33.635  ?   ?       ?      ? 
1 1 1    9   10   33 o  1076.96   35.425   30.506   1.8435   31.337   2.2686   28.889   3.1633  1100.71   40.088  1053.21   58.418 47.49561 70.84993 
1 1 1    9   10   35 o  1505.51   40.884   59.312   3.1613   56.583   4.4879   62.000   4.4538  1470.43   59.365  1540.60   56.231 -70.16931 81.76842 
1 1 1    9   10   37 o  1107.56   35.640   32.281   1.9156   32.763   2.3602   31.350   3.2789  1122.85   40.885  1092.27   58.389 30.57886 71.28019 
1 1 1    9   10   39 o  617.895   36.044   9.9775   1.0873   9.8784   1.3399   10.169   1.8608  615.410   42.347  620.381   58.340 -4.970581 72.08881 
1 1 1    9   10   41 o  1559.12   58.980   64.708   4.7277   64.708   4.7277   0.0000   0.0000  1559.12   58.980  ?   ?       ?      ? 
1 1 1    9   10   43 o  140.556   32.628   0.5085   0.2973   0.7410   0.3589   0.0000   0.5308  164.833   42.178  116.279   49.794 48.55379 65.25682 
1 1 1    9   10   45 o  517.000   43.027   7.2775   1.1382   6.5001   1.6103   8.0534   1.6089  487.769   64.213  546.232   57.290 -58.46286 86.05497 
1 1 1    9   10   47 o  279.426   37.475   1.9264   0.4556   1.7294   0.5173   2.6082   0.9625  255.903   39.316  302.948   63.811 -47.04501 74.95084 
1 1 1    9   10   49 o  480.992   37.164   6.3908   0.7813   6.5073   0.9020   6.0403   1.5639  496.917   35.306  465.067   65.407 31.84967 74.32733 
1 1 1    9   10   51 o  464.005   64.892   6.0912   1.5480   6.0912   1.5480   0.0000   0.0000  464.005   64.892  ?   ?       ?      ? 
1 1 1    9   10   53 f  476.307   45.269   6.9897   0.9626   7.9451   1.1955   5.2284   1.6232  541.732   42.924  410.882   79.717 130.8506 90.53855 
1 1 1    9   10   55 o  106.670   31.271   0.0714   0.2355   0.0000   0.2650   0.3393   0.5135   81.648   35.080  131.691   51.778 -50.04364 62.54242 
1 1 1    9   10   57 o  429.162   44.877   5.5525   0.8907   5.5146   1.0820   5.6322   1.5685  441.985   47.616  416.338   76.083 25.64713 89.75447 
1 1 1    9   11    0 o  218.141   46.500   1.5080   0.4536   1.6579   0.6776   1.3864   0.6105  229.636   66.169  206.647   65.350 -0.000000 0.000000 
1 1 1    9   11    2 o  1687.82   28.079   73.621   2.4164   74.455   3.2274   72.557   3.6454  1699.13   36.945  1676.51   42.293 22.62646 56.15717 
1 1 1    9   11    4 o  181.945   30.963   0.8941   0.2940   1.2098   0.4150   0.5760   0.4166  213.190   39.309  150.700   47.850 62.48996 61.92626 
1 1 1    9   11    6 o  1214.33   29.347   38.101   1.8306   38.538   2.5448   37.631   2.6353  1221.69   40.515  1206.96   42.468 14.72339 58.69427 
1 1 1    9   11    8 o  1699.29   38.619   75.323   2.9975   75.806   3.5174   74.040   5.7292  1712.97   39.939  1685.61   66.110 27.35657 77.23781 
1 1 1    9   11   10 o  893.789   35.369   20.903   1.5389   20.129   2.6138   21.314   1.9039  879.692   57.792  907.887   40.790 -28.19452 70.73717 
1 1 1    9   11   12 o  694.750   28.083   12.487   1.0016   12.602   1.3837   12.359   1.4518  698.255   38.545  691.244   40.851 7.010925 56.16522 
1 1 1    9   11   14 o  1122.81   27.803   32.551   1.6043   31.657   2.2295   33.512   2.3102  1106.85   39.178  1138.77   39.459 -31.91577 55.60512 
1 1 1    9   11   16 o  570.369   39.483   8.4376   1.1574   8.6027   1.6279   8.2688   1.6460  576.089   54.962  564.648   56.700 11.44141 78.96667 
1 1 1    9   11   18 o  661.158   27.746   11.290   0.9416   11.945   1.3257   10.623   1.3377  680.613   37.885  641.702   40.547 38.91138 55.49149 
1 1 1    9   11   20 o  243.025   37.381   1.6908   0.4372   1.9490   0.5324   1.1560   0.7663  274.976   37.659  211.075   64.585 63.90112 74.76273 
1 1 1    9   11   22 o  1957.59   33.949   99.154   3.2303   99.621   3.9731   98.243   5.5485  1965.78   39.312  1949.41   55.361 16.37842 67.89896 
1 1 1    9   11   24 o  922.778   33.910   21.737   1.5296   21.198   1.8793   22.793   2.6325  906.654   40.318  938.901   54.534 -32.24640 67.81976 
1 1 1    9   11   26 o  1257.69   34.292   40.886   2.0952   40.920   2.5732   40.819   3.6092  1259.52   39.738  1255.87   55.898 3.641968 68.58347 
1 1 1    9   11   28 o  607.628   34.089   9.2658   1.0154   8.6721   1.2421   10.462   1.7632  579.579   41.685  635.676   53.951 -56.09662 68.17870 
1 1 1    9   11   30 o  636.608   40.305   10.467   1.3192   10.467   1.3192   0.0000   0.0000  636.608   40.305  ?   ?       ?      ? 
1 1 1    9   11   32 o  1066.07   35.222   29.738   1.8193   30.303   2.2394   28.642   3.1200  1082.68   40.231  1049.45   57.826 33.23389 70.44393 
1 1 1    9   11   34 o  1211.85   34.122   39.375   1.8254   40.628   2.1184   35.762   3.5971  1253.99   32.858  1169.71   59.814 84.28259 68.24480 
1 1 1    9   11   36 o  629.071   31.537   9.5464   0.9155   8.7018   1.0598   12.030   1.8173  579.604   35.564  678.539   52.092 -98.93481 63.07467 
1 1 1    9   11   38 o  350.833   39.932   3.6665   0.5746   4.0290   0.6669   2.6216   1.1323  394.281   32.897  307.385   72.774 86.89590 79.86451 
1 1 1    9   11   40 o  661.733   35.388   11.379   1.1450   11.066   1.4075   11.993   1.9685  650.671   42.076  672.795   56.910 -22.12347 70.77502 
1 1 1    9   11   42 o  711.121   35.526   13.008   1.2394   12.187   1.5187   14.646   2.1445  681.068   43.373  741.174   56.277 -60.10602 71.05149 
1 1 1    9   11   44 o  246.760   36.549   1.4198   0.4520   0.7917   0.5495   2.7336   0.7947  172.701   54.971  320.819   48.182 -148.1185 73.09805 
1 1 1    9   11   46 o  362.683   42.598   3.8289   0.6979   4.1588   0.8485   3.1384   1.2274  396.483   41.625  328.884   74.335 67.59860 85.19592 
1 1 1    9   11   48 o  682.155   36.896   12.072   1.2300   11.018   1.4955   14.275   2.1628  642.206   45.293  722.105   58.256 -79.89893 73.79184 
1 1 1    9   11   50 o  185.361   39.387   0.9054   0.4484   1.4934   0.6321   0.3096   0.6362  229.334   54.424  141.389   56.951 87.94490 78.77427 
1 1 1    9   11   52 o  325.269   42.810   2.9547   0.6399   2.8458   0.7604   3.2193   1.1846  323.786   45.676  326.752   72.420 -2.965820 85.62051 
1 1 1    9   11   54 o  256.137   67.817   2.0063   0.9071   0.0000   0.0000   2.0063   0.9071  ?   ?   256.137   67.817      ?      ? 
1 1 1    9   11   56 o  134.649   36.259   0.3541   0.3707   0.6783   0.5131   0.0000   0.5362  156.401   53.278  112.898   49.197 43.50302 72.51868 
1 1 1    9   12    1 f  2103.71   25.985  114.192   2.8051  113.713   4.0901  114.619   3.8545  2099.30   37.896  2108.11   35.564 -8.813232 51.96966 
1 1 1    9   12    3 f  1722.32   27.987   76.468   2.4570   75.741   3.2610   77.421   3.7369  1713.33   37.020  1731.31   41.983 -17.98096 55.97361 
1 1 1    9   12    5 o  588.196   29.718   8.9381   0.8985   8.8681   1.2545   9.0118   1.2874  585.859   41.648  590.533   42.404 -4.674072 59.43657 
1 1 1    9   12    7 o  1300.03   29.184   43.633   1.9493   41.801   2.7040   45.616   2.8128  1271.63   41.359  1328.42   41.185 -56.79553 58.36749 
1 1 1    9   12    9 o  923.356   35.682   21.872   1.6102   22.911   2.7705   21.342   1.9788  938.487   57.420  908.226   42.377 30.26117 71.36427 
1 1 1    9   12   11 o  552.186   28.531   7.8696   0.8092   7.4890   1.1157   8.2919   1.1753  538.130   40.326  566.241   40.372 -28.11121 57.06209 
1 1 1    9   12   13 o  383.582   28.418   3.7934   0.5577   3.3006   0.7688   4.3407   0.8103  357.268   41.857  409.897   38.449 -52.62888 56.83618 
1 1 1    9   12   15 o  265.566   41.934   1.9006   0.5585   1.7340   0.7814   2.0747   0.7986  253.398   60.763  277.733   57.806 -24.33461 83.86703 
1 1 1    9   12   17 o  803.925   27.758   16.669   1.1471   16.598   1.6066   16.743   1.6385  802.193   38.954  805.657   39.557 -3.464722 55.51696 
1 1 1    9   12   19 o  117.957   27.267   0.3398   0.1965   0.4541   0.2652   0.2004   0.2927  131.198   37.459  104.716   39.634 26.48150 54.53467 
1 1 1    9   12   21 o  947.760   33.982   23.179   1.5672   23.222   2.6932   23.157   1.9271  947.770   55.271  947.751   39.550 0.1861572E-01 67.96436 
1 1 1    9   12   23 o  1373.19   27.939   48.624   1.9719   47.202   2.7838   50.055   2.7937  1352.99   40.020  1393.39   38.997 -40.39929 55.87858 
1 1 1    9   12   25 o  1528.16   33.648   59.283   2.5150   57.084   3.0842   63.648   4.3450  1487.61   40.326  1568.70   53.874 -81.09363 67.29539 
1 1 1    9   12   27 o  747.349   34.250   14.307   1.2510   14.023   1.5385   14.860   2.1489  737.133   40.596  757.565   55.174 -20.43213 68.49935 
1 1 1    9   12   29 o  1597.64   56.868   66.196   4.6710   66.196   4.6710   0.0000   0.0000  1597.64   56.868  ?   ?       ?      ? 
1 1 1    9   12   31 o  463.395   41.899   5.5924   0.9935   4.9340   1.3949   6.2702   1.4154  435.390   62.317  491.399   56.023 -56.00903 83.79777 
1 1 1    9   12   33 o  509.309   34.801   6.5183   0.8677   6.0627   1.0588   7.4500   1.5142  483.756   42.572  534.861   55.064 -51.10522 69.60188 
1 1 1    9   12   35 o  765.082   34.958   15.061   1.3077   14.643   1.6068   15.880   2.2505  751.077   41.611  779.087   56.185 -28.01025 69.91599 
1 1 1    9   12   37 o  198.915   35.779   0.9463   0.3329   0.7881   0.3857   1.4080   0.6589  170.725   43.745  227.104   56.630 -56.37964 71.55859 
1 1 1    9   12   39 o  748.532   33.936   14.667   1.1264   14.639   1.2991   14.749   2.2612  750.906   33.651  746.158   58.943 4.748596 67.87241 
1 1 1    9   12   41 o  218.324   39.242   1.2820   0.4243   1.2820   0.4243   0.0000   0.0000  218.324   39.242  ?   ?       ?      ? 
1 1 1    9   12   43 o  445.217   33.243   4.8189   0.6727   4.3826   0.7718   6.1972   1.3718  409.234   36.685  481.200   55.450 -71.96603 66.48657 
1 1 1    9   12   45 o  641.222   35.788   10.436   1.1258   9.2361   1.3695   12.936   1.9774  589.891   45.156  692.553   55.535 -102.6624 71.57626 
1 1 1    9   12   47 o  842.822   34.666   18.920   1.3069   18.774   1.5138   19.348   2.5900  845.269   34.833  840.375   59.946 4.893799 69.33145 
1 1 1    9   12   49 o  699.916   35.074   12.855   1.0887   12.478   1.2495   14.040   2.2184  687.758   35.336  712.073   60.597 -24.31592 70.14745 
1 1 1    9   12   51 o  493.432   43.764   6.5589   1.1102   6.5589   1.1102   0.0000   0.0000  493.432   43.764  ?   ?       ?      ? 
1 1 1    9   12   53 o  452.022   47.798   6.5292   0.9377   7.4773   1.1468   4.6167   1.6289  525.206   42.472  378.838   85.642 146.3676 95.59512 
1 1 1    9   12   55 o  444.072   47.305   5.8967   1.0794   5.6507   1.5006   6.1604   1.5538  434.182   67.224  453.962   66.573 -19.77933 94.60969 
1 1 1    9   12   57 o  209.356   38.956   1.2768   0.5344   2.4249   0.7365   0.0000   0.7766  287.133   51.794  131.579   58.203 155.5540 77.91123 
1 1 1    9   13    0 o  1966.14   37.962  100.396   3.7611   98.021   5.8693  102.050   4.8991  1945.01   58.816  1987.27   48.013 -0.000000 0.000000 
1 1 1    9   13    2 o  633.864   26.208   10.341   0.8527   10.911   1.2509   9.8470   1.1653  650.090   37.427  617.638   36.697 32.45184 52.41616 
1 1 1    9   13    4 o  955.525   30.354   23.611   1.4906   23.578   2.1359   23.643   2.0813  954.791   43.512  956.259   42.335 -1.467590 60.70807 
1 1 1    9   13    6 o  507.345   29.782   6.6684   0.7755   6.9519   1.0826   6.3695   1.1115  518.551   40.608  496.138   43.576 22.41238 59.56453 
1 1 1    9   13    8 o  116.070   31.267   0.2297   0.2603   0.1396   0.3563   0.3329   0.3813  106.648   42.738  125.491   45.649 -18.84270 62.53304 
1 1 1    9   13   10 o  408.300   29.015   4.3194   0.6077   4.4423   0.8388   4.1837   0.8815  414.522   39.360  402.079   42.641 12.44354 58.03019 
1 1 1    9   13   12 o  751.684   34.148   14.574   1.2699   14.876   2.1142   14.403   1.5883  756.976   54.326  746.393   41.389 10.58258 68.29562 
1 1 1    9   13   14 o  834.720   39.062   18.070   1.6758   18.441   2.3595   17.691   2.3806  843.489   54.408  825.951   56.062 17.53784 78.12301 
1 1 1    9   13   16 o  518.384   28.410   6.9788   0.7519   7.7221   1.0465   6.1858   1.0810  547.236   37.197  489.532   42.951 57.70370 56.81902 
1 1 1    9   13   18 f  2969.24   27.810  227.392   4.2437  230.437   5.9440  224.227   6.0607  2989.67   38.671  2948.81   39.977 40.85449 55.62017 
1 1 1    9   13   20 o  1197.80   39.365   37.087   2.4240   36.382   3.4048   37.811   3.4517  1186.24   55.828  1209.36   55.514 -23.12085 78.73072 
1 1 1    9   13   22 o  1625.65   27.918   68.156   2.3326   69.821   3.2900   66.473   3.3077  1645.69   38.884  1605.61   40.070 40.08215 55.83524 
1 1 1    9   13   24 o  1965.20   28.037   99.600   2.8326   98.377   3.9961  100.835   4.0159  1953.05   39.797  1977.35   39.503 -24.30042 56.07400 
1 1 1    9   13   26 o  696.957   28.439   12.534   1.0190   12.600   1.4368   12.467   1.4454  698.816   39.991  695.098   40.446 3.718201 56.87875 
1 1 1    9   13   28 o  1483.19   56.757   57.027   4.3280   57.027   4.3280   0.0000   0.0000  1483.19   56.757  ?   ?       ?      ? 
1 1 1    9   13   30 o  2060.90   35.430  112.732   3.5074  118.191   4.3181  102.147   6.0128  2139.11   39.264  1982.69   58.986 156.4160 70.85937 
1 1 1    9   13   32 o  693.121   40.754   12.518   1.4507   13.245   2.0595   11.802   2.0437  713.339   56.157  672.904   59.075 40.43475 81.50721 
1 1 1    9   13   34 o  331.294   36.358   2.7154   0.5872   2.4369   0.7098   3.3194   1.0452  306.266   45.080  356.322   57.055 -50.05597 72.71516 
1 1 1    9   13   36 o  662.757   35.449   11.367   1.1470   11.128   1.4095   11.835   1.9738  654.178   41.908  671.335   57.187 -17.15723 70.89883 
1 1 1    9   13   38 o  267.314   38.780   2.1516   0.4472   2.3732   0.5137   1.4582   0.9086  302.490   33.029  232.138   70.176 70.35172 77.56019 
1 1 1    9   13   40 o  1255.50   41.426   41.230   2.6740   41.230   2.6740   0.0000   0.0000  1255.50   41.426  ?   ?       ?      ? 
1 1 1    9   13   42 o  120.674   32.914   0.2752   0.2764   0.3686   0.3198   0.0000   0.5491  123.136   42.063  118.212   50.635 4.924019 65.82700 
1 1 1    9   13   44 o  288.033   41.397   2.6051   0.5102   2.9025   0.5854   1.6657   1.0404  333.094   34.184  242.972   75.408 90.12192 82.79420 
1 1 1    9   13   46 o  174.149   33.396   0.9375   0.3420   1.2329   0.3922   0.0000   0.6986  216.657   35.206  131.641   56.759 85.01628 66.79153 
1 1 1    9   13   48 o  263.276   36.031   1.6318   0.4252   1.2824   0.4892   2.7114   0.8600  215.201   45.632  311.351   55.772 -96.15034 72.06145 
1 1 1    9   13   50 o  472.689   44.624   6.0119   1.0845   6.0119   1.0845   0.0000   0.0000  472.689   44.624  ?   ?       ?      ? 
1 1 1    9   13   52 o  1032.59   37.141   30.383   1.6777   31.326   1.9476   27.671   3.3030  1085.41   34.901  979.771   65.571 105.6421 74.28115 
1 1 1    9   13   54 o  119.644   33.141   0.2590   0.2741   0.2271   0.3249   0.3379   0.5109  107.728   41.513  131.560   51.672 -23.83144 66.28233 
1 1 1    9   13   56 o  240.128   36.120   1.3183   0.4508   0.5359   0.5383   3.1537   0.8245  145.758   54.036  334.499   47.944 -188.7417 72.23918 
1 1 1    9   14    1 o  582.911   28.990   8.7181   0.8646   8.1372   1.1552   9.4578   1.3036  561.082   40.045  604.741   41.928 -43.65912 57.97930 
1 1 1    9   14    3 o  709.358   28.557   12.996   1.0369   12.864   1.3992   13.155   1.5444  705.566   38.572  713.150   42.121 -7.584412 57.11403 
1 1 1    9   14    5 o  823.508   30.220   17.545   1.2793   17.842   1.8262   17.259   1.7927  830.343   42.777  816.673   42.697 13.66956 60.43923 
1 1 1    9   14    7 o  828.616   40.936   18.300   1.5236   18.790   1.7813   16.967   2.9409  852.337   40.650  804.895   71.068 47.44177 81.87218 
1 1 1    9   14    9 o  1372.28   28.967   48.659   2.0418   47.774   2.8173   49.638   2.9633  1359.28   40.314  1385.28   41.607 -26.00574 57.93400 
1 1 1    9   14   11 o  1220.19   34.678   39.102   2.0861   36.624   3.4218   40.568   2.6317  1187.55   56.044  1252.84   40.858 -65.29456 69.35652 
1 1 1    9   14   13 f  573.642   33.893   8.5056   0.9427   8.4913   1.1549   8.5341   1.6320  573.521   39.168  573.763   55.323 -0.2420044 67.78500 
1 1 1    9   14   15 o  1811.96   28.133   84.891   2.6144   88.552   3.6264   80.927   3.7726  1853.01   38.065  1770.90   41.436 82.10474 56.26648 
1 1 1    9   14   17 o  1339.79   27.958   46.262   1.9251   45.480   2.6782   47.097   2.7689  1328.12   39.222  1351.45   39.851 -23.32788 55.91542 
1 1 1    9   14   19 o  934.948   35.273   22.955   1.5668   23.610   1.8996   21.560   2.7711  957.036   38.607  912.860   59.045 44.17523 70.54642 
1 1 1    9   14   21 o  1636.21   27.893   69.034   2.3460   69.859   3.3000   68.191   3.3357  1646.16   38.992  1626.27   39.895 19.88281 55.78539 
1 1 1    9   14   23 o  312.778   29.249   2.5237   0.4702   2.6130   0.6676   2.4358   0.6622  318.284   40.800  307.273   41.920 11.01114 58.49736 
1 1 1    9   14   25 o  938.733   28.172   22.737   1.3592   21.971   1.9176   23.509   1.9268  922.807   40.418  954.660   39.257 -31.85315 56.34492 
1 1 1    9   14   27 o  910.887   35.105   21.686   1.5485   20.783   2.6556   22.152   1.9061  895.373   57.688  926.400   40.020 -31.02686 70.21021 
1 1 1    9   14   29 o  915.016   28.525   21.645   1.3401   23.004   1.8987   20.296   1.8916  943.794   39.130  886.237   41.516 57.55731 57.05048 
1 1 1    9   14   31 o  1302.75   40.520   44.229   2.7063   40.348   3.8202   48.138   3.8344  1244.63   59.700  1360.88   54.803 -116.2546 81.04001 
1 1 1    9   14   33 o  1004.78   34.948   26.120   1.7066   25.828   2.0915   26.702   2.9525  998.326   40.748  1011.23   56.789 -12.90924 69.89522 
1 1 1    9   14   35 o  977.479   34.906   24.530   1.6649   23.691   2.0384   26.210   2.8855  954.923   41.520  1000.03   56.123 -45.11230 69.81191 
1 1 1    9   14   37 o  462.267   38.391   5.9042   0.8382   6.4754   1.0346   4.8132   1.4300  498.775   40.347  425.760   65.326 73.01559 76.78178 
1 1 1    9   14   39 o  577.427   59.675   8.8635   1.7716   8.8635   1.7716   0.0000   0.0000  577.427   59.675  ?   ?       ?      ? 
1 1 1    9   14   41 o  282.020   40.328   1.9712   0.5307   1.5912   0.6309   2.8902   0.9812  240.533   52.492  323.507   61.237 -82.97351 80.65599 
1 1 1    9   14   43 o  567.646   33.465   8.3243   0.8657   8.0707   1.0067   9.0441   1.6961  555.407   35.256  579.885   56.891 -24.47760 66.92950 
1 1 1    9   14   45 o  141.641   32.649   0.4987   0.3074   0.8063   0.3908   0.0000   0.4977  171.139   44.134  112.143   48.124 58.99643 65.29710 
1 1 1    9   14   47 o  472.738   32.380   5.2379   0.7018   4.4627   0.8037   7.7268   1.4402  411.032   38.034  534.443   52.415 -123.4111 64.76085 
1 1 1    9   14   49 o  327.433   43.959   3.2610   0.6531   3.6168   0.7875   2.4775   1.1686  368.117   41.612  286.749   77.447 81.36798 87.91817 
1 1 1    9   14   51 o  137.065   34.621   0.4685   0.3160   0.6337   0.3676   0.0000   0.6189  151.417   44.361  122.713   53.166 28.70451 69.24197 
1 1 1    9   14   53 o  249.516   39.757   2.1112   0.4814   2.5179   0.5628   1.0019   0.9295  306.796   35.682  192.235   71.058 114.5605 79.51402 
1 1 1    9   14   55 o  570.013   35.621   8.4838   0.9163   7.7723   1.0510   10.738   1.8706  534.878   38.219  605.148   60.123 -70.26990 71.24246 
1 1 1    9   15    0 o  1093.87   39.262   31.050   2.1418   31.708   3.4399   30.634   2.7371  1101.83   61.154  1085.91   49.256 -0.000000 0.000000 
1 1 1    9   15    2 f  1327.43   26.684   45.503   1.8175   46.026   2.6617   45.046   2.4877  1334.37   38.798  1320.48   36.644 13.88879 53.36708 
1 1 1    9   15    4 o  1084.16   31.031   30.423   1.7264   30.573   2.5229   30.291   2.3674  1086.45   45.168  1081.87   42.563 4.572632 62.06249 
1 1 1    9   15    6 o  592.381   38.688   8.5235   1.0801   7.7268   1.2677   10.634   2.0631  546.214   45.143  638.549   62.842 -92.33411 77.37540 
1 1 1    9   15    8 o  1883.15   42.262   91.730   4.0917   0.0000   0.0000   91.730   4.0917  ?   ?   1883.15   42.262      ?      ? 
1 1 1    9   15   10 o  586.284   38.795   8.9370   1.1639   7.8995   1.6368   9.9982   1.6554  551.502   57.727  621.065   51.842 -69.56299 77.58909 
1 1 1    9   15   12 o  171.610   32.839   0.7299   0.2888   0.5719   0.3576   1.0262   0.4897  147.836   43.874  195.384   48.874 -47.54834 65.67786 
1 1 1    9   15   14 o  184.221   29.415   0.8881   0.2857   0.5120   0.3938   1.3058   0.4151  143.379   46.628  225.062   35.873 -81.68326 58.83043 
1 1 1    9   15   16 o  1645.69   28.089   69.854   2.3740   70.248   3.2861   69.423   3.4333  1650.67   38.722  1640.70   40.701 9.968750 56.17810 
1 1 1    9   15   18 o  847.642   28.112   18.520   1.2246   18.400   1.7043   18.648   1.7607  844.836   39.238  850.448   40.269 -5.611511 56.22489 
1 1 1    9   15   20 o  967.586   33.524   23.471   1.5989   26.582   2.7439   21.872   1.9674  1014.25   52.620  920.922   41.554 93.32861 67.04874 
1 1 1    9   15   22 o  1294.67   28.004   43.215   1.8638   42.354   2.6158   44.103   2.6562  1281.56   39.700  1307.78   39.506 -26.22168 56.00749 
1 1 1    9   15   24 o  2954.87   28.035  225.221   4.2586  221.176   6.0018  229.323   6.0437  2928.10   39.868  2981.65   39.425 -53.55127 56.06992 
1 1 1    9   15   26 o  1744.95   34.611   78.980   2.9278   78.017   5.0509   79.467   3.5930  1735.17   56.618  1754.74   39.826 -19.57922 69.22241 
1 1 1    9   15   28 o  541.414   35.305   7.5662   0.9260   7.5179   1.1321   7.6637   1.6096  539.468   40.817  543.360   57.617 -3.892822 70.60948 
1 1 1    9   15   30 o  1563.37   34.683   62.985   2.6299   62.250   3.2152   64.470   4.5717  1551.77   40.300  1574.97   56.459 -23.19446 69.36655 
1 1 1    9   15   32 o  627.288   35.107   10.033   1.0741   9.6306   1.3127   10.849   1.8687  609.627   41.881  644.949   56.357 -35.32227 70.21495 
1 1 1    9   15   34 o  721.576   34.312   12.940   1.2159   11.599   1.4820   15.701   2.1264  668.083   43.148  775.068   53.362 -106.9853 68.62386 
1 1 1    9   15   36 o  531.043   35.118   7.0204   0.9154   6.2611   1.1146   8.5939   1.6044  490.045   44.238  572.041   54.553 -81.99536 70.23532 
1 1 1    9   15   38 o  596.911   41.979   9.4677   1.2857   8.9358   1.8371   9.9782   1.7999  579.734   61.637  614.088   57.009 -34.35437 83.95901 
1 1 1    9   15   40 o  1102.39   36.340   32.282   1.9364   32.541   2.3739   31.768   3.3472  1114.52   41.429  1090.27   59.715 24.24976 72.67925 
1 1 1    9   15   42 o  277.146   41.417   2.1754   0.5410   2.2993   0.6517   1.9007   0.9706  295.416   42.906  258.875   70.857 36.54034 82.83493 
1 1 1    9   15   44 o  559.161   33.522   7.7590   0.8570   7.1435   0.9888   9.6170   1.7180  521.495   36.879  596.827   55.988 -75.33252 67.04317 
1 1 1    9   15   46 o  529.963   32.703   6.5464   0.7882   5.5974   0.8986   9.7136   1.6415  460.595   37.945  599.330   53.273 -138.7346 65.40543 
1 1 1    9   15   48 o  227.160   38.358   1.5025   0.4088   1.5964   0.4728   1.2241   0.8141  245.617   37.442  208.703   66.959 36.91441 76.71616 
1 1 1    9   15   50 o  137.052   34.969   0.4530   0.2994   0.5036   0.3510   0.3179   0.5736  137.489   43.951  136.614   54.402 0.8748169 69.93747 
1 1 1    9   15   52 o  267.400   43.454   2.0512   0.5596   1.9228   0.6848   2.3092   0.9708  258.862   53.232  275.938   68.697 -17.07629 86.90756 
1 1 1    9   15   54 o  138.106   36.571   0.4524   0.3375   0.5010   0.4050   0.3421   0.6104  137.845   47.327  138.367   55.767 -0.5216370 73.14254 
1 1 1    9   15   56 o  399.847   36.053   3.9849   0.6539   3.3779   0.7449   6.0255   1.3657  349.312   41.476  450.382   58.982 -101.0694 72.10503 
1 1 1    9   16    1 o  1297.42   29.616   43.353   1.9619   41.959   2.6079   45.170   2.9780  1273.90   39.818  1320.94   43.851 -47.03699 59.23149 
1 1 1    9   16    3 o  369.011   29.407   3.4909   0.5547   3.0194   0.7490   4.0637   0.8255  341.600   42.647  396.421   40.502 -54.82147 58.81496 
1 1 1    9   16    5 o  1294.32   46.658   43.569   3.0792   42.561   4.0797   44.904   4.6939  1278.10   62.086  1310.54   69.665 -32.44092 93.31631 
1 1 1    9   16    7 o  884.411   42.468   20.226   1.9310   0.0000   0.0000   20.226   1.9310  ?   ?   884.411   42.468      ?      ? 
1 1 1    9   16    9 f  2612.07   38.599  176.962   5.1825  173.192   7.3379  180.714   7.3204  2584.04   55.234  2640.10   53.932 -56.06592 77.19714 
1 1 1    9   16   11 o  957.442   33.718   23.631   1.5810   23.478   1.9550   23.920   2.6875  953.794   39.868  961.091   54.389 -7.296814 67.43641 
1 1 1    9   16   13 o  1459.48   28.575   54.991   2.1403   55.719   2.9509   54.183   3.1089  1469.85   39.049  1449.10   41.729 20.74353 57.15037 
1 1 1    9   16   15 o  124.792   27.599   0.3571   0.2121   0.1244   0.2916   0.6184   0.3090   97.546   38.804  152.039   39.256 -54.49317 55.19775 
1 1 1    9   16   17 o  1354.75   28.108   47.221   1.9551   43.984   2.7027   50.775   2.8317  1306.10   40.249  1403.41   39.246 -97.31128 56.21587 
1 1 1    9   16   19 o  2448.14   40.286  154.619   5.0637  147.486   6.9454  162.712   7.3984  2388.12   56.568  2508.15   57.374 -120.0308 80.57102 
1 1 1    9   16   21 f  2080.45   28.128  111.634   3.0077  112.361   4.2082  110.875   4.3003  2087.47   39.211  2073.44   40.340 14.03516 56.25675 
1 1 1    9   16   23 o  1252.12   28.165   40.439   1.8130   40.156   2.5443   40.731   2.5841  1247.69   39.663  1256.55   39.999 -8.856079 56.33027 
1 1 1    9   16   25 f  1618.39   34.861   68.286   2.7280   66.079   4.7046   69.404   3.3485  1596.83   57.305  1639.95   39.714 -43.11353 69.72124 
1 1 1    9   16   27 o  1032.33   35.227   27.872   1.7504   28.422   2.1413   26.765   3.0389  1049.16   39.698  1015.50   58.205 33.65363 70.45345 
1 1 1    9   16   29 f  1417.72   28.517   51.962   2.0777   53.601   2.9346   50.314   2.9420  1440.27   39.632  1395.17   41.016 45.10803 57.03484 
1 1 1    9   16   31 o  562.253   38.028   8.7129   1.0031   6.9303   1.7216   9.6291   1.2343  514.522   65.081  609.985   39.357 -95.46265 76.05581 
1 1 1    9   16   33 o  682.121   29.081   12.072   1.0197   11.801   1.4333   12.350   1.4510  674.335   41.343  689.906   40.908 -15.57092 58.16126 
1 1 1    9   16   35 o  217.779   38.934   1.2584   0.4221   1.1714   0.5247   1.4180   0.7106  207.621   49.797  227.938   59.865 -20.31743 77.86872 
1 1 1    9   16   37 o  1368.16   35.611   48.832   2.3617   48.178   2.8863   50.156   4.1082  1359.14   41.306  1377.17   58.022 -18.03113 71.22296 
1 1 1    9   16   39 o  681.045   41.605   12.140   1.4568   12.140   1.4568   0.0000   0.0000  681.045   41.605  ?   ?       ?      ? 
1 1 1    9   16   41 o  471.306   42.625   5.9769   1.0326   6.0253   1.4501   5.9271   1.4709  473.488   59.569  469.123   60.984 4.364777 85.24936 
1 1 1    9   16   43 o  383.016   36.732   3.5756   0.6810   2.9509   0.8126   5.0501   1.2484  333.114   47.445  432.918   56.087 -99.80386 73.46312 
1 1 1    9   16   45 o  794.307   37.847   17.260   1.4462   17.725   1.7768   16.346   2.4891  817.582   42.271  771.033   62.791 46.54907 75.69388 
1 1 1    9   16   47 o  251.054   35.896   1.4723   0.3940   1.1993   0.4467   2.4274   0.8356  208.626   43.076  293.482   57.433 -84.85544 71.79224 
1 1 1    9   16   49 o  458.067   35.801   5.5564   0.8431   5.5564   0.8431   0.0000   0.0000  458.067   35.801  ?   ?       ?      ? 
1 1 1    9   16   51 o  745.250   37.761   15.892   1.2268   16.410   1.4229   14.389   2.4216  785.362   35.239  705.137   66.797 80.22516 75.52224 
1 1 1    9   16   53 o  297.542   42.668   3.0405   0.5617   3.5230   0.6547   1.6955   1.0932  362.678   35.114  232.406   77.777 130.2720 85.33591 
1 1 1    9   16   55 o  270.319   41.203   2.3733   0.4969   2.5771   0.5732   1.7569   0.9968  308.353   36.158  232.286   74.051 76.06650 82.40685 
1 1 1    9   17    0 o  1399.53   46.907   51.137   3.3448   50.109   4.9216   52.020   4.5596  1385.41   69.496  1413.66   63.020 0.000000 0.000000 
1 1 1    9   17    2 o  272.536   42.725   1.7710   0.5568   1.2994   0.6678   2.8469   1.0087  219.705   58.195  325.367   62.570 -105.6618 85.44978 
1 1 1    9   17    4 o  1512.85   69.343   59.741   5.3935   59.741   5.3935   0.0000   0.0000  1512.85   69.343  ?   ?       ?      ? 
1 1 1    9   17    6 f  982.224   53.714   25.016   2.7125   0.0000   0.0000   25.016   2.7125  ?   ?   982.224   53.714      ?      ? 
1 1 1    9   17    8 o  973.078   34.727   24.834   1.6724   25.835   2.1221   23.194   2.7169  1000.22   41.267  945.936   55.865 54.28387 69.45409 
1 1 1    9   17   10 f  582.010   29.488   8.7480   0.8812   8.8449   1.2195   8.6420   1.2748  585.452   40.515  578.568   42.858 6.883728 58.97668 
1 1 1    9   17   12 o  1874.58   28.930   90.802   2.7816   93.346   3.8380   87.988   4.0373  1902.55   39.237  1846.62   42.524 55.92004 57.86080 
1 1 1    9   17   14 f  626.244   28.967   10.178   0.9267   11.016   1.2787   9.2504   1.3450  653.710   38.045  598.778   43.692 54.93201 57.93435 
1 1 1    9   17   16 o  959.280   28.397   23.684   1.3991   22.808   1.9260   24.663   2.0358  940.550   39.829  978.009   40.488 -37.45874 56.79432 
1 1 1    9   17   18 f  1918.50   35.388   93.888   3.2086   92.134   3.8273   98.037   5.8857  1890.42   39.379  1946.57   58.811 -56.14868 70.77692 
1 1 1    9   17   20 o  984.809   28.633   25.168   1.4400   27.934   2.0099   22.252   2.0640  1040.96   37.555  928.654   43.231 112.3110 57.26554 
1 1 1    9   17   22 o  1997.17   28.208  102.916   2.8953  103.985   4.0518  101.800   4.1386  2007.88   39.250  1986.45   40.524 21.42944 56.41559 
1 1 1    9   17   24 o  1092.03   34.896   31.050   1.8491   30.183   3.1706   31.497   2.2764  1079.29   57.138  1104.76   40.078 -25.46753 69.79279 
1 1 1    9   17   26 o  2032.66   33.838  103.772   3.3592   97.477   4.0941  116.739   5.8764  1942.79   40.989  2122.53   53.850 -179.7418 67.67502 
1 1 1    9   17   28 o  544.589   29.451   7.7207   0.8104   6.0115   1.1318   9.5193   1.1610  481.983   45.674  607.195   37.192 -125.2123 58.90105 
1 1 1    9   17   30 o  581.119   43.408   8.9951   1.2496   11.833   1.7789   6.2309   1.7556  674.821   51.275  487.417   70.056 187.4039 86.81594 
1 1 1    9   17   32 o  441.838   29.172   5.0627   0.6625   4.8933   0.9300   5.2371   0.9440  434.301   41.650  449.374   40.858 -15.07275 58.34428 
1 1 1    9   17   34 f  1055.02   29.098   28.933   1.5783   28.839   2.2358   29.026   2.2283  1053.27   41.288  1056.76   41.014 -3.483276 58.19654 
1 1 1    9   17   36 o  324.392   40.609   2.9555   0.6127   3.2188   0.7561   2.4524   1.0454  351.363   41.858  297.422   69.602 53.94113 81.21860 
1 1 1    9   17   38 o  2053.75   58.500  112.135   6.1770  112.135   6.1770   0.0000   0.0000  2053.75   58.500  ?   ?       ?      ? 
1 1 1    9   17   40 o  509.490   43.107   6.9775   1.1238   7.8581   1.6104   6.1416   1.5690  541.956   57.795  477.023   63.975 64.93390 86.21493 
1 1 1    9   17   42 o  658.261   38.261   11.866   1.2047   12.372   1.4788   10.868   2.0772  684.950   41.995  631.573   63.970 53.37750 76.52280 
1 1 1    9   17   44 o  738.532   36.079   14.009   1.3079   12.641   1.5956   16.811   2.2837  689.432   45.015  787.632   56.395 -98.19983 72.15755 
1 1 1    9   17   46 o  305.749   43.517   2.8239   0.6137   3.1456   0.7389   2.1085   1.1018  344.076   41.769  267.423   76.357 76.65277 87.03421 
1 1 1    9   17   48 o  734.387   43.305   14.444   1.6350   14.444   1.6350   0.0000   0.0000  734.387   43.305  ?   ?       ?      ? 
1 1 1    9   17   50 o  140.788   36.381   0.4244   0.3272   0.3150   0.3990   0.6491   0.5718  122.483   46.294  159.093   56.136 -36.61034 72.76257 
1 1 1    9   17   52 f  176.555   35.475   0.9925   0.3377   1.1710   0.3809   0.3365   0.7302  206.094   37.322  147.015   60.341 59.07965 70.95037 
1 1 1    9   17   54 o  125.010   34.247   0.3191   0.2930   0.3069   0.3484   0.3487   0.5420  116.412   43.407  133.609   52.983 -17.19760 68.49301 
1 1 1    9   18    1 o  2293.54   43.424  138.678   4.7839  142.449   5.8549  131.103   8.2980  2345.86   48.545  2241.22   72.014 104.6465 86.84849 
1 1 1    9   18    3 o  767.381   48.832   15.348   1.9261   15.536   2.7049   15.154   2.7432  772.303   68.123  762.459   69.981 9.844543 97.66319 
1 1 1    9   18    5 o  1380.48   35.567   49.479   2.4924   50.380   3.2914   48.269   3.8161  1396.03   45.859  1364.94   54.379 31.09717 71.13441 
1 1 1    9   18    7 o  594.088   31.025   9.1418   0.9448   8.5826   1.3601   9.6633   1.3134  576.349   45.899  611.826   41.755 -35.47748 62.04994 
1 1 1    9   18    9 o  1182.09   29.897   36.075   1.8162   36.802   2.5510   35.329   2.5865  1194.25   41.548  1169.94   43.000 24.30371 59.79322 
1 1 1    9   18   11 o  1501.89   29.225   58.152   2.2545   57.465   3.1129   58.909   3.2696  1492.67   40.564  1511.12   42.084 -18.44653 58.45097 
1 1 1    9   18   13 o  997.133   29.047   25.740   1.4826   27.068   2.0395   24.252   2.1592  1024.69   38.713  969.573   43.316 55.11938 58.09414 
1 1 1    9   18   15 o  1701.86   28.519   74.612   2.4917   73.520   3.4218   75.846   3.6355  1688.73   39.412  1715.01   41.231 -26.27942 57.03775 
1 1 1    9   18   17 o  1594.43   36.503   65.408   2.7069   65.044   3.2020   66.317   5.0673  1588.39   39.210  1600.47   61.583 -12.07727 73.00585 
1 1 1    9   18   19 o  1143.13   35.067   34.264   1.9571   32.084   3.2801   35.470   2.4388  1113.53   57.295  1172.74   40.449 -59.21033 70.13445 
1 1 1    9   18   21 f  1010.33   28.358   26.310   1.4723   25.631   2.0432   27.043   2.1233  996.809   39.869  1023.86   40.337 -27.04791 56.71512 
1 1 1    9   18   23 o  1460.81   35.145   56.093   2.4898   52.365   4.2268   58.073   3.0811  1421.50   57.835  1500.13   39.948 -78.63135 70.29070 
1 1 1    9   18   25 o  1378.67   34.382   48.746   2.3001   47.898   2.8090   50.470   4.0066  1362.05   40.114  1395.29   55.852 -33.23901 68.76457 
1 1 1    9   18   27 o  667.372   28.853   11.499   0.9889   10.755   1.3779   12.289   1.4200  645.067   41.547  689.677   40.047 -44.60986 57.70560 
1 1 1    9   18   29 o  403.825   34.993   3.8039   0.6827   3.0488   0.8129   5.6124   1.2580  342.941   46.103  464.708   52.655 -121.7671 69.98602 
1 1 1    9   18   31 o  757.459   28.996   14.878   1.1285   15.531   1.6010   14.233   1.5910  774.109   40.227  740.809   41.772 33.29950 57.99290 
1 1 1    9   18   33 o  1116.85   28.984   32.427   1.6589   29.158   2.3242   35.823   2.3685  1058.92   42.691  1174.78   39.215 -115.8608 57.96859 
1 1 1    9   18   35 o  307.619   32.596   2.5214   0.4954   3.0483   0.7079   2.0157   0.6935  342.210   40.238  273.028   51.291 69.18231 65.19107 
1 1 1    9   18   37 o  204.715   40.672   1.1300   0.4831   1.6955   0.6638   0.4929   0.7045  248.932   53.463  160.498   61.308 88.43401 81.34476 
1 1 1    9   18   39 o  382.905   36.572   3.5623   0.6849   2.8859   0.8269   5.0396   1.2221  330.534   48.660  435.277   54.611 -104.7430 73.14496 
1 1 1    9   18   41 o  305.576   43.469   2.7181   0.6091   2.9346   0.7275   2.2104   1.1139  333.695   42.406  277.456   75.895 56.23856 86.93868 
1 1 1    9   18   43 o  353.030   38.078   2.9226   0.6280   1.9890   0.7470   5.1743   1.1600  266.831   56.223  439.229   51.369 -172.3979 76.15633 
1 1 1    9   18   45 o  376.775   40.465   3.9229   0.7048   3.9371   0.8533   3.8925   1.2506  384.744   43.138  368.805   68.474 15.93951 80.92958 
1 1 1    9   18   47 o  289.754   48.067   2.4545   0.7065   2.1161   0.9958   2.7976   1.0025  267.921   71.109  311.589   64.694 -43.66815 96.13409 
1 1 1    9   18   49 o  229.034   39.203   1.6965   0.5229   2.3970   0.6425   0.3225   0.8999  298.831   41.821  159.236   66.320 139.5952 78.40514 
1 1 1    9   18   51 o  518.958   39.564   7.8378   0.8722   8.0991   1.0020   7.0202   1.7720  550.966   35.372  486.951   70.781 64.01495 79.12780 
1 1 1    9   18   53 o  145.501   37.231   0.5452   0.3530   0.6362   0.4263   0.3463   0.6298  151.160   48.448  139.841   56.545 11.31850 74.46104 
1 1 1    9   18   55 o  566.413   36.950   8.7531   1.0760   8.7531   1.0760   0.0000   0.0000  566.413   36.950  ?   ?       ?      ? 
1 1 1    9   19    0 o  1910.45   70.463   94.779   6.8996   0.0000   0.0000   94.779   6.8996  1910.45   70.463  1910.45   70.463 -0.000000 0.000000 
1 1 1    9   19    2 f  1859.87   38.815   88.064   3.1448   92.447   6.5633   86.758   3.5828  1885.86   67.693  1833.88   38.000 51.98218 77.62913 
1 1 1    9   19    4 o  1887.44   40.891   94.124   3.5880   87.929   6.5764   96.750   4.2813  1839.07   69.554  1935.82   43.018 -96.75317 81.78201 
1 1 1    9   19    6 o  2753.62   31.263  195.617   4.4176  197.987   6.4649  193.541   6.0505  2768.93   45.413  2738.31   42.977 30.61890 62.52500 
1 1 1    9   19    8 o  1186.49   30.451   36.347   1.8564   35.396   2.6471   37.267   2.6042  1171.12   43.965  1201.86   42.145 -30.74353 60.90238 
1 1 1    9   19   10 o  448.327   30.157   5.1831   0.6943   4.8566   0.9711   5.5245   0.9932  433.857   43.536  462.797   41.742 -28.94083 60.31375 
1 1 1    9   19   12 o  2033.39   29.250  106.545   3.0548  104.886   4.2132  108.383   4.4357  2016.83   40.632  2049.95   42.087 -33.10986 58.50014 
1 1 1    9   19   14 o  539.975   29.307   7.5015   0.8125   7.1913   1.1139   7.8541   1.1878  528.092   41.026  551.857   41.863 -23.76477 58.61412 
1 1 1    9   19   16 o  684.045   40.683   12.934   1.2280   13.876   1.4419   10.447   2.3428  733.680   38.227  634.410   71.828 99.27002 81.36620 
1 1 1    9   19   18 o  1260.88   34.744   41.185   2.1559   40.653   3.6034   41.482   2.6905  1253.61   55.908  1268.15   41.266 -14.53076 69.48863 
1 1 1    9   19   20 o  1266.43   28.416   41.309   1.8487   39.745   2.5522   43.035   2.6814  1241.27   39.992  1291.58   40.380 -50.31030 56.83234 
1 1 1    9   19   22 o  1195.83   34.706   37.016   2.0332   36.838   3.4389   37.111   2.5210  1192.55   56.088  1199.10   40.893 -6.549561 69.41212 
1 1 1    9   19   24 o  1613.65   34.610   67.352   2.7007   67.322   3.3008   67.411   4.6974  1614.87   39.757  1612.43   56.664 2.447998 69.22022 
1 1 1    9   19   26 o  970.243   28.715   24.373   1.4294   25.688   1.9984   22.996   2.0454  997.279   38.976  943.207   42.179 54.07220 57.43005 
1 1 1    9   19   28 o  1340.49   28.570   46.501   1.9681   47.824   2.7728   45.159   2.7939  1359.85   39.660  1321.12   41.134 38.73083 57.13916 
1 1 1    9   19   30 o  1131.84   34.999   33.040   1.9339   34.254   3.3263   32.421   2.3769  1145.36   56.487  1118.32   41.340 27.03748 69.99832 
1 1 1    9   19   32 o  1168.53   28.886   35.462   1.7353   35.886   2.4510   35.036   2.4571  1175.62   40.551  1161.43   41.149 14.19116 57.77252 
1 1 1    9   19   34 o  466.070   30.052   5.6588   0.7200   5.5293   1.0127   5.7912   1.0239  460.639   42.759  471.500   42.239 -10.86084 60.10375 
1 1 1    9   19   36 o  169.834   40.382   0.7211   0.4160   0.7163   0.5680   0.7266   0.6111  168.469   56.055  171.200   58.144 -2.730453 80.76485 
1 1 1    9   19   38 o  622.472   29.875   10.154   0.9543   9.3293   1.3322   11.023   1.3676  596.174   43.462  648.769   41.002 -52.59521 59.75045 
1 1 1    9   19   40 o  635.654   44.607   11.050   1.4362   12.966   2.0149   9.0716   2.0476  695.498   56.350  575.811   69.166 119.6874 89.21415 
1 1 1    9   19   42 o  357.350   43.423   3.7802   0.7048   4.2507   0.8660   2.8574   1.2129  401.067   42.000  313.633   76.014 87.43466 86.84587 
1 1 1    9   19   44 o  408.864   37.107   4.4375   0.7412   4.2780   0.9096   4.7526   1.2786  400.950   44.125  416.778   59.672 -15.82785 74.21374 
1 1 1    9   19   46 o  411.885   42.465   4.9805   0.7932   5.4856   0.9780   4.0100   1.3557  453.844   41.915  369.926   73.867 83.91791 84.93060 
1 1 1    9   19   48 o  563.784   43.314   8.5397   1.2555   8.5397   1.2555   0.0000   0.0000  563.784   43.314  ?   ?       ?      ? 
1 1 1    9   19   50 o  213.106   45.616   1.3282   0.5541   0.9950   0.7829   1.6624   0.7842  189.485   65.764  236.727   63.233 -47.24190 91.23198 
1 1 1    9   19   52 o  207.911   36.090   1.4940   0.4027   1.8501   0.4609   0.3444   0.8282  263.045   34.082  152.776   63.626 110.2694 72.17920 
1 1 1    9   19   54 o  206.931   41.341   1.2151   0.3949   1.1633   0.4407   1.4261   0.8895  201.417   43.805  212.445   70.123 -11.02847 82.68102 
1 1 1    9   20    1 o  516.739   32.034   7.1118   0.8225   8.0794   1.0845   5.8017   1.2619  559.769   37.684  473.709   51.813 86.06003 64.06786 
1 1 1    9   20    3 o  1390.00   27.538   49.994   1.9601   47.430   2.8558   52.278   2.6952  1355.95   40.965  1424.04   36.812 -68.09326 55.07527 
1 1 1    9   20    5 o  364.598   29.633   3.4157   0.5535   3.2776   0.7463   3.5846   0.8251  356.472   40.723  372.724   43.059 -16.25208 59.26606 
1 1 1    9   20    7 o  381.356   32.085   3.7871   0.6234   3.3516   0.9064   4.1781   0.8588  360.240   48.940  402.472   41.505 -42.23196 64.17007 
1 1 1    9   20    9 o  1496.57   30.369   57.789   2.3361   56.711   3.3171   58.851   3.2906  1482.65   43.516  1510.50   42.373 -27.85242 60.73794 
1 1 1    9   20   11 o  2970.90   29.690  227.652   4.5331  228.350   6.3292  226.918   6.4956  2975.71   41.370  2966.09   42.596 9.623047 59.37934 
1 1 1    9   20   13 o  1744.22   29.223   78.334   2.6183   75.574   3.6123   81.389   3.8006  1711.94   41.042  1776.50   41.612 -64.56201 58.44624 
1 1 1    9   20   15 o  636.647   29.327   10.464   0.9576   10.609   1.3144   10.299   1.3980  641.445   39.855  631.849   43.034 9.595459 58.65454 
1 1 1    9   20   17 o  1324.71   42.842   45.817   2.8806   48.150   3.8419   42.820   4.3533  1364.45   54.768  1284.97   65.896 79.48254 85.68404 
1 1 1    9   20   19 o  1467.36   28.749   55.708   2.1619   58.141   2.9835   53.019   3.1369  1501.44   38.650  1433.29   42.569 68.15649 57.49763 
1 1 1    9   20   21 o  633.667   34.257   10.068   1.0800   11.603   1.8162   9.2281   1.3433  669.568   52.761  597.766   43.710 71.80298 68.51462 
1 1 1    9   20   23 o  1259.54   34.679   41.103   2.1070   41.215   2.5710   40.874   3.6767  1263.56   39.576  1255.52   56.959 8.038940 69.35828 
1 1 1    9   20   25 o  717.269   28.763   13.288   1.0604   13.095   1.4780   13.493   1.5222  711.921   40.379  722.618   40.973 -10.69739 57.52598 
1 1 1    9   20   27 o  621.245   29.125   9.9895   0.9295   10.129   1.2950   9.8414   1.3350  625.803   40.251  616.687   42.106 9.115662 58.24967 
1 1 1    9   20   29 o  983.552   41.340   25.367   2.0811   27.822   2.9243   22.847   2.9623  1032.85   55.069  934.258   61.672 98.58942 82.68087 
1 1 1    9   20   31 o  418.391   29.930   4.5369   0.6419   4.0750   0.8863   5.0466   0.9311  395.916   43.540  440.867   41.077 -44.95065 59.85901 
1 1 1    9   20   33 o  467.106   30.083   5.6947   0.7172   4.8585   1.0031   6.5692   1.0258  431.556   45.212  502.655   39.695 -71.09921 60.16524 
1 1 1    9   20   35 o  407.723   41.797   4.8031   0.7695   3.5226   1.2934   5.5047   0.9574  356.021   73.110  459.424   40.531 -103.4037 83.59367 
1 1 1    9   20   37 o  720.816   30.091   13.695   1.1054   15.705   1.5606   11.671   1.5658  775.256   39.154  666.375   45.704 108.8809 60.18240 
1 1 1    9   20   39 o  908.205   43.015   22.327   1.9889   25.835   2.8192   18.852   2.8064  982.884   55.789  833.527   65.488 149.3566 86.02985 
1 1 1    9   20   41 f  590.747   30.372   9.2306   0.9218   9.5177   1.2953   8.9361   1.3121  600.430   41.960  581.064   43.922 19.36609 60.74410 
1 1 1    9   20   43 f  382.550   37.756   3.6438   0.7067   3.0082   0.8537   5.0280   1.2597  334.929   49.575  430.170   56.960 -95.24072 75.51247 
1 1 1    9   20   45 o  782.051   35.699   15.552   1.3726   13.436   1.6709   19.942   2.4069  708.345   45.880  855.758   54.707 -147.4126 71.39892 
1 1 1    9   20   47 o  380.815   46.282   3.9117   0.9061   3.9117   0.9061   0.0000   0.0000  380.815   46.282  ?   ?       ?      ? 
1 1 1    9   20   49 o  361.187   52.851   3.9582   0.9480   3.9555   1.3074   3.9612   1.3767  362.543   72.675  359.832   76.756 2.711029 105.7028 
1 1 1    9   20   51 o  198.847   40.048   1.2282   0.4457   1.4972   0.5448   0.6840   0.7748  229.316   47.759  168.378   64.300 60.93774 80.09608 
1 1 1    9   20   53 o  218.332   42.566   1.5298   0.4952   1.7412   0.5972   1.0646   0.8859  245.391   49.051  191.272   69.580 54.11871 85.13121 
1 1 1    9   21    0 o  1325.26   48.317   45.630   3.2634   44.656   4.4363   46.779   4.8176  1310.24   66.243  1340.27   70.358 -0.000000 0.000000 
1 1 1    9   21    2 o  341.321   28.662   3.0037   0.5022   3.2264   0.7179   2.7903   0.7029  353.736   39.476  328.905   41.566 24.83096 57.32475 
1 1 1    9   21    4 o  1766.51   27.306   80.440   2.4752   80.580   3.6160   80.316   3.3953  1767.80   39.786  1765.21   37.412 2.586304 54.61243 
1 1 1    9   21    6 o  1389.55   31.966   49.920   2.2742   48.708   3.3491   50.956   3.0980  1373.61   47.424  1405.49   42.873 -31.88037 63.93113 
1 1 1    9   21    8 o  1628.98   31.113   68.435   2.6031   68.984   3.7748   67.937   3.5944  1635.09   44.904  1622.87   43.079 12.21863 62.22688 
1 1 1    9   21   10 o  1116.27   30.424   32.145   1.7458   31.648   2.4735   32.638   2.4644  1107.64   43.435  1124.90   42.612 -17.25562 60.84705 
1 1 1    9   21   12 o  1317.17   29.801   44.764   2.0169   45.297   2.8139   44.200   2.8923  1325.33   41.297  1309.01   42.976 16.31897 59.60178 
1 1 1    9   21   14 o  981.559   29.456   24.872   1.4839   25.267   2.0493   24.437   2.1516  989.866   40.268  973.253   43.000 16.61279 58.91156 
1 1 1    9   21   16 o  1266.72   43.852   41.787   2.8177   42.975   3.7254   40.198   4.3073  1288.76   56.225  1244.67   67.310 44.08826 87.70302 
1 1 1    9   21   18 o  1173.80   29.050   35.729   1.7438   37.992   2.3982   33.190   2.5401  1213.70   38.433  1133.89   43.573 79.81213 58.10076 
1 1 1    9   21   20 o  224.364   39.628   1.4128   0.4461   1.0697   0.7691   1.5867   0.5475  204.757   65.020  243.971   45.321 -39.21404 79.25634 
1 1 1    9   21   22 o  1706.67   34.335   74.825   2.8457   73.770   3.4809   76.952   4.9411  1690.37   40.053  1722.96   55.780 -32.59131 68.67048 
1 1 1    9   21   24 o  2433.43   34.785  152.348   4.1605  156.807   7.0437  149.959   5.1560  2458.02   55.737  2408.83   41.633 49.19751 69.57014 
1 1 1    9   21   26 o  505.287   29.110   6.6008   0.7548   6.0563   1.0529   7.1765   1.0826  483.770   42.331  526.804   39.970 -43.03397 58.21947 
1 1 1    9   21   28 o  739.114   42.056   14.342   1.5905   15.351   2.2020   13.240   2.2999  767.154   55.831  711.074   62.910 56.08057 84.11167 
1 1 1    9   21   30 o  1074.18   28.920   29.950   1.5970   29.827   2.2407   30.077   2.2767  1072.01   40.655  1076.36   41.141 -4.356445 57.84019 
1 1 1    9   21   32 o  751.175   29.291   14.706   1.1288   15.680   1.5891   13.714   1.6038  776.675   39.797  725.675   42.988 50.99957 58.58104 
1 1 1    9   21   34 o  271.013   35.267   1.6204   0.4803   3.9265   0.8436   0.5144   0.5842  387.857   42.305  154.170   56.440 233.6876 70.53493 
1 1 1    9   21   36 o  364.174   35.739   3.3180   0.6437   2.8800   0.7901   4.1828   1.1102  331.027   46.424  397.321   54.350 -66.29367 71.47792 
1 1 1    9   21   38 o  663.996   37.048   11.538   1.1941   11.170   1.4559   12.294   2.0871  651.510   43.466  676.482   60.009 -24.97174 74.09675 
1 1 1    9   21   40 o  605.503   30.758   9.7048   0.9559   10.111   1.3343   9.2762   1.3701  619.140   41.917  591.865   45.025 27.27472 61.51623 
1 1 1    9   21   42 o  316.097   32.273   2.6631   0.5234   2.8610   0.7409   2.4659   0.7394  328.242   43.900  303.952   47.317 24.29016 64.54528 
1 1 1    9   21   44 o  853.339   40.833   20.960   1.6128   22.817   1.9641   17.116   2.8259  927.110   41.207  779.569   70.508 147.5409 81.66617 
1 1 1    9   21   46 o  206.605   61.840   1.2150   0.7081   1.2150   0.7081   0.0000   0.0000  206.605   61.840  ?   ?       ?      ? 
1 1 1    9   21   48 o  296.552   40.607   2.3040   0.5677   1.8605   0.6841   3.2849   1.0174  255.454   53.792  337.649   60.846 -82.19466 81.21430 
1 1 1    9   21   50 o  296.463   43.700   2.9816   0.6418   3.8552   0.7963   1.3616   1.0844  377.451   41.034  215.475   77.167 161.9757 87.39900 
1 1 1    9   21   52 o  213.002   42.813   1.2558   0.4628   1.0346   0.5547   1.7623   0.8394  187.564   54.367  238.440   66.152 -50.87581 85.62654 
1 1 1    9   21   54 o   91.460   28.682   0.0000   0.1965   0.0000   0.2126   0.0000   0.5135   73.043   31.404  109.877   48.005 -36.83424 57.36428 
1 1 1    9   22    1 o  897.805   31.068   20.821   1.4123   20.946   1.8466   20.645   2.1920  901.342   39.849  894.269   47.676 7.073181 62.13614 
1 1 1    9   22    3 o  1241.84   27.855   39.847   1.7732   38.354   2.5784   41.188   2.4426  1219.56   41.122  1264.13   37.584 -44.57593 55.70935 
1 1 1    9   22    5 o  1146.87   29.759   33.883   1.7459   33.535   2.3484   34.313   2.6104  1140.47   40.052  1153.27   44.025 -12.79590 59.51756 
1 1 1    9   22    7 o  1463.25   32.065   55.566   2.3969   51.567   3.5112   59.057   3.2800  1413.28   48.323  1513.22   42.160 -99.93445 64.12912 
1 1 1    9   22    9 o  1959.24   31.068   99.166   3.1248   95.702   4.4910  102.417   4.3507  1925.80   45.359  1992.68   42.467 -66.88464 62.13589 
1 1 1    9   22   11 o  2262.18   30.249  132.029   3.5161  126.488   4.9551  137.649   4.9902  2214.23   43.527  2310.13   42.016 -95.90503 60.49730 
1 1 1    9   22   13 o  1201.88   29.861   37.231   1.8442   36.201   2.5585   38.345   2.6606  1184.62   42.009  1219.15   42.448 -34.52502 59.72101 
1 1 1    9   22   15 o  951.505   44.878   23.524   2.1677   23.815   2.8584   23.130   3.3255  959.114   57.966  943.897   68.526 15.21686 89.75505 
1 1 1    9   22   17 o  481.908   29.813   5.9873   0.7380   5.8478   1.0180   6.1417   1.0714  476.027   41.597  487.789   42.720 -11.76221 59.62653 
1 1 1    9   22   19 o  1422.74   34.836   52.018   2.4552   53.566   4.0840   51.142   3.0725  1438.11   55.236  1407.36   42.463 30.75427 69.67166 
1 1 1    9   22   21 o  1194.75   34.064   36.479   1.9829   35.561   2.4276   38.320   3.4369  1173.57   40.235  1215.93   54.978 -42.36145 68.12853 
1 1 1    9   22   23 o  941.790   29.106   22.968   1.4062   23.964   1.9544   21.900   2.0248  963.185   39.467  920.396   42.790 42.78906 58.21223 
1 1 1    9   22   25 o  2053.89   28.866  109.215   3.0443  111.597   4.2299  106.655   4.3849  2077.52   39.602  2030.26   42.009 47.25769 57.73256 
1 1 1    9   22   27 o  687.740   35.925   11.930   1.1838   11.316   1.4185   13.340   2.1485  660.789   41.753  714.690   58.473 -53.90137 71.84989 
1 1 1    9   22   29 o  289.878   31.520   2.1868   0.4692   2.1359   0.6756   2.2342   0.6521  286.523   45.860  293.232   43.255 -6.709412 63.04031 
1 1 1    9   22   31 o  497.485   29.953   6.4524   0.7647   6.7956   1.0715   6.0961   1.0917  511.217   40.767  483.754   43.896 27.46301 59.90683 
1 1 1    9   22   33 o  711.521   36.494   13.406   1.2631   12.977   2.1485   13.633   1.5614  700.134   59.687  722.909   42.010 -22.77448 72.98851 
1 1 1    9   22   35 o  485.009   39.920   6.5833   0.9042   7.2093   1.1072   5.3296   1.5669  525.124   41.011  444.894   68.503 80.22995 79.84085 
1 1 1    9   22   37 o  1162.33   29.551   35.453   1.7640   33.268   2.4685   37.734   2.5218  1125.22   42.671  1199.44   40.894 -74.21838 59.10287 
1 1 1    9   22   39 o  610.773   42.893   10.095   1.3461   9.9856   1.8672   10.212   1.9422  607.799   59.754  613.746   61.551 -5.946960 85.78500 
1 1 1    9   22   41 o  227.539   35.547   1.4283   0.4050   1.2409   0.5543   1.6430   0.5931  211.049   51.533  244.029   48.976 -32.97913 71.09385 
1 1 1    9   22   43 o  362.620   36.391   3.7373   0.6081   2.0698   0.8501   5.4847   0.8703  269.186   62.608  456.054   37.116 -186.8678 72.78254 
1 1 1    9   22   45 o  927.148   44.946   24.035   2.1328   26.660   3.0334   21.469   2.9993  981.141   60.136  873.154   66.813 107.9874 89.89101 
1 1 1    9   22   47 o  504.501   50.041   8.4034   1.0525   10.192   1.2944   4.9126   1.8082  616.876   40.813  392.126   91.382 224.7502 100.0820 
1 1 1    9   22   49 o  189.557   43.853   0.9901   0.5033   0.6732   0.6867   1.3578   0.7397  164.827   61.046  214.287   62.975 -49.45998 87.70645 
1 1 1    9   22   51 o  265.819   41.449   2.0165   0.5343   1.7753   0.6649   2.4564   0.8979  246.329   53.991  285.310   62.905 -38.98116 82.89816 
1 1 1    9   22   53 o  139.602   36.893   0.4836   0.3389   0.5303   0.3992   0.3632   0.6411  139.283   46.997  139.921   56.882 -0.6386261 73.78506 
1 1 1    9   23    0 o  1557.08   48.736   63.060   3.8698   61.725   5.6852   64.211   5.2824  1540.88   72.125  1573.29   65.565 0.000000 0.000000 
1 1 1    9   23    2 o  2179.27   28.044  122.646   3.1365  117.593   4.5092  127.383   4.3656  2135.48   41.071  2223.06   38.196 -87.58179 56.08717 
1 1 1    9   23    4 o  2179.49   27.697  122.571   3.0968  120.593   4.5098  124.335   4.2600  2162.61   40.561  2196.36   37.726 -33.74731 55.39317 
1 1 1    9   23    6 o  1179.71   29.559   35.746   1.7855   34.369   2.4007   37.451   2.6710  1154.52   40.445  1204.91   43.117 -50.39832 59.11753 
1 1 1    9   23    8 o  1810.81   31.687   84.710   2.9420   83.210   4.3014   86.029   4.0329  1795.45   46.598  1826.18   42.954 -30.72888 63.37484 
1 1 1    9   23   10 o  3510.18   30.950  318.013   5.5825  314.907   8.0033  320.957   7.7908  3493.24   44.562  3527.12   42.963 -33.87964 61.90000 
1 1 1    9   23   12 o  1843.90   30.276   87.716   2.8699   86.296   4.0325   89.174   4.0852  1828.76   42.890  1859.04   42.742 -30.27661 60.55111 
1 1 1    9   23   14 o  409.023   46.546   4.2701   0.9673   3.9069   1.2565   4.7983   1.5155  388.189   62.957  429.858   68.575 -41.66971 93.09182 
1 1 1    9   23   16 o  679.839   29.969   11.954   1.0452   12.414   1.4502   11.457   1.5078  693.586   40.668  666.092   44.030 27.49457 59.93723 
1 1 1    9   23   18 o  2587.67   39.642  173.477   5.2737  174.620   7.5031  172.360   7.4140  2596.04   56.216  2579.29   55.909 16.74683 79.28442 
1 1 1    9   23   20 o  1426.31   35.602   54.405   2.4252   57.839   2.9838   47.721   4.1627  1496.86   38.772  1355.77   59.721 141.0989 71.20300 
1 1 1    9   23   22 o  2843.09   28.890  208.728   4.2185  205.851   5.8172  211.918   6.1265  2822.73   40.085  2863.46   41.615 -40.73779 57.78077 
1 1 1    9   23   24 o  551.429   30.046   7.8681   0.8440   6.5159   1.1673   9.3493   1.2217  501.540   45.269  601.317   39.519 -99.77658 60.09148 
1 1 1    9   23   26 o  714.773   29.618   13.258   1.0866   13.609   1.5066   12.878   1.5686  724.839   40.429  704.707   43.296 20.13184 59.23695 
1 1 1    9   23   28 o  866.747   36.084   19.831   1.5239   18.845   2.5723   20.364   1.8916  847.808   59.013  885.686   41.541 -37.87726 72.16748 
1 1 1    9   23   30 f  193.263   35.734   1.0137   0.3640   1.2362   0.5118   0.7858   0.5179  213.527   47.808  172.999   53.121 40.52747 71.46704 
1 1 1    9   23   32 o  1092.22   29.472   31.150   1.6524   32.569   2.3133   29.672   2.3611  1118.17   40.239  1066.27   43.071 51.90063 58.94327 
1 1 1    9   23   34 o  245.378   38.832   1.4692   0.4623   1.0370   0.5607   2.3865   0.8168  195.047   54.047  295.710   55.773 -100.6627 77.66413 
1 1 1    9   23   36 o  523.494   30.810   7.1956   0.8274   6.5586   1.1507   7.8774   1.1905  499.193   44.836  547.795   42.270 -48.60165 61.61995 
1 1 1    9   23   38 o  442.562   45.337   5.3130   1.0301   4.9618   1.4205   5.7026   1.4961  426.946   64.714  458.179   63.512 -31.23251 90.67365 
1 1 1    9   23   40 o  753.669   30.351   15.037   1.1757   14.908   1.6402   15.173   1.6861  750.564   42.505  756.774   43.336 -6.209961 60.70147 
1 1 1    9   23   42 f  386.222   31.907   3.9768   0.6335   3.9122   0.8868   4.0441   0.9052  383.051   45.028  389.394   45.218 -6.343292 63.81373 
1 1 1    9   23   44 o  302.640   42.995   2.5524   0.6297   2.6620   1.0631   2.4931   0.7815  301.660   69.913  303.620   50.065 -1.959961 85.98974 
1 1 1    9   23   46 f  477.067   32.559   6.1744   0.7855   7.5703   1.1295   4.8674   1.0930  531.777   41.314  422.357   50.333 109.4196 65.11768 
1 1 1    9   23   48 o  257.260   50.442   2.0150   0.6870   2.0051   0.9126   2.0281   1.0434  257.938   67.894  256.582   74.619 1.356781 100.8842 
1 1 1    9   23   50 o  251.805   41.867   2.2038   0.5739   2.8489   0.6861   0.7003   1.0474  323.597   41.239  180.013   72.874 143.5832 83.73328 
1 1 1    9   23   52 o  149.527   38.072   0.5943   0.3969   0.8344   0.4703   0.0000   0.7398  169.285   50.334  129.770   57.134 39.51524 76.14397 
1 1 1    9   24    1 o  700.605   31.795   12.793   1.1217   13.359   1.4654   11.991   1.7431  719.823   39.597  681.388   49.757 38.43512 63.58968 
1 1 1    9   24    3 o  1180.69   28.183   36.052   1.7053   34.101   2.4677   37.834   2.3593  1149.87   41.743  1211.52   37.878 -61.65479 56.36692 
1 1 1    9   24    5 f  1058.10   27.868   28.972   1.5094   27.462   2.2041   30.305   2.0713  1031.87   41.547  1084.33   37.154 -52.45581 55.73641 
1 1 1    9   24    7 o  973.667   32.549   24.435   1.6249   24.945   2.3987   24.003   2.2088  982.906   47.468  964.429   44.548 18.47742 65.09756 
1 1 1    9   24    9 o  1131.90   31.875   33.113   1.8507   32.376   2.6922   33.773   2.5483  1119.77   46.764  1144.03   43.326 -24.25952 63.74905 
1 1 1    9   24   11 o  1352.03   30.971   47.205   2.1517   46.264   3.0736   48.109   3.0131  1338.71   44.657  1365.35   42.924 -26.64221 61.94146 
1 1 1    9   24   13 o  1984.92   45.726  101.606   4.6255   97.814   6.1009  106.734   7.0936  1942.60   61.086  2027.24   68.060 -84.63391 91.45289 
1 1 1    9   24   15 o  916.095   37.113   21.871   1.6593   21.213   2.8099   22.224   2.0560  904.454   60.428  927.736   43.105 -23.28253 74.22694 
1 1 1    9   24   17 o  1647.00   40.118   70.189   3.3938   74.450   4.9063   66.281   4.6996  1694.95   56.303  1599.06   57.164 95.88635 80.23583 
1 1 1    9   24   19 o  1731.63   29.261   77.425   2.6010   76.819   3.5739   78.106   3.7925  1724.66   40.306  1738.61   42.428 -13.94836 58.52112 
1 1 1    9   24   21 o  1032.04   29.274   27.543   1.5500   27.769   2.1293   27.289   2.2608  1036.73   39.949  1027.34   42.802 9.390503 58.54884 
1 1 1    9   24   23 f  2260.42   29.015  132.089   3.3682  130.165   4.6408  134.230   4.8962  2243.32   40.237  2277.52   41.814 -34.20190 58.03009 
1 1 1    9   24   25 o  409.315   30.444   4.3417   0.6400   4.2876   0.8835   4.4015   0.9285  406.696   42.256  411.934   43.839 -5.238251 60.88850 
1 1 1    9   24   27 o  1232.22   42.416   39.783   2.6786   39.203   3.6353   40.471   3.9620  1223.31   57.802  1241.14   62.091 -17.83228 84.83107 
1 1 1    9   24   29 o  539.183   30.220   7.5865   0.8354   7.9927   1.1613   7.1508   1.2026  554.485   40.737  523.881   44.650 30.60339 60.44096 
1 1 1    9   24   31 o  808.809   29.784   17.069   1.2376   17.405   1.7292   16.716   1.7720  817.229   41.156  800.388   43.063 16.84064 59.56718 
1 1 1    9   24   33 o  1001.74   35.995   26.355   1.7440   26.176   2.1307   26.719   3.0358  1000.77   41.411  1002.71   58.888 -1.940918 71.99086 
1 1 1    9   24   35 o  463.916   31.635   5.7515   0.7397   6.8566   1.0301   4.5745   1.0630  511.921   39.137  415.911   49.714 96.00967 63.27057 
1 1 1    9   24   37 f  411.032   38.755   4.2768   0.7572   3.9112   0.8966   5.1856   1.4138  384.663   45.338  437.401   62.867 -52.73810 77.51021 
1 1 1    9   24   39 f  1147.62   30.006   34.830   1.7702   34.809   2.4836   34.851   2.5238  1147.53   42.096  1147.71   42.771 -0.1856689 60.01216 
1 1 1    9   24   41 f  254.849   34.735   1.7563   0.4419   1.1434   0.5950   2.5099   0.6598  202.017   55.555  307.680   41.709 -105.6629 69.46948 
1 1 1    9   24   43 o  594.444   31.226   9.4504   0.9504   8.4060   1.3314   10.535   1.3570  559.831   46.259  629.056   41.958 -69.22552 62.45274 
1 1 1    9   24   45 o  391.363   38.273   4.0021   0.7341   3.5660   0.8928   4.9121   1.2896  362.824   47.863  419.901   59.737 -57.07776 76.54665 
1 1 1    9   24   47 o  574.915   40.513   9.2003   1.1203   9.0740   1.3639   9.4621   1.9640  577.464   45.941  572.365   66.743 5.098816 81.02617 
1 1 1    9   24   49 f  428.975   41.671   4.9247   0.8538   4.3736   1.0129   6.2780   1.5872  396.659   49.667  461.291   66.926 -64.63177 83.34167 
1 1 1    9   24   51 o  524.267   39.303   7.2803   1.0009   6.0459   1.1995   10.111   1.8165  462.167   50.481  586.367   60.255 -124.2000 78.60662 
1 1 1    9   25    0 o  177.319   55.903   1.1678   0.6113   1.6452   0.8145   0.5521   0.9250  219.453   78.887  135.186   79.232 -0.000000 0.000000 
1 1 1    9   25    2 o  1114.07   31.084   31.828   1.7636   30.650   2.3209   33.437   2.7130  1090.07   41.412  1138.07   46.367 -47.99646 62.16829 
1 1 1    9   25    4 f  2199.02   28.037  124.923   3.1615  121.151   4.5993  128.302   4.3530  2167.20   41.278  2230.84   37.954 -63.63452 56.07460 
1 1 1    9   25    6 o  1340.52   30.181   46.459   2.0667   47.221   2.7828   45.521   3.0861  1353.11   40.002  1327.93   45.203 25.18872 60.36102 
1 1 1    9   25    8 o  1404.96   32.208   50.864   2.3215   52.442   3.4164   49.510   3.1642  1425.01   46.631  1384.90   44.440 40.11145 64.41547 
1 1 1    9   25   10 o  1220.46   41.671   37.350   2.3971   35.618   2.8368   41.675   4.4825  1174.25   46.990  1266.68   68.831 -92.42627 83.34119 
1 1 1    9   25   12 o  1458.70   46.974   55.048   3.4890   53.799   4.6021   56.738   5.3504  1440.23   62.152  1477.18   70.451 -36.95007 93.94785 
1 1 1    9   25   14 o  655.132   39.439   11.609   1.2315   9.7029   2.0894   12.624   1.5245  611.039   66.509  699.225   42.406 -88.18591 78.87833 
1 1 1    9   25   16 o  472.437   34.518   5.5702   0.8169   4.9333   1.0247   6.6808   1.3532  436.876   45.623  507.998   51.812 -71.12259 69.03586 
1 1 1    9   25   18 o  1366.22   29.662   48.112   2.0808   45.279   2.8633   51.283   3.0292  1323.69   42.073  1408.76   41.823 -85.07361 59.32385 
1 1 1    9   25   20 o  1472.04   29.369   55.807   2.2179   51.204   3.0409   61.039   3.2420  1407.32   42.027  1536.75   41.034 -129.4261 58.73754 
1 1 1    9   25   22 o  762.395   29.614   15.008   1.1591   14.375   1.5883   15.730   1.6954  745.276   41.452  779.514   42.304 -34.23804 59.22756 
1 1 1    9   25   24 o  1026.91   29.544   27.335   1.5579   27.340   2.1509   27.331   2.2595  1027.21   40.727  1026.62   42.810 0.5931396 59.08773 
1 1 1    9   25   26 o  1088.98   43.014   31.017   2.3965   30.012   3.2130   32.278   3.5979  1070.06   58.403  1107.91   63.165 -37.84839 86.02773 
1 1 1    9   25   28 f  1285.79   29.395   42.921   1.9414   40.992   2.6791   45.054   2.8172  1255.45   41.507  1316.14   41.635 -60.68835 58.78971 
1 1 1    9   25   30 o  850.466   30.000   18.977   1.3028   21.093   1.8205   16.755   1.8651  900.220   39.335  800.713   45.307 99.50757 59.99970 
1 1 1    9   25   32 o  761.360   43.000   15.477   1.6653   12.793   2.3253   18.303   2.3860  691.319   65.424  831.401   55.819 -140.0821 86.00064 
1 1 1    9   25   34 o  1280.89   29.837   43.035   1.9645   42.948   2.7502   43.125   2.8071  1279.82   41.797  1281.97   42.590 -2.146973 59.67323 
1 1 1    9   25   36 o  403.442   31.360   4.2836   0.6495   4.0791   0.8892   4.5173   0.9509  393.238   43.984  413.646   44.712 -20.40836 62.72011 
1 1 1    9   25   38 o  593.065   38.842   9.6878   1.1116   8.7626   1.8767   10.188   1.3797  565.639   64.533  620.491   43.248 -54.85181 77.68465 
1 1 1    9   25   40 o  940.648   30.404   23.493   1.4680   21.796   2.0587   25.247   2.0938  905.225   44.236  976.070   41.723 -70.84552 60.80824 
1 1 1    9   25   42 o  551.004   31.244   8.1104   0.8837   7.5595   1.2437   8.6721   1.2558  531.468   45.517  570.540   42.813 -39.07117 62.48812 
1 1 1    9   25   44 o  295.730   41.959   2.4786   0.5976   2.5052   0.7408   2.4291   1.0109  304.495   47.322  286.965   69.303 17.53009 83.91830 
1 1 1    9   25   46 o  327.890   34.094   2.9291   0.5734   2.8343   0.7803   3.0404   0.8454  322.596   47.050  333.184   49.355 -10.58859 68.18775 
1 1 1    9   25   48 o  376.585   42.350   4.0976   0.7549   4.0882   1.2803   4.1026   0.9347  367.067   70.405  386.104   47.087 -19.03677 84.69992 
1 1 1    9   25   50 o  513.029   41.985   7.6839   1.0081   7.7271   1.2107   7.5865   1.8203  528.661   44.543  497.396   71.181 31.26474 83.96938 
1 1 1    9   25   52 o  210.369   38.943   1.5144   0.4849   1.9686   0.5733   0.3724   0.9090  266.125   41.898  154.612   65.657 111.5135 77.88589 
1 1 1    9   26    1 o  1193.09   32.411   37.654   1.9270   41.324   2.5161   32.447   2.9968  1265.89   38.661  1120.29   52.030 145.5997 64.82117 
1 1 1    9   26    3 o  1550.72   28.368   62.085   2.2587   60.766   3.2585   63.305   3.1338  1534.70   41.297  1566.75   38.905 -32.05066 56.73642 
1 1 1    9   26    5 o  1131.81   28.120   32.961   1.6340   34.592   2.3896   31.528   2.2393  1158.00   40.137  1105.61   39.394 52.39392 56.23980 
1 1 1    9   26    7 o  1129.72   30.129   32.949   1.7402   33.020   2.3418   32.860   2.6003  1131.34   40.262  1128.10   44.834 3.236084 60.25877 
1 1 1    9   26    9 o  3353.34   45.016  302.576   6.9338  317.513   8.2620  266.993   12.752  3505.99   45.836  3200.68   77.492 305.3088 90.03286 
1 1 1    9   26   11 o  351.507   79.655   3.3504   1.4062   0.0000   0.0000   3.3504   1.4062  ?   ?   351.507   79.655      ?      ? 
1 1 1    9   26   13 o  750.840   41.807   14.337   1.5977   17.328   2.4567   12.144   2.1031  817.474   58.453  684.206   59.788 133.2678 83.61391 
1 1 1    9   26   15 o  953.521   35.182   23.614   1.6617   23.843   2.0929   23.224   2.7331  960.688   42.374  946.354   56.173 14.33411 70.36346 
1 1 1    9   26   17 o  1114.29   30.172   32.113   1.7269   32.552   2.4009   31.642   2.4857  1122.33   41.608  1106.24   43.704 16.09106 60.34303 
1 1 1    9   26   19 o  987.644   30.114   25.284   1.5246   26.104   2.0988   24.368   2.2184  1004.90   40.623  970.386   44.465 34.51648 60.22749 
1 1 1    9   26   21 o  1218.30   29.778   38.511   1.8596   39.680   2.5581   37.200   2.7081  1238.34   40.180  1198.26   43.959 40.08191 59.55548 
1 1 1    9   26   23 o  284.424   35.586   2.1972   0.4952   2.8948   0.6992   1.4947   0.7016  334.216   40.690  234.631   58.393 99.58553 71.17185 
1 1 1    9   26   25 o  727.004   43.814   13.756   1.6263   12.807   2.1517   15.021   2.4836  698.562   59.912  755.446   63.946 -56.88440 87.62722 
1 1 1    9   26   27 o  652.340   29.979   11.097   1.0031   11.557   1.3925   10.600   1.4464  666.760   40.621  637.920   44.100 28.84009 59.95734 
1 1 1    9   26   29 o  1468.63   29.568   56.160   2.2310   54.321   3.0863   58.173   3.2288  1443.59   41.584  1493.67   42.045 -50.08521 59.13565 
1 1 1    9   26   31 o  445.987   44.599   5.3032   1.0178   6.0071   1.4675   4.6507   1.4130  475.244   60.060  416.729   65.949 58.51477 89.19848 
1 1 1    9   26   33 o  915.614   30.428   22.090   1.4252   24.336   2.0024   19.784   2.0290  964.087   40.399  867.141   45.512 96.94653 60.85559 
1 1 1    9   26   35 o  330.609   35.398   2.9782   0.5656   2.0531   0.7838   3.9829   0.8169  271.898   57.849  389.319   40.811 -117.4213 70.79564 
1 1 1    9   26   37 o  1214.49   43.754   40.200   2.7276   40.940   3.7773   39.393   3.9429  1228.43   59.809  1200.56   63.879 27.86218 87.50797 
1 1 1    9   26   39 o  509.503   31.229   6.8936   0.8175   6.6957   1.1317   7.1096   1.1822  501.984   43.850  517.022   44.476 -15.03790 62.45784 
1 1 1    9   26   41 o  380.808   32.289   3.8710   0.6307   3.5231   0.8724   4.2520   0.9129  362.545   46.804  399.072   44.493 -36.52625 64.57745 
1 1 1    9   26   43 o  701.052   45.782   13.865   1.6239   16.752   2.3244   11.112   2.2696  778.539   58.072  623.565   70.793 154.9736 91.56417 
1 1 1    9   26   45 o  546.687   31.597   8.0912   0.8870   8.3864   1.2429   7.7846   1.2664  557.658   43.352  535.716   45.978 21.94226 63.19306 
1 1 1    9   26   47 o  236.589   52.019   1.7189   0.6987   1.6885   0.9580   1.7534   1.0214  234.832   72.273  238.346   74.838 -3.514450 104.0388 
1 1 1    9   26   49 o  599.750   32.582   9.9618   0.9990   8.6836   1.3902   11.327   1.4366  557.651   48.488  641.850   43.533 -84.19965 65.16319 
1 1 1    9   26   51 o  552.111   50.723   10.046   1.1899   10.825   1.4209   8.2173   2.1774  622.234   44.415  481.987   91.207 140.2469 101.4468 
1 1 1    9   27    0 o  879.544   50.960   20.443   2.2596   19.785   3.3078   21.019   3.0942  864.824   75.729  894.263   68.211 0.000000 0.000000 
1 1 1    9   27    2 o  957.684   31.644   23.763   1.5366   24.187   2.0230   23.185   2.3626  968.195   40.640  947.173   48.517 21.02179 63.28875 
1 1 1    9   27    4 o  1047.45   28.492   28.247   1.5326   29.669   2.2332   26.981   2.1071  1072.30   40.508  1022.60   40.078 49.70435 56.98338 
1 1 1    9   27    6 o  734.283   28.329   13.839   1.0666   15.190   1.5740   12.692   1.4503  767.258   39.902  701.309   40.223 65.94910 56.65737 
1 1 1    9   27    8 o  1577.09   44.109   63.490   3.3448   61.640   4.0391   67.527   5.9665  1543.61   50.896  1610.56   72.056 -66.94434 88.21838 
1 1 1    9   27   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   27   12 o  155.072   37.265   0.5743   0.3542   0.5866   0.5212   0.5637   0.4828  157.135   53.700  153.009   51.683 4.126343 74.53040 
1 1 1    9   27   14 o  1453.17   30.931   54.598   2.3104   55.839   3.2670   53.357   3.2679  1469.78   43.234  1436.56   44.246 33.22375 61.86165 
1 1 1    9   27   16 o  1503.06   30.498   58.337   2.3542   54.661   3.2697   62.294   3.3924  1453.84   43.745  1552.29   42.508 -98.44531 60.99614 
1 1 1    9   27   18 o  1732.62   30.158   77.700   2.6840   78.344   3.7261   77.005   3.8695  1740.35   41.643  1724.89   43.634 15.45569 60.31641 
1 1 1    9   27   20 o  743.898   30.304   14.336   1.1573   14.315   1.5935   14.358   1.6834  743.495   41.688  744.300   43.993 -0.8052368 60.60736 
1 1 1    9   27   22 o  620.980   30.197   10.005   0.9624   10.023   1.3232   9.9860   1.4022  621.721   41.398  620.239   43.973 1.482300 60.39388 
1 1 1    9   27   24 f  124.820   36.445   0.0875   0.3496   0.0000   0.4150   0.3017   0.6491  103.852   44.238  145.789   57.930 -41.93669 72.88926 
1 1 1    9   27   26 o  355.507   34.215   3.4027   0.5928   4.2395   0.8340   2.5484   0.8427  403.846   40.168  307.168   55.400 96.67743 68.42929 
1 1 1    9   27   28 f  946.481   29.872   23.350   1.4523   23.056   2.0074   23.673   2.1038  940.463   41.516  952.497   42.961 -12.03412 59.74312 
1 1 1    9   27   30 o  469.061   43.965   5.8676   1.0590   6.2159   1.5047   5.5258   1.4908  483.289   60.559  454.833   63.753 28.45596 87.93098 
1 1 1    9   27   32 o  521.403   31.046   7.1400   0.8286   6.2948   1.1543   8.0386   1.1902  489.051   45.909  553.755   41.806 -64.70367 62.09165 
1 1 1    9   27   34 o  316.940   34.505   2.6965   0.5469   3.0585   0.7854   2.3558   0.7620  340.423   44.872  293.458   52.428 46.96494 69.00900 
1 1 1    9   27   36 f  232.413   48.398   1.4205   0.6386   0.8454   0.8421   2.1993   0.9799  187.448   67.890  277.379   68.996 -89.93118 96.79593 
1 1 1    9   27   38 o  652.338   31.416   11.326   1.0513   12.210   1.4899   10.449   1.4836  678.541   42.708  626.135   46.087 52.40643 62.83275 
1 1 1    9   27   40 o  430.221   31.476   4.9623   0.6920   5.4999   0.9705   4.4063   0.9869  455.077   41.479  405.364   47.355 49.71353 62.95259 
1 1 1    9   27   42 o  418.743   47.183   4.9888   0.9732   6.2514   1.4180   3.8644   1.3382  475.987   57.945  361.499   74.480 114.4881 94.36559 
1 1 1    9   27   44 o  319.404   35.550   2.8755   0.5560   3.3989   0.7670   2.2962   0.8070  355.740   41.939  283.068   57.413 72.67285 71.09973 
1 1 1    9   27   46 o  156.248   41.948   0.5711   0.4525   0.6685   0.5443   0.3530   0.8143  158.745   54.851  153.750   63.481 4.995575 83.89561 
1 1 1    9   27   48 o  582.180   32.455   9.3570   0.9707   9.1714   1.3426   9.5604   1.4051  576.673   45.283  587.686   46.505 -11.01367 64.90905 
1 1 1    9   27   50 o  383.587   34.680   4.1707   0.6812   4.1667   0.9245   4.1754   1.0075  385.059   46.698  382.116   51.283 2.942596 69.35917 
1 1 1    9   28    1 o  2090.80   47.703  113.479   5.1243  117.887   7.4129  109.445   7.0914  2129.55   67.707  2052.04   67.216 77.50903 95.40559 
1 1 1    9   28    3 o  654.298   35.538   11.081   1.1907   10.992   1.7601   11.155   1.6169  651.700   52.533  656.896   47.875 -5.195923 71.07540 
1 1 1    9   28    5 o  632.469   35.351   10.282   1.1428   10.931   1.7305   9.7804   1.5220  649.903   51.790  615.036   48.132 34.86652 70.70265 
1 1 1    9   28    7 o  916.486   51.776   21.741   2.4396   21.741   2.4396   0.0000   0.0000  916.486   51.776  ?   ?       ?      ? 
1 1 1    9   28    9 o  763.198   56.166   15.100   2.2038   0.0000   0.0000   15.100   2.2038  ?   ?   763.198   56.166      ?      ? 
1 1 1    9   28   11 o  2205.80   35.980  125.299   4.0240  121.869   5.2391  130.232   6.2837  2170.42   46.951  2241.18   54.534 -70.75586 71.96097 
1 1 1    9   28   13 o  681.523   32.159   12.083   1.1192   10.589   1.5951   13.532   1.5707  639.496   48.517  723.550   42.224 -84.05450 64.31699 
1 1 1    9   28   15 o  644.246   31.563   10.759   1.0431   11.543   1.4709   9.9652   1.4793  668.076   42.825  620.417   46.377 47.65869 63.12555 
1 1 1    9   28   17 o  992.633   30.768   25.499   1.5697   24.973   2.1859   26.060   2.2555  982.096   43.292  1003.17   43.732 -21.07275 61.53595 
1 1 1    9   28   19 o  831.018   30.953   17.954   1.3187   19.099   1.8417   16.750   1.8891  858.588   41.722  803.448   45.734 55.14020 61.90530 
1 1 1    9   28   21 o  1220.01   30.544   38.828   1.9061   41.624   2.6354   35.761   2.7603  1267.03   40.457  1172.99   45.771 94.03833 61.08817 
1 1 1    9   28   23 o  453.781   44.912   5.5547   0.8756   5.6182   1.0141   5.3689   1.7356  464.941   42.424  442.621   79.175 22.31909 89.82456 
1 1 1    9   28   25 o  1184.26   35.985   36.476   2.1143   37.631   3.5028   35.813   2.6519  1196.22   56.955  1172.30   43.999 23.91931 71.97071 
1 1 1    9   28   27 f  251.944   35.364   1.8122   0.4622   2.9673   0.6481   0.6173   0.6592  337.815   37.318  166.074   60.081 171.7406 70.72758 
1 1 1    9   28   29 o  240.243   47.067   1.5411   0.6075   2.0732   0.9246   1.1369   0.8060  272.988   66.494  207.498   66.630 65.49057 94.13328 
1 1 1    9   28   31 o  375.822   32.435   3.7149   0.6258   3.6732   0.8602   3.7619   0.9121  373.789   44.759  377.855   46.954 -4.065613 64.86932 
1 1 1    9   28   33 o  314.892   35.580   2.7299   0.5471   3.3103   0.7576   2.0974   0.7909  354.831   41.529  274.953   57.786 79.87772 71.16036 
1 1 1    9   28   35 o  372.775   44.209   3.8319   0.7624   3.8242   0.9206   3.8486   1.3601  379.315   47.206  366.236   74.761 13.07886 88.41740 
1 1 1    9   28   37 o  155.838   35.802   0.6285   0.3333   0.7887   0.4732   0.4707   0.4696  169.951   50.482  141.725   50.781 28.22583 71.60403 
1 1 1    9   28   39 f  704.926   31.005   13.235   1.1219   12.267   1.5673   14.252   1.6067  677.866   44.970  731.986   42.695 -54.11932 62.00956 
1 1 1    9   28   41 o  275.161   47.016   2.2015   0.6631   1.7807   0.9227   2.6512   0.9537  246.554   69.693  303.768   63.127 -57.21451 94.03265 
1 1 1    9   28   43 o  503.134   32.310   6.8901   0.8296   7.4905   1.1449   6.2265   1.2037  528.215   42.159  478.054   48.973 50.16086 64.62015 
1 1 1    9   28   45 o  618.038   31.913   10.377   1.0123   9.6002   1.3959   11.240   1.4703  593.197   45.771  642.878   44.484 -49.68127 63.82664 
1 1 1    9   28   47 o  356.193   33.664   3.5453   0.6102   3.8803   0.8374   3.1661   0.8908  376.542   43.257  335.844   51.593 40.69821 67.32788 
1 1 1    9   28   49 o  184.267   37.916   1.0055   0.3877   1.2185   0.5425   0.7834   0.5541  203.008   51.808  165.526   55.375 37.48285 75.83205 
1 1 1    9   29    0 o  916.128   69.551   22.079   3.2325   0.0000   0.0000   22.079   3.2325  916.128   69.551  916.128   69.551 0.000000 0.000000 
1 1 1    9   29    2 o  1911.15   50.216   94.517   4.9341   94.517   4.9341   0.0000   0.0000  1911.15   50.216  ?   ?       ?      ? 
1 1 1    9   29    4 o  460.160   55.020   5.4877   1.3017   5.4877   1.3017   0.0000   0.0000  460.160   55.020  ?   ?       ?      ? 
1 1 1    9   29    6 o  1279.38   43.309   41.368   2.6871   39.215   3.2562   45.964   4.7575  1230.56   51.467  1328.19   69.670 -97.62402 86.61896 
1 1 1    9   29    8 f  2388.48   43.834  148.036   5.3180  150.088   8.2035  146.549   6.9843  2400.73   66.464  2376.23   57.170 24.49976 87.66896 
1 1 1    9   29   10 o  763.324   33.253   15.135   1.2987   14.395   1.9037   15.780   1.7762  745.496   49.669  781.152   44.226 -35.65613 66.50515 
1 1 1    9   29   12 o  542.960   33.509   7.7523   0.9194   6.3038   1.3277   9.0868   1.2744  493.035   52.377  592.885   41.808 -99.85077 67.01727 
1 1 1    9   29   14 o  2329.71   31.481  140.582   3.7690  137.048   5.3595  144.040   5.3015  2300.43   45.315  2358.99   43.712 -58.56104 62.96201 
1 1 1    9   29   16 o  1030.06   31.222   27.490   1.6528   26.445   2.3200   28.566   2.3553  1010.10   44.675  1050.03   43.629 -39.93188 62.44451 
1 1 1    9   29   18 o  1259.27   30.888   41.104   1.9988   39.436   2.7860   42.873   2.8692  1232.90   43.953  1285.65   43.409 -52.74780 61.77513 
1 1 1    9   29   20 o  1192.28   30.763   37.049   1.8791   39.253   2.6069   34.666   2.7111  1229.94   41.225  1154.62   45.671 75.32239 61.52547 
1 1 1    9   29   22 o  306.154   47.307   2.7373   0.6643   3.0060   0.7771   2.0077   1.2805  339.838   44.478  272.470   83.507 67.36789 94.61315 
1 1 1    9   29   24 o  303.907   39.127   2.3321   0.5845   3.1206   0.9724   1.8861   0.7313  344.658   54.878  263.156   55.786 81.50208 78.25436 
1 1 1    9   29   26 o  558.271   43.865   9.1643   1.1024   6.0702   1.8892   10.762   1.3574  474.077   77.510  642.466   41.095 -168.3889 87.73023 
1 1 1    9   29   28 o  139.098   35.101   0.4412   0.3222   0.5745   0.4094   0.2245   0.5221  149.058   47.448  129.139   51.741 19.91898 70.20248 
1 1 1    9   29   30 o  158.967   36.289   0.6433   0.3384   0.7751   0.5017   0.5333   0.4583  170.555   52.271  147.380   50.352 23.17554 72.57745 
1 1 1    9   29   32 o  442.723   32.383   5.1543   0.7345   4.5913   1.0050   5.7998   1.0761  416.592   46.923  468.853   44.641 -52.26056 64.76562 
1 1 1    9   29   34 o  330.670   33.144   2.9033   0.5631   2.8674   0.7811   2.9422   0.8126  328.688   46.222  332.652   47.515 -3.964233 66.28841 
1 1 1    9   29   36 o  592.554   38.677   9.5439   1.1245   9.2798   1.8752   9.6922   1.4052  581.573   62.714  603.534   45.285 -21.96063 77.35491 
1 1 1    9   29   38 o  191.226   35.620   0.9874   0.3950   1.6412   0.5616   0.3469   0.5558  244.118   46.441  138.334   54.021 105.7844 71.23936 
1 1 1    9   29   40 o  646.175   38.867   11.476   1.2216   11.231   2.0743   11.606   1.5116  634.250   63.614  658.101   44.676 -23.85071 77.73453 
1 1 1    9   29   42 o  569.989   32.027   8.7946   0.9356   9.3938   1.3091   8.1689   1.3377  591.197   43.069  548.781   47.414 42.41650 64.05485 
1 1 1    9   29   44 o  230.115   36.220   1.5293   0.4327   2.0163   0.5997   1.0003   0.6250  273.008   42.722  187.222   58.501 85.78625 72.44001 
1 1 1    9   29   46 f  242.931   41.050   1.4216   0.5159   3.0615   0.9267   0.6850   0.6211  323.979   57.752  161.884   58.354 162.0948 82.10036 
1 1 1    9   29   48 o  330.901   37.196   3.2023   0.6046   3.6555   0.8273   2.6829   0.8856  363.047   44.323  298.754   59.747 64.29312 74.39226 
1 1 1    9   30    1 o  707.583   53.032   13.095   1.9230   11.779   2.6946   14.460   2.7452  670.857   78.125  744.310   71.737 -73.45227 106.0648 
1 1 1    9   30    3 o  1305.39   51.412   44.420   3.4473   42.197   4.7636   46.865   4.9951  1271.11   72.892  1339.68   72.523 -68.57202 102.8241 
1 1 1    9   30    5 o  1093.47   40.220   30.710   1.9323   31.682   3.9645   30.407   2.2130  1101.96   69.977  1084.99   39.673 16.96765 80.44097 
1 1 1    9   30    7 o  1029.76   31.971   27.540   1.6385   27.000   2.6620   27.870   2.0790  1020.75   50.725  1038.78   38.929 -18.02545 63.94149 
1 1 1    9   30    9 o  1121.72   33.478   32.571   1.9256   32.716   2.8309   32.446   2.6268  1123.76   48.999  1119.68   45.632 4.080322 66.95691 
1 1 1    9   30   11 o  1701.25   32.740   75.039   2.8572   73.830   4.1635   76.114   3.9282  1687.82   47.981  1714.69   44.559 -26.86853 65.48032 
1 1 1    9   30   13 o  1051.71   32.537   28.797   1.7515   26.359   2.5179   31.083   2.4381  1007.89   48.590  1095.53   43.287 -87.64752 65.07497 
1 1 1    9   30   15 f  362.386   36.103   3.4874   0.6359   4.5851   0.9221   2.4922   0.8780  420.614   42.641  304.158   58.270 116.4562 72.20568 
1 1 1    9   30   17 o  735.474   31.707   14.054   1.1970   13.061   1.6828   15.071   1.7031  708.944   46.169  762.003   43.472 -53.05902 63.41433 
1 1 1    9   30   19 o  973.663   31.129   24.751   1.5512   26.753   2.1604   22.621   2.2287  1015.11   41.395  932.215   46.502 82.89520 62.25791 
1 1 1    9   30   21 o  794.044   42.794   16.706   1.5210   16.824   1.7669   16.370   2.9887  804.162   42.736  783.925   74.156 20.23749 85.58868 
1 1 1    9   30   23 o  222.188   41.129   1.3219   0.4622   1.4508   0.7670   1.2485   0.5792  230.394   62.959  213.982   52.939 16.41272 82.25807 
1 1 1    9   30   25 o  312.762   44.034   2.5640   0.6443   3.0315   1.1574   2.3540   0.7756  330.691   70.245  294.832   53.118 35.85880 88.06726 
1 1 1    9   30   27 f  171.825   38.897   0.7477   0.3816   0.6562   0.4884   0.8911   0.6114  159.857   51.923  183.794   57.931 -23.93748 77.79438 
1 1 1    9   30   29 o  1249.11   30.449   40.996   1.9525   41.524   2.6993   40.416   2.8277  1258.36   41.723  1239.86   44.360 18.50439 60.89838 
1 1 1    9   30   31 o  1464.09   30.484   56.476   2.2918   56.656   3.1678   56.279   3.3199  1467.44   41.988  1460.73   44.206 6.710327 60.96835 
1 1 1    9   30   33 f  1002.95   30.737   26.653   1.5816   27.801   2.2010   25.428   2.2742  1026.43   41.708  979.476   45.161 46.95233 61.47427 
1 1 1    9   30   35 o  894.761   36.800   20.821   1.6334   24.266   2.7687   18.983   2.0229  945.723   56.944  843.798   46.630 101.9245 73.60002 
1 1 1    9   30   37 o  600.438   31.645   9.6464   0.9730   10.509   1.3675   8.7621   1.3847  628.869   42.294  572.007   47.084 56.86194 63.29043 
1 1 1    9   30   39 f  176.210   39.450   0.8349   0.3876   0.8863   0.6583   0.8077   0.4796  181.408   60.348  171.012   50.826 10.39592 78.89957 
1 1 1    9   30   41 o  141.420   33.789   0.5153   0.2906   0.5059   0.3910   0.5269   0.4343  139.448   46.516  143.392   49.020 -3.944382 67.57740 
1 1 1    9   30   43 o  402.678   33.497   4.4844   0.6829   5.1569   0.9463   3.7535   0.9865  437.087   42.111  368.269   52.105 68.81757 66.99481 
1 1 1    9   30   45 o  290.083   54.927   2.6282   0.8221   2.3628   1.0565   3.0355   1.3088  274.507   73.426  305.658   81.712 -31.15097 109.8549 
1 1 1    9   30   47 o  238.264   34.869   1.7034   0.4544   0.5192   0.6420   2.8926   0.6433  150.355   58.239  326.172   38.363 -175.8172 69.73858 
1 1 1    9   31    0 o  529.179   57.761   7.7075   1.4535   8.3138   2.1861   7.2270   1.9460  548.122   83.271  510.237   80.070 0.000000 0.000000 
1 1 1    9   31    2 o  639.747   43.113   10.294   1.3331   11.678   2.3857   9.6660   1.6075  668.857   69.378  610.636   51.203 58.22089 86.22646 
1 1 1    9   31    4 o  260.175   36.853   1.6682   0.4758   2.4727   0.7866   1.2042   0.5974  308.897   49.531  211.453   54.583 97.44411 73.70656 
1 1 1    9   31    6 o  361.607   31.050   3.4133   0.5720   2.9860   0.8268   3.8057   0.7922  339.511   47.367  383.702   40.160 -44.19144 62.10036 
1 1 1    9   31    8 o  428.293   29.664   4.7400   0.6527   4.9800   0.9414   4.5178   0.9059  438.734   41.734  417.852   42.167 20.88251 59.32804 
1 1 1    9   31   10 o  1194.93   33.196   37.048   2.0346   36.743   2.9738   37.316   2.7898  1189.93   48.610  1199.94   45.222 -10.00671 66.39203 
1 1 1    9   31   12 o  1565.58   32.738   63.729   2.6279   61.555   3.8201   65.683   3.6208  1539.55   48.262  1591.62   44.249 -52.07251 65.47677 
1 1 1    9   31   14 o  509.768   33.148   6.7578   0.8676   6.6284   1.2522   6.8773   1.2033  504.911   48.238  514.626   45.478 -9.715088 66.29575 
1 1 1    9   31   16 o  1218.29   31.861   38.603   1.9940   36.899   2.8238   40.297   2.8161  1191.16   46.110  1245.43   43.981 -54.27429 63.72160 
1 1 1    9   31   18 o  751.198   31.600   14.678   1.2197   13.999   1.7077   15.385   1.7428  733.343   45.292  769.052   44.077 -35.70874 63.19931 
1 1 1    9   31   20 o  555.240   52.841   9.5481   1.1662   10.782   1.3616   6.1502   2.2598  643.876   41.131  466.604   97.349 177.2719 105.6817 
1 1 1    9   31   22 o  1477.53   37.324   58.411   2.7128   53.354   4.4306   61.443   3.4312  1420.34   60.674  1534.71   43.486 -114.3660 74.64841 
1 1 1    9   31   24 o  575.021   43.067   9.4334   1.1501   6.9980   1.9508   10.731   1.4238  509.277   74.506  640.764   43.219 -131.4864 86.13425 
1 1 1    9   31   26 o  572.877   35.534   8.4158   1.0091   7.8062   1.2509   9.5516   1.7075  545.532   44.600  600.221   55.331 -54.68829 71.06837 
1 1 1    9   31   28 o  172.274   36.996   0.7696   0.3693   0.4786   0.5136   1.0813   0.5315  146.185   53.009  198.363   51.622 -52.17801 73.99123 
1 1 1    9   31   30 o  963.530   30.810   24.400   1.5229   22.293   2.0953   26.759   2.2174  919.151   44.339  1007.91   42.791 -88.75757 61.61953 
1 1 1    9   31   32 o  145.846   34.338   0.5016   0.3142   0.7881   0.4603   0.2515   0.4300  170.055   49.591  121.637   47.510 48.41787 68.67663 
1 1 1    9   31   34 o  256.380   49.612   1.9655   0.7133   2.5943   0.9308   1.0708   1.1104  303.211   61.809  209.548   77.623 93.66263 99.22489 
1 1 1    9   31   36 o  417.006   32.235   4.6471   0.6907   4.7315   0.9665   4.5591   0.9874  421.202   44.632  412.810   46.523 8.392059 64.47007 
1 1 1    9   31   38 o  302.478   44.978   2.7779   0.6479   2.0647   1.1274   3.1297   0.7918  263.243   77.852  341.713   45.067 -78.47034 89.95584 
1 1 1    9   31   40 o  790.865   32.283   16.993   1.3015   19.043   1.8180   14.837   1.8642  843.075   41.943  738.654   49.089 104.4207 64.56696 
1 1 1    9   31   42 o  246.694   36.996   1.7364   0.4537   1.7399   0.6189   1.7324   0.6670  247.797   50.296  245.591   54.270 2.206161 73.99285 
1 1 1    9   31   44 o  394.072   54.372   4.8890   1.0617   5.3837   1.4138   4.2493   1.6077  429.905   63.967  358.239   87.941 71.66531 108.7449 
1 1 1    9   31   46 o  227.851   38.818   1.5405   0.4471   1.5570   0.5958   1.5193   0.6764  230.855   51.503  224.847   58.094 6.007553 77.63694 
1 1 1    9   31   48 o  403.515   34.216   4.6304   0.7094   4.4506   0.9824   4.8264   1.0254  395.390   48.328  411.641   48.451 -16.25073 68.43291 
1 1 1    9   32    1 o  794.490   35.796   16.378   1.4619   16.754   2.0902   16.017   2.0454  803.433   50.601  785.548   50.646 17.88507 71.59221 
1 1 1    9   32    3 o  1050.78   31.993   28.509   1.7099   27.955   2.2491   29.268   2.6320  1039.28   42.093  1062.29   48.191 -23.00671 63.98628 
1 1 1    9   32    5 o  1549.78   28.945   62.103   2.3035   63.164   3.3523   61.154   3.1705  1562.11   41.741  1537.45   40.110 24.65796 57.88909 
1 1 1    9   32    7 o  968.444   29.183   24.299   1.4486   24.066   2.1280   24.500   1.9774  963.831   42.944  973.057   39.527 -9.225891 58.36564 
1 1 1    9   32    9 o  1624.07   30.835   68.562   2.5573   70.046   3.4454   66.741   3.8162  1644.57   40.749  1603.57   46.288 41.00500 61.66902 
1 1 1    9   32   11 o  141.823   35.415   0.4562   0.3268   0.2769   0.5077   0.5830   0.4271  132.190   51.629  151.455   48.490 -19.26469 70.82954 
1 1 1    9   32   13 o  1008.46   32.709   26.380   1.6929   28.696   2.4551   24.282   2.3374  1050.74   45.447  966.181   47.056 84.56335 65.41886 
1 1 1    9   32   15 o  997.949   32.428   25.993   1.6585   23.941   2.3668   27.972   2.3247  958.556   48.025  1037.34   43.588 -78.78540 64.85632 
1 1 1    9   32   17 o  761.495   32.095   15.106   1.2565   15.311   1.7819   14.904   1.7720  766.664   45.207  756.326   45.571 10.33789 64.19013 
1 1 1    9   32   19 o  1675.09   42.896   73.939   3.2582   73.810   3.8034   74.296   6.3158  1682.71   43.963  1667.48   73.671 15.22412 85.79139 
1 1 1    9   32   21 o  208.539   39.308   0.9706   0.4468   2.0070   0.7635   0.4307   0.5510  271.116   56.602  145.962   54.558 125.1534 78.61539 
1 1 1    9   32   23 o  652.883   44.330   11.466   1.4701   10.415   2.1868   12.333   1.9858  623.180   68.254  682.586   56.585 -59.40674 88.65945 
1 1 1    9   32   25 o  522.332   36.980   7.1282   0.9563   6.8979   1.1926   7.5430   1.6004  512.499   45.261  532.166   58.495 -19.66644 73.96078 
1 1 1    9   32   27 o  391.875   33.085   4.0823   0.6607   4.5802   0.9206   3.5535   0.9488  417.508   42.889  366.243   50.388 51.26495 66.16930 
1 1 1    9   32   29 o  998.351   31.347   26.369   1.6051   27.612   2.2324   25.039   2.3094  1023.87   42.410  972.833   46.173 51.03467 62.69365 
1 1 1    9   32   31 o  611.154   40.652   9.6403   1.1461   9.0956   1.3362   11.157   2.2293  585.984   44.351  636.323   68.143 -50.33881 81.30450 
1 1 1    9   32   33 o  483.721   49.128   6.3302   1.1694   4.9006   1.5100   8.4725   1.8485  413.051   73.814  554.391   64.852 -141.3408 98.25654 
1 1 1    9   32   35 o  759.969   32.775   15.739   1.2462   19.407   1.7430   11.903   1.7825  856.330   39.589  663.608   52.245 192.7216 65.55063 
1 1 1    9   32   37 o  1108.23   37.976   32.675   2.0806   36.474   3.5267   30.647   2.5768  1148.99   59.701  1067.48   46.951 81.50610 75.95118 
1 1 1    9   32   39 o  585.953   38.152   9.2235   1.0964   8.7337   1.3475   10.183   1.8861  568.620   46.095  603.286   60.808 -34.66595 76.30431 
1 1 1    9   32   41 o  205.419   36.628   1.2069   0.3982   1.6132   0.5675   0.8128   0.5589  239.461   47.771  171.377   55.536 68.08397 73.25540 
1 1 1    9   32   43 o  312.342   48.137   3.4926   0.7371   4.2594   0.8720   1.5735   1.3796  395.528   42.881  229.155   86.196 166.3737 96.27340 
1 1 1    9   32   45 o  337.740   39.226   3.4765   0.6202   5.1617   0.8779   1.7978   0.8762  435.638   39.198  239.841   67.959 195.7965 78.45290 
1 1 1    9   32   47 o  357.754   35.617   3.6717   0.6259   2.8203   0.8542   4.6590   0.9198  307.076   56.174  408.432   43.802 -101.3564 71.23357 
1 1 1    9   33    0 o  243.521   68.166   2.1016   0.8241   1.8104   1.1025   2.4702   1.2405  220.725   94.820  266.317   97.959 -0.000000 0.000000 
1 1 1    9   33    2 o  1128.10   35.539   33.046   2.0580   35.719   2.9624   30.553   2.8612  1172.42   49.146  1083.79   51.349 88.63477 71.07793 
1 1 1    9   33    4 o  1155.06   29.373   34.603   1.7423   33.668   2.5020   35.483   2.4278  1139.64   42.702  1170.47   40.344 -30.82788 58.74590 
1 1 1    9   33    6 o  1149.47   29.486   34.430   1.7331   31.676   2.5147   36.921   2.3918  1104.86   44.269  1194.09   38.961 -89.22815 58.97218 
1 1 1    9   33    8 o  805.594   34.644   17.031   1.3889   17.500   1.7701   16.282   2.2402  821.419   41.915  789.769   55.173 31.64978 69.28826 
1 1 1    9   33   10 o  428.499   32.184   4.7192   0.7041   4.0394   0.9450   5.5675   1.0557  394.082   46.644  462.916   44.358 -68.83466 64.36836 
1 1 1    9   33   12 f  664.090   33.872   11.488   1.1540   11.512   1.6892   11.467   1.5801  664.456   49.449  663.724   46.305 0.7323608 67.74478 
1 1 1    9   33   14 o  693.815   33.633   12.628   1.1918   11.241   1.7117   13.934   1.6604  655.919   50.760  731.712   44.138 -75.79279 67.26611 
1 1 1    9   33   16 o  344.498   34.268   3.1005   0.6069   3.1685   0.8618   3.0336   0.8547  348.283   48.129  340.714   48.793 7.569092 68.53564 
1 1 1    9   33   18 f  694.965   46.505   13.333   1.4397   13.919   1.6870   11.762   2.7623  730.169   44.938  659.761   81.435 70.40802 93.01089 
1 1 1    9   33   20 o  628.790   40.204   10.869   1.2222   9.0074   2.0031   11.973   1.5426  580.806   67.082  676.774   44.333 -95.96826 80.40788 
1 1 1    9   33   22 o  803.417   43.608   17.104   1.7902   18.086   2.7127   16.346   2.3828  822.558   64.145  784.276   59.094 38.28198 87.21631 
1 1 1    9   33   24 o  560.013   32.392   8.2154   0.9286   7.2111   1.2749   9.3502   1.3552  523.254   47.392  596.772   44.169 -73.51758 64.78353 
1 1 1    9   33   26 o  552.846   32.408   8.0289   0.9190   7.3463   1.2586   8.8085   1.3451  527.601   46.400  578.090   45.257 -50.48883 64.81676 
1 1 1    9   33   28 o  380.346   36.584   4.0013   0.6728   4.9537   0.9319   2.9644   0.9724  433.711   41.793  326.981   60.057 106.7298 73.16764 
1 1 1    9   33   30 o  526.336   33.261   7.3786   0.8892   5.9865   1.2334   8.8851   1.2831  473.129   50.705  579.543   43.062 -106.4132 66.52270 
1 1 1    9   33   32 o  749.443   43.329   15.479   1.4671   15.613   1.7181   15.118   2.8192  766.802   43.581  732.084   74.903 34.71857 86.65861 
1 1 1    9   33   34 o  400.728   35.350   4.4116   0.7113   5.0028   0.9580   3.6855   1.0617  433.634   42.970  367.822   56.144 65.81146 70.70071 
1 1 1    9   33   36 o  761.787   38.291   15.358   1.4454   17.665   2.4501   14.127   1.7901  799.657   59.594  723.918   48.096 75.73938 76.58140 
1 1 1    9   33   38 o  654.785   38.386   11.590   1.2340   11.108   1.5221   12.514   2.1076  641.231   46.171  668.339   61.336 -27.10809 76.77102 
1 1 1    9   33   40 o  371.749   34.567   3.7998   0.6515   3.0759   0.9103   4.5602   0.9329  333.211   53.135  410.287   44.228 -77.07617 69.13361 
1 1 1    9   33   42 o  391.939   33.582   4.2304   0.6759   4.1792   0.9314   4.2874   0.9823  390.004   46.453  393.875   48.510 -3.870880 67.16452 
1 1 1    9   33   44 o  152.169   37.792   0.6032   0.3557   0.6898   0.5910   0.5541   0.4453  160.246   57.013  144.093   49.622 16.15375 75.58347 
1 1 1    9   33   46 o  324.138   35.091   2.9887   0.5837   2.7525   0.8070   3.2480   0.8453  310.089   50.618  338.187   48.615 -28.09787 70.18217 
1 1 1    9   34    1 o  1169.43   35.774   35.607   2.1498   37.187   3.0760   34.098   3.0059  1194.94   50.069  1143.92   51.111 51.01660 71.54837 
1 1 1    9   34    3 o  601.552   32.811   9.3688   1.0047   9.1360   1.3235   9.6854   1.5435  593.196   43.396  609.909   49.223 -16.71240 65.62144 
1 1 1    9   34    5 o  287.128   34.641   2.1914   0.4838   3.1337   0.7149   1.3953   0.6571  347.634   39.998  226.623   56.570 121.0102 69.28201 
1 1 1    9   34    7 o  703.351   30.232   13.000   1.0800   11.159   1.5695   14.655   1.4884  654.829   46.620  751.872   38.505 -97.04388 60.46492 
1 1 1    9   34    9 o  641.950   29.823   10.774   0.9779   9.8429   1.4235   11.606   1.3456  615.056   45.017  668.844   39.131 -53.78754 59.64686 
1 1 1    9   34   11 o  1546.54   30.736   62.226   2.4282   62.224   3.2561   62.229   3.6448  1547.56   40.924  1545.53   45.869 2.034302 61.47147 
1 1 1    9   34   13 o  849.016   33.431   18.863   1.4548   18.006   2.1102   19.639   2.0083  829.992   49.452  868.039   45.000 -38.04712 66.86189 
1 1 1    9   34   15 o  889.177   33.021   20.649   1.5087   20.852   2.1741   20.461   2.0954  893.182   47.344  885.171   46.044 8.011780 66.04204 
1 1 1    9   34   17 o  701.766   44.265   12.522   1.4286   11.883   1.6629   14.320   2.7912  673.559   48.020  729.973   74.374 -56.41357 88.52938 
1 1 1    9   34   19 o  543.718   46.894   7.7517   1.3109   0.0000   0.0000   7.7517   1.3109  ?   ?   543.718   46.894      ?      ? 
1 1 1    9   34   21 o  270.252   49.649   2.0875   0.6955   1.7101   1.1047   2.3353   0.8951  249.761   77.733  290.742   61.788 -40.98119 99.29805 
1 1 1    9   34   23 o  753.843   32.317   14.944   1.2512   14.014   1.7453   15.927   1.7945  729.415   46.541  778.270   44.849 -48.85449 64.63316 
1 1 1    9   34   25 o  400.852   33.457   4.2504   0.6872   4.7063   0.9822   3.8135   0.9617  422.393   45.230  379.311   49.312 43.08224 66.91383 
1 1 1    9   34   27 o  178.366   38.812   0.8577   0.3907   0.8411   0.5463   0.8751   0.5588  176.780   54.607  179.952   55.170 -3.171799 77.62453 
1 1 1    9   34   29 o  641.685   32.550   10.909   1.0720   10.128   1.4727   11.789   1.5635  617.154   46.413  666.216   45.648 -49.06195 65.09941 
1 1 1    9   34   31 o  468.634   42.805   5.6645   0.9334   5.2298   1.0906   6.8551   1.8048  442.220   47.967  495.047   70.910 -52.82632 85.60944 
1 1 1    9   34   33 o  723.231   32.871   14.101   1.2115   15.778   1.6876   12.319   1.7403  770.189   42.620  676.273   50.055 93.91620 65.74122 
1 1 1    9   34   35 o  500.233   40.187   6.2945   0.9871   9.1290   1.7369   4.9425   1.1996  575.314   58.722  425.153   54.880 150.1614 80.37493 
1 1 1    9   34   37 o  389.772   42.188   3.8373   0.7585   1.9578   0.9370   7.4105   1.2920  256.909   69.334  522.636   48.083 -265.7272 84.37518 
1 1 1    9   34   39 o  860.811   32.815   20.297   1.4381   23.214   2.0243   17.324   2.0434  927.593   42.448  794.030   50.055 133.5630 65.62997 
1 1 1    9   34   41 o  132.355   34.029   0.4211   0.3004   0.4817   0.3997   0.3424   0.4553  136.480   47.009  128.230   49.213 8.249969 68.05727 
1 1 1    9   34   43 o  222.526   50.879   1.4305   0.6544   1.0325   0.8225   2.1172   1.0803  189.374   67.270  255.678   76.349 -66.30360 101.7572 
1 1 1    9   34   45 o  226.037   36.353   1.4972   0.4366   0.8828   0.6050   2.1649   0.6307  173.454   57.859  278.621   44.028 -105.1670 72.70603 
1 1 1    9   35    0 o  808.657   52.982   17.443   2.1539   16.026   2.9482   19.064   3.1543  772.299   75.936  845.015   73.906 -0.000000 0.000000 
1 1 1    9   35    2 o  1613.24   35.678   67.932   2.9583   67.877   4.2326   67.984   4.1365  1612.31   51.061  1614.17   49.844 -1.855225 71.35574 
1 1 1    9   35    4 o  1142.94   32.721   34.277   1.8955   35.747   2.5129   32.337   2.8873  1172.99   41.669  1112.90   50.462 60.09802 65.44273 
1 1 1    9   35    6 o  507.607   30.620   6.6746   0.7955   7.6207   1.1629   5.8424   1.0907  541.485   41.772  473.728   44.782 67.75705 61.24014 
1 1 1    9   35    8 o  762.656   29.752   15.169   1.1626   14.507   1.6925   15.760   1.5996  746.420   44.103  778.892   39.946 -32.47198 59.50475 
1 1 1    9   35   10 o  825.318   29.167   17.683   1.2363   18.733   1.7928   16.731   1.7072  848.668   41.090  801.969   41.406 46.69873 58.33373 
1 1 1    9   35   12 o  679.871   34.650   12.173   1.2023   11.220   1.7631   13.001   1.6439  653.972   52.440  705.770   45.304 -51.79791 69.29900 
1 1 1    9   35   14 o  1034.14   33.523   27.978   1.7805   28.249   2.5827   27.732   2.4579  1038.53   48.371  1029.75   46.426 8.786133 67.04541 
1 1 1    9   35   16 o  563.624   55.410   9.6821   1.2866   10.817   1.5164   6.7660   2.4310  642.754   45.888  484.495  100.873 158.2594 110.8198 
1 1 1    9   35   18 o  1183.29   58.220   37.173   3.5419   0.0000   0.0000   37.173   3.5419  ?   ?   1183.29   58.220      ?      ? 
1 1 1    9   35   20 o  537.271   36.922   7.3525   0.9990   6.2505   1.2669   9.1647   1.6246  486.469   50.653  588.073   53.733 -101.6043 73.84381 
1 1 1    9   35   22 f  172.308   37.469   0.7919   0.3642   0.7826   0.5148   0.8013   0.5154  171.480   53.012  173.135   52.965 -1.654724 74.93757 
1 1 1    9   35   24 o  340.419   36.402   3.0877   0.6171   2.5558   0.8318   3.7386   0.9202  305.087   55.059  375.752   47.633 -70.66440 72.80434 
1 1 1    9   35   26 o  337.318   36.495   3.0865   0.6097   2.5053   0.8493   3.7045   0.8759  300.699   57.025  373.936   45.558 -73.23721 72.98943 
1 1 1    9   35   28 o  258.135   38.790   1.8627   0.5097   1.3549   0.7306   2.3441   0.7114  219.506   62.006  296.764   46.624 -77.25816 77.57923 
1 1 1    9   35   30 o  175.430   45.455   0.7420   0.5011   0.8437   0.5746   0.4189   1.0242  176.817   56.207  174.044   71.452 2.772491 90.90974 
1 1 1    9   35   32 o  665.585   39.125   12.086   1.2891   11.950   2.1165   12.166   1.6253  657.394   62.623  673.776   46.919 -16.38171 78.24950 
1 1 1    9   35   34 o  614.771   43.129   10.726   1.2627   9.7335   2.1758   11.230   1.5505  583.442   72.536  646.099   46.677 -62.65759 86.25708 
1 1 1    9   35   36 o  443.783   41.060   5.4335   0.8808   5.3546   1.0765   5.5933   1.5320  444.660   47.087  442.905   67.278 1.754639 82.11926 
1 1 1    9   35   38 o  317.235   36.445   2.7711   0.5936   2.8833   0.8676   2.6723   0.8140  322.964   52.250  311.507   50.823 11.45700 72.89088 
1 1 1    9   35   40 o  267.884   38.029   2.0663   0.5054   2.3136   0.7276   1.8358   0.7026  284.805   51.593  250.964   55.885 33.84113 76.05901 
1 1 1    9   35   42 o  222.849   50.084   1.5226   0.6373   1.3775   0.8293   1.7321   0.9961  212.114   67.534  233.584   73.978 -21.46965 100.1678 
1 1 1    9   35   44 o  146.104   34.439   0.5785   0.3136   0.7920   0.4412   0.3605   0.4459  165.008   48.678  127.201   48.731 37.80730 68.87844 
1 1 1    9   36    1 o  452.625   37.508   5.3735   0.8714   5.0395   1.2342   5.7056   1.2306  438.298   54.772  466.951   51.259 -28.65317 75.01679 
1 1 1    9   36    3 o  1000.89   36.690   26.490   1.8637   21.945   2.6584   30.883   2.6136  913.900   56.579  1087.89   46.728 -173.9885 73.38049 
1 1 1    9   36    5 o  901.160   29.944   21.152   1.3859   20.868   1.9971   21.415   1.9249  895.045   43.400  907.275   41.267 -12.23004 59.88766 
1 1 1    9   36    7 o  408.867   31.107   4.3458   0.6511   4.9341   0.9468   3.8178   0.8969  435.263   42.309  382.471   45.613 52.79205 62.21418 
1 1 1    9   36    9 o  481.798   30.548   6.0369   0.7485   7.3188   1.0930   4.9050   1.0270  530.309   40.088  433.288   46.104 97.02060 61.09540 
1 1 1    9   36   11 o  435.610   33.195   4.9474   0.7406   4.7676   0.9979   5.1680   1.1051  427.070   45.448  444.149   48.395 -17.07870 66.38963 
1 1 1    9   36   13 o  430.957   39.543   5.1612   0.8084   3.5004   1.1742   6.6581   1.1147  357.043   66.410  504.871   42.945 -147.8281 79.08598 
1 1 1    9   36   15 o  1006.22   79.120   27.569   4.0931   0.0000   0.0000   27.569   4.0931  ?   ?   1006.22   79.120      ?      ? 
1 1 1    9   36   17 o  414.504   59.769   4.5794   1.2737   0.0000   0.0000   4.5794   1.2737  ?   ?   414.504   59.769      ?      ? 
1 1 1    9   36   19 o  332.963   37.857   2.9675   0.6226   3.7583   0.9182   2.2946   0.8470  377.613   47.297  288.314   59.124 89.29880 75.71395 
1 1 1    9   36   21 o  840.340   32.893   18.656   1.4195   17.655   2.0074   19.657   2.0076  817.175   47.779  863.506   45.222 -46.33075 65.78682 
1 1 1    9   36   23 o  406.833   35.321   4.4195   0.7331   5.0437   1.0385   3.7996   1.0349  436.549   46.271  377.118   53.378 59.43121 70.64175 
1 1 1    9   36   25 o  556.284   33.414   8.2207   0.9553   8.0419   1.3311   8.4107   1.3719  550.122   47.063  562.446   47.445 -12.32379 66.82754 
1 1 1    9   36   27 o  318.100   35.892   2.7041   0.5860   2.5518   0.8017   2.8789   0.8588  308.571   50.534  327.630   50.984 -19.05826 71.78477 
1 1 1    9   36   29 o  180.917   43.519   0.8807   0.4638   1.0157   0.5303   0.4413   0.9568  190.946   52.419  170.888   69.482 20.05765 87.03729 
1 1 1    9   36   31 o  403.171   40.036   4.3448   0.8009   4.8130   1.3438   4.0869   0.9974  416.963   62.684  389.378   49.823 27.58469 80.07221 
1 1 1    9   36   33 o  554.543   43.791   8.8021   1.1635   7.7521   1.9628   9.3709   1.4447  519.637   73.471  589.448   47.672 -69.81116 87.58163 
1 1 1    9   36   35 o  903.523   38.451   22.248   1.7049   21.656   2.1094   23.362   2.8950  895.203   45.833  911.843   61.752 -16.64063 76.90269 
1 1 1    9   36   37 f  559.582   35.771   8.7941   0.9995   10.719   1.3872   6.7156   1.4414  629.883   42.837  489.281   57.299 140.6025 71.54187 
1 1 1    9   36   39 o  300.147   36.007   2.5344   0.5443   2.6158   0.7729   2.4543   0.7667  307.495   48.887  292.799   52.879 14.69617 72.01459 
1 1 1    9   36   41 o  228.360   47.973   1.5661   0.7450   2.7553   0.9882   0.0000   1.1340  300.031   65.866  156.689   69.767 143.3421 95.94608 
1 1 1    9   36   43 o  305.225   37.754   2.7119   0.5769   2.3678   0.7982   3.0883   0.8347  280.698   57.247  329.752   49.237 -49.05341 75.50809 
1 1 1    9   37    0 o  619.218   58.022   10.691   1.7230   11.762   2.3699   9.4900   2.5096  658.693   72.186  579.742   90.858 -0.000000 0.000000 
1 1 1    9   37    2 o  213.186   38.887   1.2005   0.4704   1.9751   0.6740   0.4648   0.6569  270.409   50.335  155.962   59.290 114.4467 77.77490 
1 1 1    9   37    4 o  854.383   32.959   18.975   1.4355   18.264   1.8954   19.933   2.1983  836.472   44.073  872.295   49.018 -35.82361 65.91797 
1 1 1    9   37    6 o  933.675   30.217   22.853   1.4432   20.845   2.0789   24.722   2.0050  893.041   45.279  974.310   40.026 -81.26892 60.43365 
1 1 1    9   37    8 o  532.078   30.913   7.3603   0.8393   8.7018   1.2309   6.1942   1.1475  577.612   41.448  486.544   45.874 91.06873 61.82536 
1 1 1    9   37   10 o  419.980   31.402   4.6583   0.6712   4.1457   0.9828   5.1063   0.9188  397.491   48.093  442.469   40.391 -44.97861 62.80436 
1 1 1    9   37   12 o  611.394   49.244   9.7769   1.4520   9.2785   1.7530   10.867   2.5919  591.502   57.643  631.286   79.857 -39.78412 98.48811 
1 1 1    9   37   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   37   16 o  1255.02   37.476   41.297   2.3878   39.059   3.1063   44.529   3.7333  1216.20   49.679  1293.84   56.123 -77.64148 74.95177 
1 1 1    9   37   18 o  835.114   34.143   18.513   1.4586   16.825   2.0941   20.103   2.0328  796.594   51.132  873.635   45.259 -77.04071 68.28513 
1 1 1    9   37   20 o  195.148   38.602   1.0559   0.4054   0.8839   0.6043   1.1966   0.5468  182.122   57.611  208.173   51.394 -26.05000 77.20352 
1 1 1    9   37   22 o  220.151   38.756   1.3589   0.4424   1.6373   0.6151   1.0606   0.6368  243.723   50.741  196.579   58.596 47.14316 77.51201 
1 1 1    9   37   24 o  702.557   33.695   13.201   1.2085   14.871   1.7040   11.511   1.7143  749.148   44.242  655.966   50.833 93.18121 67.38942 
1 1 1    9   37   26 o  827.397   33.255   18.322   1.4089   19.891   1.9759   16.699   2.0096  865.180   44.420  789.614   49.501 75.56635 66.50976 
1 1 1    9   37   28 f  724.174   43.044   13.174   1.4380   11.766   1.6625   17.358   2.8656  662.167   48.835  786.181   70.896 -124.0137 86.08743 
1 1 1    9   37   30 o  412.618   42.456   4.2329   0.8160   7.5857   1.4078   2.5365   1.0014  529.284   51.736  295.952   67.332 233.3322 84.91262 
1 1 1    9   37   32 o  238.574   45.451   1.6844   0.6319   0.6643   0.9435   2.5142   0.8510  179.275   70.280  297.873   57.653 -118.5974 90.90195 
1 1 1    9   37   34 o  506.006   33.933   6.9150   0.8801   6.3228   1.1932   7.6218   1.3034  482.312   48.117  529.700   47.860 -47.38812 67.86630 
1 1 1    9   37   36 o  239.464   41.480   1.5930   0.5075   1.1569   0.6540   2.2529   0.8045  199.931   59.334  278.997   57.982 -79.06604 82.96063 
1 1 1    9   37   38 o  824.917   33.967   18.830   1.4361   19.529   1.9831   18.058   2.0825  843.751   45.716  806.082   50.249 37.66919 67.93336 
1 1 1    9   37   40 o  178.440   48.426   0.6795   0.6694   1.3776   0.9532   0.0000   0.9403  211.918   72.616  144.961   64.088 66.95702 96.85178 
1 1 1    9   37   42 o  166.267   39.787   0.7813   0.4121   0.5689   0.5788   0.9996   0.5868  149.657   55.921  182.877   56.610 -33.21973 79.57316 
1 1 1    9   38    1 o  298.231   41.095   2.4044   0.6148   3.0068   0.8861   1.8453   0.8536  338.155   50.967  258.306   64.479 79.84872 82.19035 
1 1 1    9   38    3 o  871.550   37.703   20.291   1.6550   15.790   2.3495   24.725   2.3317  771.767   59.212  971.332   46.692 -199.5657 75.40685 
1 1 1    9   38    5 o  1613.82   32.813   68.327   2.6972   68.750   3.5866   67.777   4.0921  1621.76   43.016  1605.88   49.563 15.87732 65.62692 
1 1 1    9   38    7 o  975.949   35.988   25.842   1.7047   22.527   2.8216   27.748   2.1392  920.829   59.600  1031.07   40.355 -110.2404 71.97689 
1 1 1    9   38    9 o  551.378   37.794   8.0736   1.0586   7.7555   1.6069   8.3176   1.4072  540.448   57.831  562.308   48.675 -21.85980 75.58886 
1 1 1    9   38   11 o  286.930   64.957   2.2897   0.9359   2.2897   0.9359   0.0000   0.0000  286.930   64.957  ?   ?       ?      ? 
1 1 1    9   38   13 o  329.009   42.011   2.8922   0.6922   2.5248   0.9197   3.3725   1.0514  302.245   61.280  355.772   57.484 -53.52750 84.02184 
1 1 1    9   38   15 o  411.533   35.836   4.4753   0.7573   4.7738   1.1010   4.2073   1.0432  424.582   50.437  398.484   50.922 26.09802 71.67197 
1 1 1    9   38   17 o  853.062   34.722   19.475   1.5051   16.581   2.1668   22.173   2.0922  788.860   53.425  917.263   44.365 -128.4039 69.44392 
1 1 1    9   38   19 o  221.296   39.488   1.3620   0.4490   1.3778   0.6475   1.3472   0.6233  222.449   56.505  220.143   55.175 2.305481 78.97561 
1 1 1    9   38   21 o  522.966   34.852   7.3109   0.9321   8.1350   1.3170   6.4837   1.3195  553.692   46.264  492.239   52.138 61.45364 69.70442 
1 1 1    9   38   23 o  676.203   33.416   12.186   1.1613   11.901   1.6488   12.466   1.6359  667.973   48.012  684.434   46.490 -16.46161 66.83128 
1 1 1    9   38   25 f  581.023   34.610   9.0983   1.0196   7.3764   1.4330   10.863   1.4509  522.804   53.314  639.242   44.147 -116.4376 69.21971 
1 1 1    9   38   27 o  573.546   53.706   10.073   1.2749   10.822   1.4907   8.0314   2.4601  636.544   45.551  510.547   97.274 125.9972 107.4111 
1 1 1    9   38   29 o  831.342   40.303   19.304   1.6510   17.426   2.6611   20.479   2.1052  789.492   65.561  873.193   46.893 -83.70105 80.60541 
1 1 1    9   38   31 o  120.538   34.872   0.1350   0.3387   0.3484   0.5441   0.0000   0.4328  136.844   53.446  104.233   44.809 32.61131 69.74457 
1 1 1    9   38   33 o  300.684   37.967   2.5439   0.5662   3.1235   0.8093   1.9881   0.7925  339.493   46.368  261.875   60.133 77.61862 75.93395 
1 1 1    9   38   35 o  178.705   39.154   0.8924   0.3928   0.8275   0.5141   0.9832   0.6087  171.649   52.964  185.762   57.680 -14.11311 78.30850 
1 1 1    9   38   37 o  493.834   34.730   6.7088   0.8784   6.0624   1.1853   7.4960   1.3082  467.509   49.313  520.159   48.917 -52.65048 69.46011 
1 1 1    9   38   39 o  181.351   38.796   0.9161   0.4708   1.5979   0.6218   0.0000   0.7208  233.472   53.014  129.230   56.657 104.2424 77.59202 
1 1 1    9   38   41 o  123.910   34.287   0.3054   0.3169   0.3991   0.4710   0.2279   0.4284  131.731   50.175  116.089   46.741 15.64191 68.57307 
1 1 1    9   39    0 o  417.131   90.386   5.1937   1.6995   0.0000   0.0000   5.1937   1.6995  417.131   90.386  417.131   90.386 0.000000 0.000000 
1 1 1    9   39    2 o  311.685   54.526   2.6811   0.8842   3.6646   1.3219   1.8850   1.1894  362.144   73.512  261.225   80.551 100.9195 109.0525 
1 1 1    9   39    4 o  1057.64   51.213   30.426   2.7566   29.167   4.1464   31.422   3.6902  1033.65   78.024  1081.64   66.359 -47.98682 102.4269 
1 1 1    9   39    6 f  794.069   42.945   16.864   1.7289   17.032   2.2734   16.635   2.6625  801.317   55.183  786.822   65.818 14.49518 85.89050 
1 1 1    9   39    8 o  1282.97   55.597   43.731   3.6672   43.731   3.6672   0.0000   0.0000  1282.97   55.597  ?   ?       ?      ? 
1 1 1    9   39   10 o  1006.29   51.767   26.823   2.6782   26.823   2.6782   0.0000   0.0000  1006.29   51.767  ?   ?       ?      ? 
1 1 1    9   39   12 o  518.271   33.386   6.8488   0.8735   8.4829   1.4062   5.8221   1.1146  566.594   48.273  469.949   46.133 96.64493 66.77203 
1 1 1    9   39   14 o  128.477   32.950   0.3098   0.3020   0.0000   0.4340   0.6003   0.4204  105.439   45.086  151.515   48.064 -46.07680 65.90099 
1 1 1    9   39   16 o  455.776   36.015   5.5176   0.8429   5.8954   1.2217   5.1743   1.1645  470.777   50.477  440.775   51.385 30.00232 72.02983 
1 1 1    9   39   18 o  224.040   41.087   1.3834   0.4741   1.5761   0.7259   1.2401   0.6260  237.035   59.619  211.045   56.552 25.98909 82.17417 
1 1 1    9   39   20 o  495.970   34.912   6.5717   0.8891   6.2203   1.2592   6.9211   1.2556  482.202   50.794  509.739   47.910 -27.53711 69.82353 
1 1 1    9   39   22 o  960.520   33.769   24.646   1.6651   23.069   2.3482   26.240   2.3616  928.518   49.190  992.521   46.280 -64.00360 67.53895 
1 1 1    9   39   24 o  145.610   37.333   0.4679   0.3647   0.6598   0.5349   0.3011   0.4986  160.394   54.401  130.826   51.143 29.56808 74.66641 
1 1 1    9   39   26 o  497.808   45.991   6.0219   1.0328   5.1874   1.1738   8.8813   2.1729  437.887   52.141  557.729   75.777 -119.8416 91.98273 
1 1 1    9   39   28 o  270.535   43.914   2.1879   0.6051   1.5440   0.9784   2.5867   0.7699  231.341   73.322  309.730   48.351 -78.38898 87.82897 
1 1 1    9   39   30 o  294.514   51.137   2.4181   0.7698   3.6225   1.2478   1.6782   0.9780  350.440   71.675  238.588   72.957 111.8523 102.2746 
1 1 1    9   39   32 o  208.109   39.362   1.2406   0.4284   1.1918   0.5828   1.2980   0.6318  203.979   54.526  212.239   56.785 -8.260574 78.72499 
1 1 1    9   39   34 o  242.086   53.102   1.6762   0.6350   1.6027   0.7110   1.9659   1.4121  233.786   59.115  250.387   88.231 -16.60036 106.2041 
1 1 1    9   39   36 o  429.634   37.109   5.3098   0.7902   6.4523   1.0826   4.0071   1.1561  486.179   43.313  373.089   60.269 113.0896 74.21848 
1 1 1    9   39   38 o  519.403   35.600   7.6600   0.9403   8.5019   1.2984   6.7316   1.3635  553.742   45.608  485.065   54.674 68.67694 71.19924 
1 1 1    9   39   40 o  148.488   40.142   0.5390   0.4282   0.3535   0.6963   0.6517   0.5430  142.714   58.790  154.262   54.674 -11.54810 80.28336 
1 1 1    9   40    1 o  1189.89   51.608   38.577   3.1563   38.631   4.5146   38.525   4.4145  1189.96   73.794  1189.82   72.166 0.1403809 103.2155 
1 1 1    9   40    3 o  575.065   44.803   9.0097   1.2728   9.3816   1.6157   8.4014   2.0664  594.745   52.839  555.385   72.370 39.36023 89.60697 
1 1 1    9   40    5 o  711.620   45.067   13.119   1.4047   12.664   1.6003   14.646   2.9317  693.837   44.862  729.403   78.176 -35.56573 90.13393 
1 1 1    9   40    7 o  461.783   44.041   5.7013   0.9856   3.9791   1.3125   7.9285   1.4926  377.344   70.238  546.222   53.151 -168.8784 88.08193 
1 1 1    9   40    9 o  194.158   40.686   1.0326   0.4296   0.9406   0.7003   1.0881   0.5440  189.516   62.203  198.801   52.461 -9.284958 81.37235 
1 1 1    9   40   11 o  382.530   39.835   3.9256   0.7542   4.9141   1.1206   3.1072   1.0196  430.098   50.678  334.961   61.474 95.13708 79.66985 
1 1 1    9   40   13 o  390.960   37.153   4.0756   0.7456   4.1232   1.0879   4.0334   1.0239  392.743   53.878  389.177   51.173 3.565826 74.30636 
1 1 1    9   40   15 o  481.230   37.024   6.1956   0.9110   6.1424   1.3570   6.2393   1.2290  478.325   55.183  484.135   49.377 -5.810364 74.04883 
1 1 1    9   40   17 o  596.156   35.069   9.4795   1.0744   9.6588   1.5455   9.3117   1.4947  601.438   49.982  590.875   49.204 10.56384 70.13744 
1 1 1    9   40   19 o  150.772   34.462   0.5710   0.3448   0.0000   0.5562   0.9274   0.4394  118.313   50.825  183.231   46.554 -64.91789 68.92355 
1 1 1    9   40   21 o  525.302   36.273   7.5360   0.9464   5.3461   1.3275   9.7992   1.3495  443.046   58.278  607.559   43.203 -164.5126 72.54533 
1 1 1    9   40   23 o  252.636   40.697   1.7905   0.5141   1.9254   0.7763   1.6852   0.6860  260.643   59.272  244.630   55.784 16.01300 81.39460 
1 1 1    9   40   25 o  1116.75   45.794   33.468   2.3315   32.017   2.7108   37.589   4.5698  1091.00   48.329  1142.49   77.799 -51.49634 91.58826 
1 1 1    9   40   27 o  297.052   54.972   2.4783   0.8086   0.0000   0.0000   2.4783   0.8086  ?   ?   297.052   54.972      ?      ? 
1 1 1    9   40   29 o  656.693   50.423   12.513   1.6568   11.918   2.6080   12.915   2.1452  634.403   79.960  678.982   61.453 -44.57977 100.8469 
1 1 1    9   40   31 o  669.214   34.676   12.308   1.1857   13.316   1.6427   11.213   1.7133  700.667   45.601  637.762   52.252 62.90515 69.35187 
1 1 1    9   40   33 o  564.257   34.762   8.7705   1.0059   7.9988   1.4061   9.5794   1.4396  537.489   50.885  591.025   47.375 -53.53662 69.52490 
1 1 1    9   40   35 o  332.624   37.688   3.1117   0.6425   3.0632   0.8725   3.1691   0.9496  330.871   51.288  334.376   55.237 -3.504761 75.37667 
1 1 1    9   40   37 o  215.737   42.693   1.4112   0.4904   1.4290   0.6544   1.3885   0.7406  218.282   57.510  213.192   63.115 5.090012 85.38692 
1 1 1    9   40   39 o  249.550   57.345   2.0688   0.8195   1.7679   1.0288   2.5915   1.3557  230.636   75.379  268.465   86.439 -37.82924 114.6897 
1 1 1    9   41    0 o  264.389  108.688   2.6468   1.4610   0.0000   0.0000   2.6468   1.4610  264.389  108.688  264.389  108.688 -0.000000 0.000000 
1 1 1    9   41    2 o  539.417   60.079   8.2820   1.6035   9.8403   2.2861   6.7729   2.2498  598.101   74.346  480.733   94.396 117.3683 120.1575 
1 1 1    9   41    4 o  729.807   56.375   14.746   2.1004   12.561   2.8810   17.224   3.0688  669.538   83.696  790.076   75.548 -120.5375 112.7498 
1 1 1    9   41    6 o  626.968   51.174   10.881   1.6309   10.086   2.4326   11.530   2.1980  602.402   78.546  651.534   65.617 -49.13245 102.3477 
1 1 1    9   41    8 o  192.215   41.191   0.9251   0.4631   1.4927   0.7019   0.4874   0.6164  231.245   58.881  153.185   57.617 78.05989 82.38125 
1 1 1    9   41   10 o  458.544   38.312   5.5793   0.8947   6.7483   1.3279   4.6073   1.2108  503.087   51.338  414.001   56.884 89.08600 76.62489 
1 1 1    9   41   12 o  230.598   53.450   1.2400   0.6415   1.0034   0.7305   2.0382   1.3414  194.074   63.523  267.121   85.980 -73.04622 106.9006 
1 1 1    9   41   14 o  1195.82   31.929   37.671   1.9533   35.509   2.6103   40.422   2.9446  1158.15   43.839  1233.50   46.433 -75.34326 63.85778 
1 1 1    9   41   16 o  542.590   36.502   7.8921   1.0147   7.9688   1.5010   7.8275   1.3771  544.105   53.659  541.074   49.502 3.031433 73.00491 
1 1 1    9   41   18 o  514.278   35.873   7.0760   0.9443   8.0519   1.3756   6.2064   1.2985  548.523   48.780  480.033   52.613 68.49033 71.74634 
1 1 1    9   41   20 o  711.474   34.987   13.632   1.2747   12.416   1.8161   14.813   1.7894  678.485   52.064  744.462   46.752 -65.97711 69.97439 
1 1 1    9   41   22 o  1084.14   34.407   31.710   1.9040   27.496   2.6909   35.936   2.6944  1008.46   51.901  1159.81   45.186 -151.3572 68.81493 
1 1 1    9   41   24 o  303.387   52.637   2.8526   0.8061   3.1907   0.9687   2.0912   1.4538  341.784   55.128  264.991   89.685 76.79276 105.2739 
1 1 1    9   41   26 o  430.915   51.884   5.0604   1.1495   0.0000   0.0000   5.0604   1.1495  ?   ?   430.915   51.884      ?      ? 
1 1 1    9   41   28 o  538.388   40.342   8.1470   1.0749   8.4853   1.3709   7.6069   1.7321  559.100   47.690  517.675   65.080 41.42548 80.68357 
1 1 1    9   41   30 o  940.367   35.049   24.461   1.6742   28.007   2.3389   20.735   2.3974  1016.33   44.762  864.400   53.946 151.9339 70.09839 
1 1 1    9   41   32 o  724.983   34.504   14.495   1.2852   14.494   1.7858   14.495   1.8510  725.914   47.850  724.052   49.725 1.862000 69.00868 
1 1 1    9   41   34 o  544.696   36.142   8.3914   0.9992   9.4228   1.3796   7.2533   1.4492  584.607   45.901  504.784   55.839 79.82233 72.28394 
1 1 1    9   41   36 o  125.926   35.451   0.2804   0.3453   0.1746   0.4700   0.4043   0.5088  116.698   48.210  135.155   51.988 -18.45706 70.90125 
1 1 1    9   41   38 o  298.953   53.405   3.2720   0.9238   4.2498   1.1640   1.6088   1.5183  377.014   60.054  220.892   88.328 156.1220 106.8100 
1 1 1    9   42    1 o  218.190   74.699   1.2542   1.0086   0.0000   0.0000   1.2542   1.0086  ?   ?   218.190   74.699      ?      ? 
1 1 1    9   42    3 o  184.488   46.901   0.6857   0.5749   1.3040   0.9212   0.2912   0.7357  219.088   71.315  149.888   60.933 69.20049 93.80111 
1 1 1    9   42    5 o  527.714   51.964   7.7342   1.3989   7.5556   2.0938   7.8783   1.8800  519.567   78.384  535.862   68.241 -16.29480 103.9273 
1 1 1    9   42    7 o  577.352   37.763   8.8993   1.1098   10.688   1.6213   7.3225   1.5222  633.291   49.797  521.414   56.783 111.8771 75.52508 
1 1 1    9   42    9 o  662.280   31.097   11.626   1.0565   11.271   1.5300   11.950   1.4607  651.850   45.654  672.709   42.235 -20.85956 62.19376 
1 1 1    9   42   11 o  876.345   30.754   20.310   1.3845   20.907   2.0069   19.768   1.9126  888.351   43.941  864.339   43.039 24.01215 61.50713 
1 1 1    9   42   13 o  311.703   34.489   2.6173   0.5345   3.1487   0.7826   2.1526   0.7318  344.480   44.189  278.926   52.967 65.55420 68.97890 
1 1 1    9   42   15 o  643.196   33.057   11.082   1.0832   11.442   1.4537   10.633   1.6243  656.746   43.053  629.647   50.175 27.09906 66.11443 
1 1 1    9   42   17 o  257.560   41.805   1.8194   0.5430   2.4432   0.8370   1.3659   0.7136  295.427   57.172  219.693   61.008 75.73399 83.60936 
1 1 1    9   42   19 o  715.412   35.153   13.783   1.2913   13.457   1.8584   14.086   1.7956  706.294   51.179  724.529   48.205 -18.23450 70.30637 
1 1 1    9   42   21 o   98.312   29.405   0.0426   0.2508   0.0685   0.3179   0.0000   0.4079   95.049   39.490  101.575   43.578 -6.525352 58.80927 
1 1 1    9   42   23 o  238.759   50.089   1.6372   0.6142   1.6400   0.7167   1.6294   1.1916  239.454   58.678  238.064   81.195 1.389954 100.1782 
1 1 1    9   42   25 o  591.734   63.145   9.8359   1.9210   0.0000   0.0000   9.8359   1.9210  ?   ?   591.734   63.145      ?      ? 
1 1 1    9   42   27 o  395.056   48.763   5.0647   0.8953   6.9393   1.1821   2.5420   1.3713  506.388   45.404  283.725   86.312 222.6628 97.52611 
1 1 1    9   42   29 o  181.848   41.179   0.9300   0.4375   0.8157   0.6196   1.0438   0.6180  172.918   58.549  190.778   57.920 -17.85962 82.35722 
1 1 1    9   42   31 o  840.076   34.515   19.500   1.4904   18.972   2.0925   20.043   2.1234  828.136   49.147  852.016   48.474 -23.88019 69.03056 
1 1 1    9   42   33 f  203.188   39.104   1.2022   0.4236   0.9565   0.5788   1.4856   0.6215  181.478   56.232  224.898   54.354 -43.41991 78.20787 
1 1 1    9   42   35 o  395.884   38.926   4.5530   0.7446   3.2413   1.0233   6.0288   1.0854  326.352   63.272  465.416   45.362 -139.0640 77.85285 
1 1 1    9   42   37 o  251.464   47.756   2.2094   0.8122   3.5537   1.0301   0.0000   1.3206  340.803   61.033  162.124   73.469 178.6786 95.51240 
1 1 1    9   43    0 o   77.596   50.145   0.0000   0.4682   0.0000   0.0000   0.0000   0.4682   77.596   50.145   77.596   50.145 0.000000 0.000000 
1 1 1    9   43    2 o  560.821   55.813   9.6456   1.3729   7.0531   2.3774   10.943   1.6816  482.110   99.221  639.532   51.143 -157.4216 111.6264 
1 1 1    9   43    4 o  674.631   47.096   12.411   1.5152   12.802   2.7059   12.232   1.8289  674.064   78.080  675.198   52.685 -1.133728 94.19213 
1 1 1    9   43    6 o  217.701   43.324   1.3085   0.5146   1.6957   0.7502   0.9643   0.7072  245.231   59.996  190.170   62.516 55.06084 86.64764 
1 1 1    9   43    8 o  521.424   34.896   7.1429   0.9262   5.9675   1.2278   8.6950   1.4109  471.993   50.597  570.856   48.072 -98.86304 69.79245 
1 1 1    9   43   10 o  477.182   35.732   6.0024   0.8589   4.5270   1.1441   7.9080   1.3002  409.553   54.334  544.810   46.421 -135.2573 71.46335 
1 1 1    9   43   12 o  658.033   33.788   11.501   1.1383   10.810   1.5266   12.367   1.7082  636.498   46.650  679.567   48.892 -43.06897 67.57660 
1 1 1    9   43   14 o  282.073   38.014   2.2074   0.5303   2.1125   0.7252   2.3164   0.7775  275.665   53.095  288.481   54.418 -12.81586 76.02848 
1 1 1    9   43   16 o  483.416   34.054   6.3205   0.8378   6.7913   1.1385   5.7643   1.2375  504.943   43.855  461.890   52.111 43.05301 68.10899 
1 1 1    9   43   18 o  753.034   36.237   15.425   1.3909   13.373   1.9841   17.407   1.9504  700.615   55.082  805.453   47.100 -104.8376 72.47357 
1 1 1    9   43   20 o  249.399   41.980   1.7877   0.5335   1.5048   0.7639   2.0571   0.7453  228.743   62.969  270.055   55.535 -41.31242 83.95909 
1 1 1    9   43   22 o  1020.96   86.338   31.275   4.5319   0.0000   0.0000   31.275   4.5319  ?   ?   1020.96   86.338      ?      ? 
1 1 1    9   43   24 o  441.798   62.928   5.5013   1.4294   0.0000   0.0000   5.5013   1.4294  ?   ?   441.798   62.928      ?      ? 
1 1 1    9   43   26 o  246.933   46.089   1.8915   0.6030   1.3214   0.9940   2.2235   0.7586  214.644   74.121  279.222   54.798 -64.57828 92.17790 
1 1 1    9   43   28 o  362.843   41.433   3.8166   0.7230   2.5076   1.0028   5.2333   1.0433  288.109   68.674  437.577   46.375 -149.4684 82.86581 
1 1 1    9   43   30 o  236.003   42.726   1.6622   0.5221   1.8056   0.7298   1.5119   0.7472  247.361   58.335  224.645   62.441 22.71526 85.45113 
1 1 1    9   43   32 o  322.622   37.299   2.9684   0.6049   2.7405   0.8359   3.2190   0.8765  306.712   55.033  338.532   50.360 -31.81989 74.59712 
1 1 1    9   43   34 o  539.180   37.046   8.3293   1.0243   8.4584   1.4091   8.1847   1.4916  545.854   50.211  532.507   54.483 13.34680 74.09156 
1 1 1    9   44    1 o  598.439   39.353   9.6951   1.2099   9.4281   1.7258   9.9532   1.6967  589.640   56.929  607.239   54.348 -17.59894 78.70567 
1 1 1    9   44    3 o  971.805   38.381   25.578   1.9103   23.987   2.7597   27.042   2.6471  940.216   57.091  1003.39   51.312 -63.17853 76.76122 
1 1 1    9   44    5 o  291.767   43.070   2.3893   0.6246   2.6724   0.9166   2.1438   0.8535  308.538   59.941  274.996   61.866 33.54163 86.14082 
1 1 1    9   44    7 o  169.620   38.701   0.6642   0.4202   1.2400   0.6184   0.1703   0.5728  210.173   56.160  129.068   53.264 81.10487 77.40147 
1 1 1    9   44    9 o  683.149   36.034   12.282   1.2242   13.639   2.0451   11.525   1.5283  708.664   56.133  657.636   45.200 51.02789 72.06888 
1 1 1    9   44   11 o  163.758   39.352   0.6894   0.4181   0.2273   0.6908   0.9565   0.5251  141.952   58.526  185.564   52.622 -43.61127 78.70404 
1 1 1    9   44   13 o  480.367   40.261   6.5070   0.9185   5.6610   1.5737   6.9442   1.1312  449.912   68.034  510.823   43.072 -60.91174 80.52237 
1 1 1    9   44   15 o  261.244   42.086   1.9386   0.5526   1.8164   0.7653   2.0717   0.7987  252.391   59.883  270.097   59.152 -17.70663 84.17194 
1 1 1    9   44   17 o  387.790   44.626   4.3120   0.8470   4.8419   1.1382   3.6544   1.2680  422.113   52.449  353.468   72.215 68.64456 89.25140 
1 1 1    9   44   19 o  694.506   39.839   13.115   1.4086   12.230   1.8453   14.349   2.1806  668.881   53.661  720.130   58.898 -51.24908 79.67726 
1 1 1    9   44   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   44   23 o  190.192   42.119   1.0409   0.4822   1.3571   0.6194   0.5544   0.7682  217.379   55.295  163.005   63.549 54.37334 84.23836 
1 1 1    9   44   25 o  533.310   36.576   7.8582   1.0021   7.4975   1.4115   8.2248   1.4230  520.208   52.777  546.412   50.653 -26.20355 73.15128 
1 1 1    9   44   27 o  232.920   41.426   1.5886   0.5351   0.7723   0.7486   2.4409   0.7650  173.406   63.828  292.434   52.825 -119.0282 82.85229 
1 1 1    9   44   29 o  383.810   39.161   4.1756   0.7723   4.3642   1.1140   4.0012   1.0715  392.230   55.245  375.390   55.519 16.83990 78.32196 
1 1 1    9   44   31 o  441.763   36.908   5.5287   0.8378   5.3227   1.1638   5.7503   1.2071  433.182   52.257  450.344   52.134 -17.16147 73.81581 
1 1 1    9   44   33 o  597.899   37.060   10.262   1.1388   9.9953   1.5842   10.548   1.6381  590.085   52.217  605.713   52.603 -15.62811 74.11976 
1 1 1    9   45    0 o  1127.93   55.272   34.767   3.1586   31.270   4.3080   38.833   4.6449  1064.71   79.729  1191.16   76.573 -0.000000 0.000000 
1 1 1    9   45    2 f  651.191   38.436   11.496   1.2857   11.052   1.8258   11.932   1.8109  637.904   55.671  664.478   53.008 -26.57434 76.87100 
1 1 1    9   45    4 o  184.574   42.587   0.9195   0.4633   0.8558   0.7062   0.9677   0.6138  181.602   62.491  187.545   57.874 -5.943512 85.17306 
1 1 1    9   45    6 o  458.045   38.972   5.6857   0.9163   5.9229   1.3425   5.4787   1.2538  466.590   55.965  449.500   54.252 17.08984 77.94437 
1 1 1    9   45    8 f  551.579   31.908   8.0997   0.9034   8.7482   1.3155   7.5209   1.2428  572.613   44.684  530.545   45.562 42.06830 63.81679 
1 1 1    9   45   10 o  322.500   36.796   2.8844   0.5828   2.2240   0.8229   3.5487   0.8254  280.265   58.979  364.735   44.014 -84.47058 73.59181 
1 1 1    9   45   12 o  218.314   49.268   1.0901   0.5116   1.9202   1.2059   0.9080   0.5649  255.287   81.454  181.341   55.448 73.94598 98.53545 
1 1 1    9   45   14 o  179.552   44.953   0.7450   0.4325   0.9722   1.0055   0.6934   0.4791  198.474   73.798  160.630   51.353 37.84424 89.90643 
1 1 1    9   45   16 o  453.300   54.932   6.1228   1.0689   5.8370   2.0991   6.2229   1.2419  427.813   97.593  478.787   50.452 -50.97394 109.8631 
1 1 1    9   45   18 o  561.096   55.213   9.4665   1.3104   8.8086   2.5641   9.6991   1.5245  524.890   98.637  597.303   49.643 -72.41345 110.4251 
1 1 1    9   45   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   45   22 o  295.395   53.418   2.9862   0.9228   0.9854   1.6286   3.9322   1.1199  216.417   89.602  374.372   58.186 -157.9547 106.8364 
1 1 1    9   45   24 f  388.649   48.221   4.6509   0.8810   5.1981   1.1147   3.7406   1.4378  434.069   49.950  343.229   82.499 90.83920 96.44236 
1 1 1    9   45   26 o  399.694   47.532   4.9457   0.8980   5.6879   1.1613   3.8420   1.4161  452.641   49.902  346.748   80.913 105.8931 95.06412 
1 1 1    9   45   28 o  219.847   43.577   1.4516   0.5687   2.2189   0.7861   0.6090   0.8238  274.215   57.590  165.479   65.415 108.7357 87.15369 
1 1 1    9   45   30 o  489.643   42.487   6.9559   1.0525   6.5692   1.3594   7.5345   1.6628  477.459   55.379  501.828   64.450 -24.36945 84.97438 
1 1 1    9   45   32 o  349.768   44.793   3.7707   0.7646   3.9189   0.9893   3.5509   1.2048  368.766   52.183  330.770   72.819 37.99579 89.58586 
1 1 1    9   46    1 o  208.329   46.521   1.1402   0.5737   1.7121   0.8685   0.6975   0.7642  243.388   67.198  173.270   64.354 70.11823 93.04282 
1 1 1    9   46    3 o  661.329   39.131   11.878   1.3265   13.213   1.9336   10.691   1.8232  697.251   53.940  625.407   56.704 71.84363 78.26157 
1 1 1    9   46    5 f  158.741   39.757   0.6081   0.4147   0.3893   0.5998   0.8085   0.5740  144.124   56.163  173.357   56.288 -29.23352 79.51499 
1 1 1    9   46    7 o  798.843   39.071   17.301   1.5909   20.655   2.3455   14.443   2.1650  872.513   52.287  725.172   58.071 147.3419 78.14179 
1 1 1    9   46    9 o  384.788   37.109   3.9239   0.7213   4.5714   1.1588   3.5144   0.9215  408.978   55.113  360.598   49.706 48.37988 74.21737 
1 1 1    9   46   11 o  421.397   45.061   5.5018   0.8531   3.2472   1.3318   7.0707   1.1110  327.987   79.750  514.807   41.975 -186.8206 90.12218 
1 1 1    9   46   13 o  950.057   31.462   24.250   1.5336   23.876   2.2303   24.586   2.1121  941.642   46.069  958.472   42.862 -16.82977 62.92437 
1 1 1    9   46   15 o  578.610   37.939   9.2070   1.0638   9.1150   1.8247   9.2544   1.3093  570.060   62.259  587.160   43.374 -17.09973 75.87788 
1 1 1    9   46   17 o  688.384   61.309   13.323   2.1698   13.323   2.1698   0.0000   0.0000  688.384   61.309  ?   ?       ?      ? 
1 1 1    9   46   19 o  131.679   57.242   0.0000   0.7223   0.0000   0.7223   0.0000   0.0000  131.679   57.242  ?   ?       ?      ? 
1 1 1    9   46   21 o  262.313   51.604   2.2397   0.7085   1.5310   1.3808   2.4930   0.8255  230.240   86.307  294.386   56.596 -64.14612 103.2083 
1 1 1    9   46   23 o  481.284   49.569   6.0807   1.0866   8.7512   2.2324   5.2515   1.2439  531.100   81.756  431.470   56.076 99.63013 99.13898 
1 1 1    9   46   25 f  257.196   51.437   2.2700   0.7645   1.0385   1.3849   2.8099   0.9169  205.707   83.610  308.685   59.938 -102.9781 102.8747 
1 1 1    9   46   27 o  341.801   57.262   4.0974   0.9552   3.0934   1.8252   4.4761   1.1210  288.037  100.387  395.566   55.119 -107.5295 114.5240 
1 1 1    9   46   29 o  190.129   48.175   1.0929   0.5848   0.5176   1.2264   1.2622   0.6653  176.513   75.639  203.745   59.682 -27.23132 96.34948 
1 1 1    9   46   31 o  427.591   47.172   5.7604   0.9810   6.1777   1.2916   5.1916   1.5080  459.395   54.685  395.786   76.879 63.60910 94.34408 
1 1 1    9   47    0 o  715.987   89.904   14.827   3.1679   0.0000   0.0000   14.827   3.1679  715.987   89.904  715.987   89.904 -0.000000 0.000000 
1 1 1    9   47    2 o  346.879   54.052   3.7175   0.9013   3.0014   1.5969   4.0524   1.0919  309.028   92.947  384.731   55.203 -75.70325 108.1041 
1 1 1    9   47    4 o  564.814   49.750   9.1937   1.3242   8.6896   2.3430   9.4303   1.6052  541.548   84.151  588.080   53.091 -46.53137 99.49908 
1 1 1    9   47    6 o  211.904   44.879   1.3493   0.6128   0.0000   1.0873   1.9773   0.7418  159.847   69.845  263.961   56.374 -104.1133 89.75723 
1 1 1    9   47    8 o  676.136   38.579   12.509   1.3395   13.155   1.9526   11.935   1.8409  692.351   54.856  659.920   54.259 32.43152 77.15724 
1 1 1    9   47   10 o  524.240   35.911   7.3592   0.9469   8.1072   1.5312   6.8961   1.2050  542.976   54.852  505.504   46.364 37.47134 71.82180 
1 1 1    9   47   12 o  390.658   55.326   4.9323   0.8794   3.8826   1.9162   5.2124   0.9898  341.053  101.644  440.263   43.729 -99.21027 110.6516 
1 1 1    9   47   14 o  648.079   45.656   11.930   1.5206   11.778   2.1161   12.093   2.1866  644.477   63.864  651.681   65.264 -7.204895 91.31271 
1 1 1    9   47   16 o  227.991   63.205   1.5280   0.7666   1.5280   0.7666   0.0000   0.0000  227.991   63.205  ?   ?       ?      ? 
1 1 1    9   47   18 o  293.983   53.556   2.5230   0.7412   3.0162   1.4589   2.3514   0.8605  304.394   88.151  283.572   60.848 20.82245 107.1122 
1 1 1    9   47   20 o  892.039   37.352   22.307   1.7007   19.946   2.4443   24.523   2.3677  840.954   56.535  943.124   48.830 -102.1696 74.70352 
1 1 1    9   47   22 o  274.898   42.631   2.2576   0.6109   1.3821   0.8641   3.1325   0.8638  214.233   69.012  335.562   50.068 -121.3287 85.26101 
1 1 1    9   47   24 f  231.225   41.755   1.5822   0.5158   1.0340   0.7094   2.1969   0.7513  188.340   62.647  274.109   55.221 -85.76898 83.50996 
1 1 1    9   47   26 o  373.088   40.148   4.0280   0.7699   4.1136   1.1020   3.9464   1.0762  376.891   56.870  369.286   56.686 7.604828 80.29570 
1 1 1    9   47   28 o  364.609   54.712   3.4888   0.9010   7.0091   1.8590   2.4080   1.0300  457.749   82.002  271.469   72.451 186.2802 109.4239 
1 1 1    9   48    1 o  872.811   50.986   21.493   2.1297   20.664   2.5691   23.314   3.8081  863.351   57.879  882.271   83.953 -18.92010 101.9712 
1 1 1    9   48    3 o  546.409   59.871   9.3066   1.4239   9.7608   1.6923   8.2056   2.6347  595.099   55.313  497.718  106.200 97.38086 119.7413 
1 1 1    9   48    5 o  166.747   44.789   0.4595   0.4946   0.1994   0.5838   1.1206   0.9308  130.504   53.804  202.990   71.620 -72.48598 89.57855 
1 1 1    9   48    7 o  387.579   66.254   4.8409   1.3057   5.0398   1.7950   4.6175   1.9029  399.819   89.549  375.339   97.670 24.48010 132.5080 
1 1 1    9   48    9 o  328.097   60.498   3.1431   0.9586   2.7494   1.1350   4.1221   1.7900  301.701   73.787  354.493   95.893 -52.79193 120.9958 
1 1 1    9   48   11 o  610.848   55.135   10.957   1.6871   11.849   2.7386   10.412   2.1417  621.943   85.647  599.752   69.457 22.19122 110.2707 
1 1 1    9   48   13 o  420.029   58.545   4.9593   1.2643   4.9593   1.2643   0.0000   0.0000  420.029   58.545  ?   ?       ?      ? 
1 1 1    9   48   15 o  241.135   49.492   1.9309   0.7722   2.7293   0.9180   0.0000   1.4276  306.132   60.474  176.138   78.364 129.9942 98.98478 
1 1 1    9   48   17 o  683.085   35.239   12.459   1.2162   15.824   1.9388   10.276   1.5617  756.515   49.847  609.655   49.824 146.8597 70.47775 
1 1 1    9   48   19 o  283.549   41.648   2.2366   0.6410   4.2147   0.9857   0.7871   0.8438  389.912   49.170  177.185   67.234 212.7275 83.29543 
1 1 1    9   48   21 f  356.623   47.544   3.7058   0.8130   4.4836   1.3701   3.2831   1.0101  380.495   72.690  332.750   61.302 47.74524 95.08793 
1 1 1    9   48   23 o  239.390   46.445   1.7566   0.5759   1.8349   0.9466   1.7105   0.7256  240.532   71.384  238.248   59.437 2.284409 92.88963 
1 1 1    9   48   25 f  387.107   50.609   4.8934   0.9187   4.0257   1.5305   5.3822   1.1487  339.832   87.173  434.382   51.438 -94.54974 101.2177 
1 1 1    9   48   27 o  206.600   50.191   1.3282   0.6167   1.4658   1.0921   1.2638   0.7472  212.143   77.242  201.058   64.111 11.08441 100.3816 
1 1 1    9   49    0 o  470.240   94.654   6.8473   2.0283   6.8473   2.0283   0.0000   0.0000  470.240   94.654  470.240   94.654 -0.000000 0.000000 
1 1 1    9   49    2 o  418.647   60.910   5.5834   1.2822   4.2185   1.8819   6.7658   1.7516  354.621   99.286  482.672   70.586 -128.0509 121.8201 
1 1 1    9   49    4 f  292.297   57.309   2.7384   0.9352   1.7785   1.4057   3.5006   1.2526  243.956   87.808  340.638   73.669 -96.68263 114.6181 
1 1 1    9   49    6 f  413.384   60.140   5.2577   1.2306   6.4459   1.8733   4.3556   1.6322  456.797   82.815  369.970   87.230 86.82693 120.2808 
1 1 1    9   49    8 o  454.081   94.785   6.7258   2.1413   6.7258   2.1413   0.0000   0.0000  454.081   94.785  ?   ?       ?      ? 
1 1 1    9   49   10 o  495.152   48.207   6.7186   1.2272   6.7186   1.2272   0.0000   0.0000  495.152   48.207  ?   ?       ?      ? 
1 1 1    9   49   12 o  501.931   46.232   7.4099   1.1648   8.2725   1.5663   6.3427   1.7422  542.565   56.151  461.298   73.461 81.26624 92.46305 
1 1 1    9   49   14 o  174.979   41.038   0.8250   0.4921   1.3272   0.6242   0.0000   0.8000  213.139   56.170  136.818   59.844 76.32182 82.07529 
1 1 1    9   49   16 o  352.919   45.718   3.6590   0.7792   3.6053   0.9777   3.7524   1.2902  358.372   53.065  347.466   74.461 10.90582 91.43542 
1 1 1    9   49   18 o  497.228   45.811   7.3141   1.1413   7.4760   1.4781   7.0750   1.7958  511.949   56.159  482.507   72.392 29.44208 91.62143 
1 1 1    9   49   20 o  237.929   52.984   1.8753   0.7144   2.0600   0.8294   1.3444   1.4063  260.193   62.736  215.665   85.401 44.52859 105.9679 
1 1 1    9   49   22 o  553.254   60.404   9.7550   1.4139   9.3963   1.6274   10.859   2.8553  570.168   55.515  536.339  107.296 33.82953 120.8074 
1 1 1    9   49   24 o  192.107   49.797   1.0027   0.5567   0.9080   0.6263   1.3593   1.2156  175.516   58.868  208.698   80.334 -33.18181 99.59454 
1 1 1    9   50    1 o  809.953   40.657   18.484   1.6903   17.363   2.3893   19.608   2.3916  783.036   59.350  836.870   55.584 -53.83411 81.31409 
1 1 1    9   50    3 o  205.305   43.027   1.0528   0.5508   2.1128   0.8357   0.2385   0.7325  267.626   61.961  142.984   59.716 124.6428 86.05340 
1 1 1    9   50    5 o  609.656   40.423   10.469   1.2655   10.603   1.8385   10.347   1.7446  612.201   58.413  607.112   55.892 5.088806 80.84523 
1 1 1    9   50    7 o  410.133   57.757   5.3760   1.1076   5.6232   1.3465   4.8585   1.9481  445.077   58.843  375.188   99.403 69.88901 115.5138 
1 1 1    9   50    9 o  420.335   62.488   6.0354   1.1848   6.4323   1.3865   4.9612   2.2811  477.163   56.517  363.507  111.466 113.6559 124.9751 
1 1 1    9   50   11 o  655.940   39.186   12.474   1.2649   10.595   1.9912   13.745   1.6378  603.298   64.195  708.582   44.956 -105.2839 78.37168 
1 1 1    9   50   13 o  924.013   32.297   23.405   1.5316   25.275   2.2377   21.758   2.1009  958.989   45.385  889.038   45.963 69.95038 64.59403 
1 1 1    9   50   15 o  318.663   41.909   2.9229   0.6511   3.4223   1.0385   2.5994   0.8358  339.290   61.809  298.037   56.614 41.25354 83.81776 
1 1 1    9   50   17 o  272.121   43.238   2.1102   0.5852   3.0230   0.9495   1.5510   0.7432  318.525   60.185  225.717   62.094 92.80798 86.47508 
1 1 1    9   50   19 o  265.603   42.783   2.0502   0.5621   2.6669   0.9114   1.6716   0.7141  296.393   61.808  234.814   59.173 61.57957 85.56676 
1 1 1    9   50   21 o  175.459   38.021   0.8425   0.4079   0.3561   0.5568   1.4059   0.5992  134.230   53.552  216.687   53.988 -82.45755 76.04263 
1 1 1    9   51    0 o  438.630   78.783   6.7095   1.5276   5.6540   2.2849   7.5627   2.0542  381.216  129.956  496.045   89.097 0.000000 0.000000 
1 1 1    9   51    2 o  713.996   52.376   14.763   1.7879   13.650   2.1410   17.328   3.2499  689.364   60.409  738.628   85.579 -49.26404 104.7522 
1 1 1    9   51    4 o  750.669   54.643   16.646   1.9445   15.610   2.3213   19.084   3.5600  735.497   61.389  765.840   90.416 -30.34253 109.2865 
1 1 1    9   51    6 o  208.476   47.216   0.8620   0.5803   0.2376   0.6854   2.4430   1.0907  138.577   57.812  278.376   74.669 -139.7990 94.43297 
1 1 1    9   51    8 o  180.561   39.375   0.8516   0.4773   0.0000   0.7004   1.5902   0.6522  128.304   56.059  232.819   55.308 -104.5148 78.75037 
1 1 1    9   51   10 f  316.671   45.186   2.9238   0.7222   4.2054   1.0977   1.9459   0.9589  384.191   55.575  249.150   71.264 135.0407 90.37257 
1 1 1    9   51   12 o  287.180   42.281   2.4965   0.6042   2.0877   0.9367   2.7878   0.7908  258.438   69.141  315.922   48.687 -57.48434 84.56286 
1 1 1    9   51   14 o  224.814   43.670   1.5926   0.5318   1.1653   0.8458   1.8718   0.6838  197.503   68.366  252.125   54.353 -54.62256 87.33914 
1 1 1    9   51   16 o  796.474   33.275   17.740   1.3608   19.024   1.9667   16.562   1.8848  825.019   46.365  767.928   47.740 57.09119 66.54993 
1 1 1    9   51   18 o  366.366   40.846   4.0423   0.7244   2.9652   1.0300   5.0966   1.0190  307.010   67.125  425.723   46.558 -118.7127 81.69104 
1 1 1    9   52    1 o  380.689   70.423   5.2176   1.3940   5.1556   2.0165   5.2743   1.9291  375.398  101.879  385.980   97.254 -10.58173 140.8466 
1 1 1    9   52    3 f  383.862   70.263   5.5019   1.4832   7.1772   2.0416   3.6294   2.1584  463.792   88.855  303.931  108.868 159.8610 140.5256 
1 1 1    9   52    5 o  347.296   55.304   4.0781   0.9373   3.2162   1.6556   4.4846   1.1370  298.909   95.447  395.683   55.893 -96.77490 110.6080 
1 1 1    9   52    7 o  238.980   43.588   1.8847   0.6839   0.0000   1.1568   2.8973   0.8479  157.751   70.336  320.208   51.504 -162.4570 87.17673 
1 1 1    9   52    9 o  342.253   53.153   3.5332   0.8560   4.4389   1.5502   3.1359   1.0267  363.714   84.510  320.792   64.490 42.92249 106.3054 
1 1 1    9   52   11 o  370.460   38.298   3.9065   0.7261   3.5027   0.9758   4.4073   1.0868  349.053   54.377  391.867   53.945 -42.81451 76.59561 
1 1 1    9   52   13 o  318.589   39.194   3.0350   0.6117   2.3643   0.8895   3.6371   0.8427  276.309   63.888  360.869   45.418 -84.55966 78.38719 
1 1 1    9   52   15 o  252.448   39.969   1.9670   0.5401   1.0415   0.7720   2.8540   0.7558  186.365   65.269  318.531   46.152 -132.1659 79.93768 
1 1 1    9   53    0 o  631.353   67.006   12.499   2.0279   11.999   2.7870   13.062   2.9562  618.182   94.174  644.523   95.344 -0.000000 0.000000 
1 1 1    9   53    2 o  233.129   48.854   1.7266   0.6286   1.8202   0.8641   1.6213   0.9161  240.488   67.260  225.771   70.873 14.71684 97.70770 
1 1 1    9   53    4 o  226.018   45.409   1.5433   0.6058   0.7206   0.8433   2.4205   0.8707  170.332   66.533  281.703   61.818 -111.3713 90.81867 
1 1 1    9   53    6 f  201.979   43.548   1.1115   0.5351   2.0071   0.8226   0.4542   0.7046  254.707   63.132  149.250   59.999 105.4566 87.09538 
1 1 1    9   53    8 o  241.323   45.981   1.8615   0.6019   1.3430   0.8834   2.3109   0.8225  206.924   69.911  275.722   59.745 -68.79813 91.96238 
1 1 1    9   53   10 o  292.218   41.980   2.7125   0.6179   3.6629   0.8430   1.6088   0.9084  361.414   45.368  223.023   70.647 138.3911 83.95982 
1 1 1    9   53   12 o  572.334   34.430   9.3438   1.0114   9.2755   1.4682   9.4056   1.3952  568.531   50.229  576.136   47.103 -7.604980 68.85905 
1 1 1    9   54    1 o  287.434   49.206   2.6754   0.7279   2.1425   1.0220   3.2242   1.0371  253.565   73.878  321.303   65.013 -67.73853 98.41117 
1 1 1    9   54    3 f  345.839   46.821   3.7088   0.8070   5.0827   1.1922   2.5473   1.0962  416.135   55.726  275.544   75.256 140.5913 93.64232 
1 1 1    9   54    5 o  217.944   46.238   1.5194   0.5657   1.2855   0.8205   1.7313   0.7810  201.721   67.381  234.167   63.339 -32.44588 92.47675 
1 1 1   10    0    0 o  302.729   84.443   2.8477   1.1371   2.8477   1.1371   0.0000   0.0000  302.729   84.443  302.729   84.443 0.000000 0.000000 
1 1 1   10    0    2 o  685.090   49.340   12.528   1.6853   13.396   2.3505   11.609   2.4177  711.716   65.512  658.463   73.797 -0.000000 0.000000 
1 1 1   10    0    4 o  584.385   46.908   9.2269   1.3411   8.4982   2.0018   9.8203   1.8064  560.017   72.949  608.753   58.990 0.000000 0.000000 
1 1 1   10    0    6 o  1220.73   39.902   38.578   2.4827   37.718   3.3523   39.623   3.6948  1206.02   54.317  1235.44   58.468 -0.000000 0.000000 
1 1 1   10    0    8 o  1707.27   38.242   75.420   3.3469   77.683   4.7025   73.097   4.7646  1733.54   52.873  1681.00   55.265 -0.000000 0.000000 
1 1 1   10    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0   12 o  831.793   54.560   18.085   2.3102   0.0000   0.0000   18.085   2.3102  831.793   54.560  831.793   54.560 -0.000000 0.000000 
1 1 1   10    0   14 o  1258.25   54.436   41.132   3.5065   0.0000   0.0000   41.132   3.5065  1258.25   54.436  1258.25   54.436 -0.000000 0.000000 
1 1 1   10    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0   18 f  920.147   56.415   22.117   2.6459   22.117   2.6459   0.0000   0.0000  920.147   56.415  920.147   56.415 -0.000000 0.000000 
1 1 1   10    0   20 o  2930.41   55.653  221.795   8.3779  221.795   8.3779   0.0000   0.0000  2930.41   55.653  2930.41   55.653 -0.000000 0.000000 
1 1 1   10    0   22 o  1040.13   55.885   28.135   2.9688   0.0000   0.0000   28.135   2.9688  1040.13   55.885  1040.13   55.885 -0.000000 0.000000 
1 1 1   10    0   24 o  2342.62   39.576  141.745   4.7595  139.888   6.7634  143.567   6.6990  2327.27   56.602  2357.97   55.328 -0.000000 0.000000 
1 1 1   10    0   26 o  1866.87   39.776   90.112   3.8096   90.344   5.3590   89.876   5.4167  1869.37   55.872  1864.36   56.629 0.000000 0.000000 
1 1 1   10    0   28 o  2911.67   39.933  218.886   5.9721  215.275   8.3747  222.621   8.5187  2887.22   56.467  2936.11   56.480 0.000000 0.000000 
1 1 1   10    0   30 f  1613.45   40.307   67.421   3.3336   66.192   4.6718   68.697   4.7584  1598.41   57.014  1628.48   56.992 0.000000 0.000000 
1 1 1   10    0   32 o  328.718   72.170   3.1640   1.0676   0.0000   0.0000   3.1640   1.0676  328.718   72.170  328.718   72.170 -0.000000 0.000000 
1 1 1   10    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0   36 o  514.196   62.038   7.1487   1.5767   0.0000   0.0000   7.1487   1.5767  514.196   62.038  514.196   62.038 -0.000000 0.000000 
1 1 1   10    0   38 o  1251.09   58.068   40.929   3.7167   0.0000   0.0000   40.929   3.7167  1251.09   58.068  1251.09   58.068 -0.000000 0.000000 
1 1 1   10    0   40 o  770.055   59.229   15.724   2.3130   0.0000   0.0000   15.724   2.3130  770.055   59.229  770.055   59.229 -0.000000 0.000000 
1 1 1   10    0   42 o  665.172   60.338   11.856   2.0244   11.856   2.0244   0.0000   0.0000  665.172   60.338  665.172   60.338 0.000000 0.000000 
1 1 1   10    0   44 o  121.502   66.775   0.5472   0.6019   0.5472   0.6019   0.0000   0.0000  121.502   66.775  121.502   66.775 0.000000 0.000000 
1 1 1   10    0   46 o  131.825   59.833   0.6626   0.4382   0.6626   0.4382   0.0000   0.0000  131.825   59.833  131.825   59.833 0.000000 0.000000 
1 1 1   10    0   48 o  227.840   60.058   1.6150   0.6078   0.0000   0.0000   1.6150   0.6078  227.840   60.058  227.840   60.058 -0.000000 0.000000 
1 1 1   10    0   50 o  127.873   57.768   0.6257   0.4083   0.0000   0.0000   0.6257   0.4083  127.873   57.768  127.873   57.768 -0.000000 0.000000 
1 1 1   10    0   52 o  125.227   66.076   0.6194   0.5673   0.6194   0.5673   0.0000   0.0000  125.227   66.076  125.227   66.076 0.000000 0.000000 
1 1 1   10    0   54 o  324.237   79.773   3.3364   1.1515   3.3364   1.1515   0.0000   0.0000  324.237   79.773  324.237   79.773 0.000000 0.000000 
1 1 1   10    0   56 o  113.113   56.383   0.5113   0.3985   0.5113   0.3985   0.0000   0.0000  113.113   56.383  113.113   56.383 0.000000 0.000000 
1 1 1   10    0   58 o  519.334   46.729   7.4261   1.2245   0.0000   0.0000   7.4261   1.2245  519.334   46.729  519.334   46.729 -0.000000 0.000000 
1 1 1   10    1    1 o  1524.03   47.798   60.211   3.7428   57.864   5.3000   62.546   5.2864  1494.13   68.995  1553.92   66.170 -59.78479 95.59656 
1 1 1   10    1    3 o  594.821   32.328   9.1405   0.9873   8.7364   1.4097   9.5297   1.3833  581.828   47.126  607.813   44.267 -25.98425 64.65631 
1 1 1   10    1    5 o  2295.83   38.270  137.814   4.1150  140.182   4.9201  132.301   7.5066  2331.64   41.044  2260.02   64.605 71.61157 76.53979 
1 1 1   10    1    7 o  2579.53   34.175  170.544   4.1937  168.490   5.0365  175.187   7.5730  2556.54   38.318  2602.51   56.598 -45.97095 68.34952 
1 1 1   10    1    9 o  566.128   38.151   8.2957   1.1054   7.2985   1.5442   9.3436   1.5830  531.039   56.560  601.217   51.214 -70.17792 76.30144 
1 1 1   10    1   11 o  1764.86   54.193   80.652   4.9173   80.652   4.9173   0.0000   0.0000  1764.86   54.193  ?   ?       ?      ? 
1 1 1   10    1   13 o  1576.65   33.096   63.818   2.5328   65.920   4.4064   62.781   3.0953  1594.16   53.763  1559.14   38.614 35.02197 66.19286 
1 1 1   10    1   15 o  1317.75   38.588   44.882   2.6143   0.0000   0.0000   44.882   2.6143  ?   ?   1317.75   38.588      ?      ? 
1 1 1   10    1   17 o  643.677   38.861   10.707   1.2860   0.0000   0.0000   10.707   1.2860  ?   ?   643.677   38.861      ?      ? 
1 1 1   10    1   19 o  641.048   39.649   10.722   1.2950   12.326   1.8277   9.1053   1.8350  689.920   51.528  592.177   60.274 97.74304 79.29726 
1 1 1   10    1   21 o  1214.71   39.337   38.172   2.4565   37.597   3.4549   38.760   3.4934  1205.44   55.746  1223.98   55.514 -18.53271 78.67304 
1 1 1   10    1   23 o  2904.17   55.950  218.082   8.3540  218.082   8.3540   0.0000   0.0000  2904.17   55.950  ?   ?       ?      ? 
1 1 1   10    1   25 o  703.132   35.882   13.223   1.1979   14.066   1.4667   11.535   2.0760  738.695   38.621  667.570   60.487 71.12585 71.76479 
1 1 1   10    1   27 o  111.312   28.145   0.2682   0.2040   0.3072   0.2967   0.2331   0.2809  115.942   40.473  106.682   39.121 9.259834 56.29002 
1 1 1   10    1   29 o  1328.66   34.198   45.179   2.2181   44.231   2.7238   47.046   3.8217  1309.24   40.466  1348.08   55.141 -38.84229 68.39606 
1 1 1   10    1   31 o  1284.33   34.370   42.220   2.1534   41.274   2.6416   44.094   3.7178  1264.33   40.638  1304.33   55.440 -40.00049 68.73935 
1 1 1   10    1   33 o  869.008   40.504   19.613   1.8081   20.712   2.5790   18.550   2.5357  893.131   56.166  844.885   58.376 48.24609 81.00813 
1 1 1   10    1   35 o  1022.90   57.417   27.282   3.0196   0.0000   0.0000   27.282   3.0196  ?   ?   1022.90   57.417      ?      ? 
1 1 1   10    1   37 o  629.386   41.352   10.391   1.3351   11.244   1.8979   9.5546   1.8786  655.426   56.323  603.346   60.562 52.08002 82.70416 
1 1 1   10    1   39 o  451.402   42.249   5.3710   0.9795   5.7133   1.4013   5.0440   1.3696  465.689   58.529  437.116   60.945 28.57272 84.49798 
1 1 1   10    1   41 o  778.858   35.895   15.814   1.3597   15.511   1.6652   16.421   2.3553  770.570   42.031  787.146   58.199 -16.57568 71.78965 
1 1 1   10    1   43 o  399.047   36.664   4.1924   0.7177   4.1299   0.8884   4.3099   1.2175  396.539   43.577  401.556   58.975 -5.016876 73.32774 
1 1 1   10    1   45 o  232.634   43.563   1.4752   0.5604   2.2307   0.8150   0.7976   0.7718  283.369   57.897  181.900   65.107 101.4691 87.12608 
1 1 1   10    1   47 f  232.935   34.244   1.5666   0.4149   0.6778   0.6000   2.3804   0.5742  165.000   57.555  300.870   37.120 -135.8698 68.48738 
1 1 1   10    1   49 o  708.138   30.624   13.369   1.1071   15.386   1.5862   11.452   1.5460  761.835   40.496  654.440   45.949 107.3947 61.24772 
1 1 1   10    1   51 o  135.050   37.179   0.2677   0.3826   0.6071   0.5762   0.0000   0.5117  157.208   56.255  112.893   48.627 44.31479 74.35825 
1 1 1   10    1   53 o  687.763   38.794   13.033   1.2875   12.829   1.5706   13.451   2.2482  688.518   44.369  687.008   63.650 1.510376 77.58817 
1 1 1   10    1   55 o  378.452   32.597   3.9387   0.6333   4.1917   0.8982   3.6886   0.8930  391.307   44.644  365.597   47.511 25.71045 65.19476 
1 1 1   10    1   57 o  454.636   33.287   5.8285   0.7613   7.1840   1.0846   4.5121   1.0688  511.507   41.241  397.764   52.263 113.7433 66.57499 
1 1 1   10    2    0 o  1491.31   67.089   57.740   5.1201   57.740   5.1201   0.0000   0.0000  1491.31   67.089  1491.31   67.089 0.000000 0.000000 
1 1 1   10    2    2 o  1802.81   40.846   83.059   3.5650   81.188   4.3388   86.947   6.2545  1773.62   47.582  1832.00   66.405 -58.37488 81.69241 
1 1 1   10    2    4 o  1428.37   66.413   52.864   4.8771   0.0000   0.0000   52.864   4.8771  ?   ?   1428.37   66.413      ?      ? 
1 1 1   10    2    6 o  565.098   42.043   8.3150   1.2102   8.7110   1.6294   7.8279   1.8074  580.489   54.598  549.706   63.951 30.78314 84.08672 
1 1 1   10    2    8 o  951.403   39.056   23.341   1.9104   0.0000   0.0000   23.341   1.9104  ?   ?   951.403   39.056      ?      ? 
1 1 1   10    2   10 f  727.531   38.194   13.697   1.4286   13.516   2.0126   13.880   2.0281  722.677   54.168  732.386   53.861 -9.709778 76.38847 
1 1 1   10    2   12 o  1258.02   32.406   39.833   1.9951   44.436   3.4694   37.558   2.4387  1309.91   51.516  1206.14   39.328 103.7699 64.81152 
1 1 1   10    2   14 o  1565.04   27.264   63.316   2.1924   60.777   3.1001   65.856   3.1008  1533.48   39.322  1596.60   37.776 -63.11914 54.52715 
1 1 1   10    2   16 o  1019.87   27.365   26.891   1.4345   27.667   2.0294   26.116   2.0278  1034.66   38.150  1005.08   39.243 29.58057 54.73093 
1 1 1   10    2   18 o  239.012   29.131   1.5037   0.3491   1.3732   0.4957   1.6321   0.4916  226.611   44.134  251.413   38.035 -24.80237 58.26207 
1 1 1   10    2   20 o  679.082   33.711   11.853   1.1135   12.115   1.9244   11.722   1.3653  684.112   54.714  674.053   39.398 10.05945 67.42233 
1 1 1   10    2   22 o  1528.66   39.516   60.420   3.1052   59.276   4.3526   61.606   4.4313  1513.91   55.922  1543.40   55.845 -29.48914 79.03129 
1 1 1   10    2   24 o  1635.48   56.536   69.166   4.7538   0.0000   0.0000   69.166   4.7538  ?   ?   1635.48   56.536      ?      ? 
1 1 1   10    2   26 f  930.888   39.810   22.345   1.9053   22.345   1.9053   0.0000   0.0000  930.888   39.810  ?   ?       ?      ? 
1 1 1   10    2   28 o  1875.90   39.904   90.775   3.8486   90.775   3.8486   0.0000   0.0000  1875.90   39.904  ?   ?       ?      ? 
1 1 1   10    2   30 o  1731.90   40.101   77.416   3.5706   77.416   3.5706   0.0000   0.0000  1731.90   40.101  ?   ?       ?      ? 
1 1 1   10    2   32 f  637.775   34.667   10.346   1.0811   9.9536   1.3252   11.128   1.8693  620.648   41.531  654.902   55.519 -34.25403 69.33363 
1 1 1   10    2   34 o  1011.03   58.239   26.611   3.0272   26.611   3.0272   0.0000   0.0000  1011.03   58.239  ?   ?       ?      ? 
1 1 1   10    2   36 o  1233.16   34.456   38.556   2.0865   36.345   2.5608   42.922   3.5987  1183.77   42.076  1282.55   54.575 -98.77734 68.91212 
1 1 1   10    2   38 o  1037.52   35.414   27.927   1.7854   27.530   2.1865   28.723   3.0931  1029.17   41.323  1045.88   57.523 -16.70496 70.82700 
1 1 1   10    2   40 o  612.345   36.096   9.8173   1.0756   9.7595   1.3223   9.9303   1.8494  611.748   42.041  612.943   58.687 -1.194458 72.19170 
1 1 1   10    2   42 o  885.289   42.403   20.915   1.9221   23.260   2.7406   18.644   2.6965  935.733   56.967  834.845   62.824 100.8881 84.80573 
1 1 1   10    2   44 o  241.410   65.800   1.6334   0.8390   1.6334   0.8390   0.0000   0.0000  241.410   65.800  ?   ?       ?      ? 
1 1 1   10    2   46 o  598.797   35.858   9.0053   1.0598   7.6466   1.2959   11.749   1.8416  536.336   46.998  661.258   54.171 -124.9219 71.71662 
1 1 1   10    2   48 o  125.127   32.825   0.3368   0.2669   0.3588   0.3193   0.2857   0.4861  121.539   42.011  128.715   50.449 -7.176201 65.65070 
1 1 1   10    2   50 o  300.015   34.839   2.5133   0.5088   1.8169   0.7231   3.1965   0.7162  253.094   56.947  346.935   40.151 -93.84100 69.67805 
1 1 1   10    2   52 o  222.662   40.499   1.4582   0.4595   1.2422   0.7658   1.5797   0.5744  208.006   64.718  237.318   48.706 -29.31178 80.99798 
1 1 1   10    2   54 o  522.827   39.858   7.6896   1.0173   7.6624   1.7184   7.7043   1.2623  514.762   64.930  530.892   46.246 -16.13068 79.71581 
1 1 1   10    2   56 o  384.377   33.637   4.1103   0.6578   4.8552   0.9472   3.4162   0.9143  420.241   43.841  348.513   51.028 71.72861 67.27469 
1 1 1   10    2   58 o  162.796   35.623   0.7512   0.3359   0.5297   0.4588   1.0070   0.4931  141.244   50.235  184.347   50.522 -43.10225 71.24648 
1 1 1   10    3    1 o  279.341   70.256   2.1020   1.0080   2.1020   1.0080   0.0000   0.0000  279.341   70.256  ?   ?       ?      ? 
1 1 1   10    3    3 o  1882.28   38.972   91.878   3.4692   90.792   6.2696   92.358   4.1649  1872.20   65.135  1892.35   42.809 -20.15222 77.94362 
1 1 1   10    3    5 o  1589.46   41.062   65.148   3.3555   0.0000   0.0000   65.148   3.3555  ?   ?   1589.46   41.062      ?      ? 
1 1 1   10    3    7 o  1058.96   53.890   28.993   2.9340   0.0000   0.0000   28.993   2.9340  ?   ?   1058.96   53.890      ?      ? 
1 1 1   10    3    9 o  1906.14   38.137   93.979   3.7371   92.670   5.2427   95.331   5.3284  1892.66   53.878  1919.61   53.990 -26.95105 76.27416 
1 1 1   10    3   11 o  497.178   32.351   6.2122   0.7877   5.8417   0.9632   6.9602   1.3688  475.760   39.380  518.595   51.338 -42.83453 64.70284 
1 1 1   10    3   13 o  715.713   33.999   13.496   1.1678   12.608   2.0233   13.940   1.4301  696.724   56.483  734.702   37.859 -37.97839 67.99768 
1 1 1   10    3   15 o  886.680   27.334   20.327   1.2455   21.065   1.7637   19.593   1.7591  902.820   37.997  870.541   39.304 32.27924 54.66777 
1 1 1   10    3   17 o  1190.62   27.455   36.640   1.6798   38.011   2.3771   35.272   2.3740  1213.00   38.116  1168.25   39.525 44.74927 54.91010 
1 1 1   10    3   19 o  1504.45   27.671   58.465   2.1366   54.283   3.0113   62.705   3.0319  1450.04   40.393  1558.87   37.830 -108.8352 55.34172 
1 1 1   10    3   21 o  1392.36   33.073   48.480   2.2601   55.291   3.9215   45.093   2.7656  1462.51   52.154  1322.20   40.684 140.3145 66.14504 
1 1 1   10    3   23 o  2398.04   39.292  148.696   4.8437  146.860   6.8738  150.506   6.8264  2383.21   56.101  2412.87   55.029 -29.66479 78.58405 
1 1 1   10    3   25 o  2099.89   39.511  114.029   4.2653  112.886   6.0476  115.160   6.0165  2089.32   56.300  2110.45   55.450 -21.12427 79.02106 
1 1 1   10    3   27 o  273.720   41.532   2.0230   0.5959   3.1005   0.8482   0.9728   0.8373  346.479   47.614  200.961   68.064 145.5181 83.06480 
1 1 1   10    3   29 o  573.731   57.166   8.5267   1.6862   8.5267   1.6862   0.0000   0.0000  573.731   57.166  ?   ?       ?      ? 
1 1 1   10    3   31 o  3563.26   40.233  327.831   7.3705  327.831   7.3705   0.0000   0.0000  3563.26   40.233  ?   ?       ?      ? 
1 1 1   10    3   33 o  892.593   57.299   20.700   2.6295   20.700   2.6295   0.0000   0.0000  892.593   57.299  ?   ?       ?      ? 
1 1 1   10    3   35 o  738.930   34.916   14.007   1.2618   13.618   1.5506   14.771   2.1709  725.062   41.596  752.798   56.091 -27.73627 69.83128 
1 1 1   10    3   37 o  601.684   31.177   8.5522   0.8658   7.5994   0.9991   11.425   1.7349  541.686   35.874  661.682   51.000 -119.9955 62.35319 
1 1 1   10    3   39 o  397.932   32.913   3.9163   0.6010   3.6712   0.6966   4.6302   1.1889  376.117   36.024  419.747   55.093 -43.63031 65.82525 
1 1 1   10    3   41 o  608.867   35.597   9.5999   1.0589   9.2721   1.2987   10.250   1.8290  595.631   42.409  622.103   57.184 -26.47174 71.19382 
1 1 1   10    3   43 o  543.690   42.874   7.7603   1.1984   7.7603   1.1984   0.0000   0.0000  543.690   42.874  ?   ?       ?      ? 
1 1 1   10    3   45 o  240.998   46.091   1.6140   0.5866   1.9431   0.8721   1.3420   0.7928  262.253   65.009  219.742   65.354 42.51051 92.18121 
1 1 1   10    3   47 o  324.353   43.399   3.2766   0.6500   3.9815   0.8060   1.9654   1.0992  388.275   40.377  260.430   76.834 127.8445 86.79713 
1 1 1   10    3   49 o  515.388   39.447   7.4013   0.9650   7.7244   1.1789   6.7453   1.6800  538.899   42.552  491.878   66.434 47.02097 78.89353 
1 1 1   10    3   51 o  812.655   44.222   18.474   1.8450   17.378   2.6038   19.578   2.6147  786.473   64.394  838.836   60.628 -52.36340 88.44415 
1 1 1   10    3   53 o  219.567   42.213   1.4121   0.4677   1.4535   0.5605   1.3174   0.8486  226.523   49.514  212.610   68.383 13.91260 84.42642 
1 1 1   10    3   55 o  453.839   32.136   5.6619   0.7477   6.1315   1.0577   5.1931   1.0570  473.938   43.409  433.740   47.399 40.19781 64.27245 
1 1 1   10    3   57 o  291.783   35.762   2.4399   0.5243   2.2654   0.7345   2.6211   0.7487  277.963   53.337  305.604   47.652 -27.64111 71.52308 
1 1 1   10    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    4    2 o  2764.81   44.319  197.202   6.2998   0.0000   0.0000  197.202   6.2998  ?   ?   2764.81   44.319      ?      ? 
1 1 1   10    4    4 o  587.749   37.369   9.1778   1.0450   8.2386   1.8195   9.6401   1.2766  564.056   62.743  611.442   40.609 -47.38605 74.73833 
1 1 1   10    4    6 o  1340.76   33.127   46.310   2.1716   46.092   2.6814   46.726   3.7018  1337.05   39.008  1344.47   53.555 -7.413818 66.25460 
1 1 1   10    4    8 o  698.479   27.733   12.590   0.9943   12.730   1.3727   12.436   1.4423  702.625   38.000  694.332   40.404 8.292786 55.46606 
1 1 1   10    4   10 o  1102.65   27.259   31.364   1.5449   31.186   2.1585   31.550   2.2121  1099.49   38.186  1105.80   38.911 -6.316284 54.51761 
1 1 1   10    4   12 f  907.624   33.993   21.845   1.4767   22.854   1.8110   19.843   2.5511  940.893   37.437  874.355   56.751 66.53809 67.98644 
1 1 1   10    4   14 o  1161.15   27.239   34.847   1.6259   34.189   2.2974   35.506   2.3013  1150.12   38.853  1172.17   38.186 -22.05798 54.47729 
1 1 1   10    4   16 o  846.887   27.501   18.538   1.1974   18.349   1.6928   18.727   1.6939  842.543   39.080  851.231   38.705 -8.688171 55.00297 
1 1 1   10    4   18 o  1671.68   33.395   72.049   2.7207   71.486   3.3457   73.147   4.6749  1663.81   39.112  1679.55   54.139 -15.73596 66.78921 
1 1 1   10    4   20 o  493.957   39.245   6.3212   0.9957   6.0595   1.4168   6.5767   1.3996  483.755   56.965  504.159   53.996 -20.40414 78.48988 
1 1 1   10    4   22 o  1702.50   39.397   74.731   3.4484   74.731   3.4484   0.0000   0.0000  1702.50   39.397  ?   ?       ?      ? 
1 1 1   10    4   24 o  490.119   39.922   6.2314   1.0024   5.7078   1.4307   6.7363   1.4049  469.685   59.247  510.552   53.523 -40.86670 79.84340 
1 1 1   10    4   26 o  2349.18   34.670  144.311   3.9349  147.922   4.8368  137.245   6.7665  2395.16   39.278  2303.19   57.143 91.96851 69.34040 
1 1 1   10    4   28 o  733.422   39.962   13.923   1.5066   14.285   2.1437   13.571   2.1179  742.857   56.129  723.987   56.898 18.87036 79.92439 
1 1 1   10    4   30 o  1647.97   34.434   69.762   2.7683   68.758   3.4022   71.727   4.7619  1632.07   40.547  1663.88   55.666 -31.80750 68.86801 
1 1 1   10    4   32 o  602.751   57.675   9.4341   1.7873   9.4341   1.7873   0.0000   0.0000  602.751   57.675  ?   ?       ?      ? 
1 1 1   10    4   34 o  778.367   33.319   15.641   1.3334   15.641   1.3334   0.0000   0.0000  778.367   33.319  ?   ?       ?      ? 
1 1 1   10    4   36 o  851.833   33.356   18.761   1.4608   18.761   1.4608   0.0000   0.0000  851.833   33.356  ?   ?       ?      ? 
1 1 1   10    4   38 o  781.025   33.725   15.799   1.3542   15.799   1.3542   0.0000   0.0000  781.025   33.725  ?   ?       ?      ? 
1 1 1   10    4   40 o  229.962   37.260   1.6783   0.4148   2.0178   0.4826   0.7183   0.8115  278.848   33.659  181.076   66.484 97.77138 74.51920 
1 1 1   10    4   42 f  1178.96   41.906   37.047   2.5400   36.888   3.6032   37.204   3.5810  1176.21   59.584  1181.71   58.942 -5.492676 83.81199 
1 1 1   10    4   44 f  708.823   42.403   13.217   1.5453   13.217   1.5453   0.0000   0.0000  708.823   42.403  ?   ?       ?      ? 
1 1 1   10    4   46 o  444.474   42.367   5.7951   0.8401   6.4977   1.0314   4.4105   1.4479  496.466   40.410  392.482   74.478 103.9847 84.73446 
1 1 1   10    4   48 o  403.524   38.422   4.4357   0.7506   4.4953   0.9242   4.3200   1.2863  411.138   43.724  395.910   63.193 15.22864 76.84496 
1 1 1   10    4   50 o  552.639   37.491   8.2749   1.0094   8.2030   1.2439   8.4136   1.7275  554.036   43.668  551.243   60.953 2.792786 74.98123 
1 1 1   10    4   52 o  300.623   47.099   2.6514   0.7320   3.4315   1.0376   1.8787   1.0327  351.287   57.453  249.958   74.648 101.3294 94.19744 
1 1 1   10    4   54 o  387.976   47.091   4.7883   0.8290   3.3353   1.3859   5.5979   1.0345  322.502   83.073  453.450   44.375 -130.9479 94.18242 
1 1 1   10    4   56 o  401.279   40.558   4.4710   0.7951   5.2023   1.3902   4.1155   0.9692  419.047   64.526  383.511   49.156 35.53583 81.11655 
1 1 1   10    4   58 o  365.742   34.318   3.7905   0.6366   3.0512   0.8724   4.6326   0.9310  324.935   52.219  406.549   44.542 -81.61362 68.63570 
1 1 1   10    5    1 o  1462.83   64.633   55.432   4.8609   0.0000   0.0000   55.432   4.8609  ?   ?   1462.83   64.633      ?      ? 
1 1 1   10    5    3 o  1528.71   42.135   60.631   3.2449   59.674   5.1065   61.280   4.2025  1517.52   65.451  1539.90   53.082 -22.38086 84.27091 
1 1 1   10    5    5 o  1788.20   33.759   82.841   2.9630   83.506   3.6869   81.627   4.9790  1799.56   39.850  1776.83   54.504 22.73828 67.51805 
1 1 1   10    5    7 o  1466.79   28.281   55.458   2.1304   54.814   2.9377   56.174   3.0940  1457.90   39.193  1475.68   40.782 -17.77917 56.56170 
1 1 1   10    5    9 o  304.675   27.744   2.3904   0.4342   2.2664   0.5997   2.5270   0.6294  296.384   39.359  312.966   39.114 -16.58209 55.48893 
1 1 1   10    5   11 o  644.003   27.477   10.722   0.9084   11.141   1.2679   10.281   1.3021  657.013   37.535  630.993   40.138 26.02051 54.95404 
1 1 1   10    5   13 o  362.566   38.882   3.4150   0.7246   3.3140   1.0227   3.5169   1.0267  357.131   55.702  368.001   54.265 -10.86996 77.76475 
1 1 1   10    5   15 o  1910.50   33.845   96.277   3.1202   99.694   3.8433   89.670   5.3441  1964.06   38.061  1856.95   55.977 107.1075 67.69066 
1 1 1   10    5   17 o  1297.97   33.698   43.959   2.1236   44.671   2.6173   42.588   3.6331  1315.07   38.711  1280.87   55.170 34.19446 67.39655 
1 1 1   10    5   19 o  1060.40   33.081   28.535   1.7194   27.390   2.1124   30.783   2.9600  1030.22   39.881  1090.58   52.791 -60.36060 66.16186 
1 1 1   10    5   21 o  1723.76   39.192   76.616   3.4733   76.616   3.4733   0.0000   0.0000  1723.76   39.192  ?   ?       ?      ? 
1 1 1   10    5   23 f  1501.39   33.769   57.850   2.4709   57.133   3.0347   59.260   4.2560  1488.65   39.651  1514.13   54.673 -25.48267 67.53753 
1 1 1   10    5   25 o  2304.63   34.710  139.469   3.8677  144.312   4.7709  130.183   6.6061  2365.89   39.222  2243.37   57.277 122.5190 69.41901 
1 1 1   10    5   27 o  574.589   31.507   8.1850   0.8242   7.8225   0.9538   9.2542   1.6381  550.975   33.670  598.203   53.264 -47.22803 63.01332 
1 1 1   10    5   29 f  990.879   32.919   25.677   1.4543   25.996   1.6864   24.754   2.8727  1004.32   32.661  977.443   57.165 26.87189 65.83746 
1 1 1   10    5   31 o  1186.69   35.478   37.174   2.0293   38.645   2.4996   34.328   3.4755  1223.38   39.740  1150.00   58.783 73.38538 70.95602 
1 1 1   10    5   33 o  1149.60   40.536   34.162   2.3958   34.162   2.3958   0.0000   0.0000  1149.60   40.536  ?   ?       ?      ? 
1 1 1   10    5   35 o  1105.85   40.794   31.958   2.3156   29.998   3.2834   33.897   3.2661  1071.51   59.602  1140.19   55.716 -68.68066 81.58809 
1 1 1   10    5   37 o  213.833   45.376   1.2340   0.4834   1.2340   0.4834   0.0000   0.0000  213.833   45.376  ?   ?       ?      ? 
1 1 1   10    5   39 o  326.172   35.349   2.7607   0.5928   2.7607   0.5928   0.0000   0.0000  326.172   35.349  ?   ?       ?      ? 
1 1 1   10    5   41 o  347.195   35.853   3.1367   0.6400   3.1367   0.6400   0.0000   0.0000  347.195   35.853  ?   ?       ?      ? 
1 1 1   10    5   43 o  908.882   41.932   21.677   1.9594   21.677   1.9594   0.0000   0.0000  908.882   41.932  ?   ?       ?      ? 
1 1 1   10    5   45 o  640.390   43.079   11.108   1.4183   11.090   2.0126   11.126   1.9990  639.732   61.192  641.048   60.654 -1.315796 86.15889 
1 1 1   10    5   47 o  340.633   37.111   3.0438   0.6231   2.8565   0.7685   3.4031   1.0644  327.593   45.629  353.673   58.539 -26.08014 74.22133 
1 1 1   10    5   49 o  149.697   35.168   0.5782   0.3299   0.7792   0.4317   0.2960   0.5117  168.075   47.726  131.318   51.668 36.75745 70.33695 
1 1 1   10    5   51 o  229.742   46.854   1.5360   0.5835   1.5290   0.8491   1.5423   0.8032  229.134   67.505  230.351   64.995 -1.217087 93.70892 
1 1 1   10    5   53 o  475.478   45.097   6.1367   1.1024   6.1367   1.1024   0.0000   0.0000  475.478   45.097  ?   ?       ?      ? 
1 1 1   10    5   55 o  348.370   32.920   3.3497   0.5887   3.4804   0.8230   3.2129   0.8424  356.130   44.950  340.609   48.107 15.52182 65.83949 
1 1 1   10    5   57 o  155.605   36.244   0.6729   0.3396   0.8307   0.4903   0.5273   0.4709  169.001   51.652  142.208   50.860 26.79311 72.48898 
1 1 1   10    6    0 o  381.119   82.347   4.2347   1.4153   4.2347   1.4153   0.0000   0.0000  381.119   82.347  381.119   82.347 0.000000 0.000000 
1 1 1   10    6    2 o  999.596   61.812   29.023   2.2455   76.621   3.6577   0.2341   2.8446  1723.65   41.275  275.541  116.530 1448.111 123.6237 
1 1 1   10    6    4 o  912.280   38.224   20.713   1.6050   19.780   1.8692   23.333   3.1316  875.696   41.517  948.863   64.193 -73.16699 76.44860 
1 1 1   10    6    6 o  1968.98   38.107   99.769   3.4443   99.165   4.0400  101.377   6.5899  1960.78   40.076  1977.18   64.828 -16.39441 76.21494 
1 1 1   10    6    8 o  693.275   36.842   12.535   1.1793   12.669   1.3943   12.198   2.2108  700.798   38.697  685.752   62.705 15.04596 73.68480 
1 1 1   10    6   10 o  1180.11   34.705   35.848   1.9412   35.556   2.3269   36.515   3.5206  1173.72   38.560  1186.50   57.714 -12.77979 69.40983 
1 1 1   10    6   12 o  622.034   33.746   9.9363   1.0124   9.7785   1.2296   10.268   1.7837  615.219   38.874  628.850   55.172 -13.63116 67.49123 
1 1 1   10    6   14 o  1225.86   38.551   39.057   2.4296   39.325   3.4324   38.788   3.4395  1230.14   54.272  1221.59   54.765 8.552490 77.10188 
1 1 1   10    6   16 o  763.832   31.547   15.111   1.0802   15.122   1.2524   15.079   2.1345  765.652   31.817  762.013   54.484 3.638672 63.09406 
1 1 1   10    6   18 o  694.542   33.468   12.418   1.1334   12.296   1.3936   12.657   1.9477  690.167   39.274  698.918   54.204 -8.751770 66.93672 
1 1 1   10    6   20 o  656.360   55.651   11.146   1.8779   11.146   1.8779   0.0000   0.0000  656.360   55.651  ?   ?       ?      ? 
1 1 1   10    6   22 o  1252.05   33.697   40.314   2.0557   39.987   2.5267   40.954   3.5354  1245.40   39.461  1258.69   54.632 -13.29126 67.39301 
1 1 1   10    6   24 o  1578.32   39.312   64.422   3.1892   63.311   4.5328   65.512   4.4880  1564.71   56.346  1591.93   54.836 -27.21436 78.62464 
1 1 1   10    6   26 o  853.231   36.293   19.849   1.4617   21.868   1.8034   15.984   2.4954  920.964   38.088  785.498   61.791 135.4656 72.58633 
1 1 1   10    6   28 o  1627.13   33.965   67.569   2.7028   65.745   3.3213   71.144   4.6508  1596.27   40.470  1658.00   54.560 -61.73132 67.93086 
1 1 1   10    6   30 o  1450.57   31.440   52.077   2.0710   49.667   2.3920   59.292   4.1388  1387.98   33.521  1513.17   53.200 -125.1951 62.88019 
1 1 1   10    6   32 o  784.031   57.368   15.964   2.3124   15.964   2.3124   0.0000   0.0000  784.031   57.368  ?   ?       ?      ? 
1 1 1   10    6   34 o  364.897   36.427   3.6053   0.5677   3.7034   0.6581   3.3199   1.1221  378.678   33.802  351.116   64.539 27.56152 72.85457 
1 1 1   10    6   36 o  1372.23   36.152   50.278   2.3789   52.654   2.9247   45.634   4.0895  1425.04   39.919  1319.42   60.286 105.6141 72.30460 
1 1 1   10    6   38 o  283.268   40.582   2.2529   0.5438   2.4541   0.6656   1.8493   0.9429  307.105   42.158  259.431   69.358 47.67493 81.16487 
1 1 1   10    6   40 o  389.958   42.457   3.9700   0.8512   3.9700   0.8512   0.0000   0.0000  389.958   42.457  ?   ?       ?      ? 
1 1 1   10    6   42 o  170.592   56.731   0.7409   0.5818   0.7409   0.5818   0.0000   0.0000  170.592   56.731  ?   ?       ?      ? 
1 1 1   10    6   44 o  166.652   43.499   0.7586   0.3767   0.7586   0.3767   0.0000   0.0000  166.652   43.499  ?   ?       ?      ? 
1 1 1   10    6   46 o  353.269   45.108   3.9205   0.7271   4.8772   0.9102   2.2332   1.2087  429.800   41.190  276.737   80.264 153.0623 90.21621 
1 1 1   10    6   48 o  472.584   37.543   6.0098   0.8580   5.9555   1.0489   6.1197   1.4915  473.331   43.102  471.837   61.482 1.494385 75.08550 
1 1 1   10    6   50 o  339.360   38.369   2.9000   0.6332   2.4381   0.7599   3.9495   1.1454  300.378   49.206  378.343   58.886 -77.96494 76.73824 
1 1 1   10    6   52 o  230.184   68.038   1.5629   0.8612   1.5629   0.8612   0.0000   0.0000  230.184   68.038  ?   ?       ?      ? 
1 1 1   10    6   54 o  168.325   40.730   0.5999   0.4727   1.3430   0.7073   0.0000   0.6355  213.207   61.273  123.443   53.679 89.76360 81.46020 
1 1 1   10    6   56 o  402.197   39.138   4.4269   0.7809   3.8810   0.9640   5.4688   1.3317  371.236   50.507  433.159   59.800 -61.92322 78.27510 
1 1 1   10    7    1 o  668.511   42.337   11.529   1.4551   11.529   1.4551   0.0000   0.0000  668.511   42.337  ?   ?       ?      ? 
1 1 1   10    7    3 o  718.116   40.070   13.213   1.3177   13.060   1.5414   13.629   2.5399  711.498   42.137  724.734   68.167 -13.23566 80.13906 
1 1 1   10    7    5 f  965.166   38.268   24.610   1.4757   24.925   1.6410   23.276   3.3740  983.590   32.450  946.742   69.317 36.84802 76.53641 
1 1 1   10    7    7 o  749.099   35.679   14.337   1.1034   14.221   1.2331   14.803   2.4711  742.891   32.286  755.306   63.636 -12.41473 71.35800 
1 1 1   10    7    9 o  1268.29   34.632   41.840   1.8443   42.011   2.0799   41.214   3.9894  1276.69   31.688  1259.89   61.589 16.79578 69.26309 
1 1 1   10    7   11 o  623.505   33.913   9.7707   1.0121   9.2891   1.2121   10.880   1.8395  599.631   39.317  647.378   55.268 -47.74731 67.82616 
1 1 1   10    7   13 o  289.140   37.860   2.3570   0.5021   2.5993   0.6102   1.8490   0.8834  317.171   37.419  261.109   65.827 56.06198 75.71908 
1 1 1   10    7   15 o  665.343   31.711   11.457   0.9408   11.452   1.0875   11.470   1.8755  666.261   31.749  664.426   54.902 1.835388 63.42146 
1 1 1   10    7   17 o  1014.33   31.977   26.906   1.4455   27.217   1.6756   26.002   2.8586  1027.44   31.720  1001.21   55.533 26.23285 63.95378 
1 1 1   10    7   19 o  953.248   39.489   23.441   1.9353   23.441   1.9353   0.0000   0.0000  953.248   39.489  ?   ?       ?      ? 
1 1 1   10    7   21 o  1220.57   34.235   39.026   2.0174   40.159   2.4809   36.813   3.4662  1248.10   38.662  1193.04   56.510 55.06433 68.47011 
1 1 1   10    7   23 o  984.408   32.065   25.024   1.4113   25.042   1.6338   24.969   2.8013  986.055   32.227  982.761   55.443 3.293640 64.12907 
1 1 1   10    7   25 o  128.714   34.030   0.3190   0.2998   0.3228   0.4662   0.3163   0.3915  132.300   50.030  125.127   46.144 7.172279 68.06089 
1 1 1   10    7   27 o  1942.43   34.443   98.239   3.2448   99.801   3.9939   95.207   5.5652  1967.03   39.493  1917.84   56.442 49.18774 68.88676 
1 1 1   10    7   29 o  972.066   34.048   23.965   1.6223   22.954   1.9921   25.955   2.7950  942.965   41.092  1001.17   54.301 -58.20123 68.09683 
1 1 1   10    7   31 o  1066.35   56.753   29.511   3.1114   29.511   3.1114   0.0000   0.0000  1066.35   56.753  ?   ?       ?      ? 
1 1 1   10    7   33 o  1752.25   34.368   78.396   2.9430   75.833   3.6096   83.478   5.0832  1712.33   41.001  1792.17   55.168 -79.84216 68.73616 
1 1 1   10    7   35 o  310.446   43.145   2.5959   0.6716   3.2773   0.9565   1.9330   0.9433  354.685   52.452  266.207   68.519 88.47708 86.29086 
1 1 1   10    7   37 o  202.535   38.709   1.0993   0.4018   1.0802   0.5030   1.1329   0.6680  199.589   49.303  205.480   59.688 -5.891357 77.41722 
1 1 1   10    7   39 o  685.573   34.379   12.495   1.0459   12.691   1.2121   11.924   2.0695  699.516   33.702  671.631   59.932 27.88470 68.75768 
1 1 1   10    7   41 o  556.159   35.639   7.9719   0.9756   7.5572   1.2025   8.7703   1.6687  537.195   43.541  575.123   56.434 -37.92871 71.27842 
1 1 1   10    7   43 f  268.144   48.467   1.9549   0.6436   1.9549   0.6436   0.0000   0.0000  268.144   48.467  ?   ?       ?      ? 
1 1 1   10    7   45 o  598.964   61.806   9.7463   1.9033   9.7463   1.9033   0.0000   0.0000  598.964   61.806  ?   ?       ?      ? 
1 1 1   10    7   47 o  445.901   35.286   5.2217   0.8089   5.2217   0.8089   0.0000   0.0000  445.901   35.286  ?   ?       ?      ? 
1 1 1   10    7   49 o  363.098   43.862   3.5183   0.8188   3.5183   0.8188   0.0000   0.0000  363.098   43.862  ?   ?       ?      ? 
1 1 1   10    7   51 f  499.085   45.679   7.0109   1.1551   8.5789   1.6809   5.6080   1.5900  555.661   58.838  442.510   69.889 113.1514 91.35814 
1 1 1   10    7   53 o  182.309   37.800   1.0246   0.4013   1.2994   0.4735   0.3241   0.7560  215.502   44.215  149.116   61.322 66.38600 75.60040 
1 1 1   10    7   55 o  154.306   38.163   0.4939   0.3296   0.3384   0.3760   1.0104   0.6851  121.776   45.157  186.835   61.535 -65.05926 76.32611 
1 1 1   10    7   57 o  305.161   41.037   2.5519   0.6131   1.8625   0.7591   3.8458   1.0399  246.578   60.364  363.744   55.608 -117.1665 82.07340 
1 1 1   10    8    0 o  157.224   60.418   0.8672   0.4621   0.8672   0.4621   0.0000   0.0000  157.224   60.418  157.224   60.418 0.000000 0.000000 
1 1 1   10    8    2 o  879.501   39.139   19.408   1.5959   18.660   1.8698   21.416   3.0628  850.355   42.768  908.648   65.562 -58.29340 78.27789 
1 1 1   10    8    4 o  982.859   37.839   24.768   1.4955   24.636   1.6585   25.343   3.4593  977.803   32.990  987.915   68.108 -10.11261 75.67757 
1 1 1   10    8    6 o  749.834   41.149   16.066   1.1904   16.981   1.3281   12.329   2.6841  811.793   31.822  687.874   75.896 123.9190 82.29759 
1 1 1   10    8    8 o  2423.13   36.100  153.647   3.5957  154.786   4.0286  149.184   7.9733  2450.52   31.977  2395.74   64.734 54.77881 72.20094 
1 1 1   10    8   10 o  684.299   36.912   12.391   1.1681   12.735   1.3890   11.561   2.1587  702.188   38.476  666.411   63.005 35.77777 73.82477 
1 1 1   10    8   12 o  532.696   32.858   7.2893   0.7585   7.2358   0.8638   7.4692   1.5854  529.578   31.725  535.815   57.551 -6.236145 65.71624 
1 1 1   10    8   14 o  358.401   32.455   3.0531   0.5701   2.4576   0.6904   4.3291   1.0107  308.141   43.580  408.661   48.105 -100.5202 64.91026 
1 1 1   10    8   16 o  1307.19   31.569   44.036   1.8456   43.873   2.1348   44.516   3.6724  1304.39   31.833  1309.99   54.527 -5.607544 63.13898 
1 1 1   10    8   18 o  1232.19   39.237   39.173   2.4857   39.173   2.4857   0.0000   0.0000  1232.19   39.237  ?   ?       ?      ? 
1 1 1   10    8   20 o  1314.86   30.922   43.314   1.8451   41.926   2.1366   47.384   3.6593  1275.76   32.575  1353.97   52.568 -78.21667 61.84315 
1 1 1   10    8   22 o  2205.68   33.875  125.632   3.6341  125.714   4.4682  125.473   6.2462  2208.25   39.356  2203.10   55.146 5.154297 67.74921 
1 1 1   10    8   24 o  1208.08   34.475   38.149   2.0136   39.095   2.4768   36.303   3.4582  1231.43   39.121  1184.74   56.776 46.69409 68.94913 
1 1 1   10    8   26 o  1541.93   31.670   60.225   2.2038   59.013   2.5510   63.789   4.3757  1513.43   32.785  1570.42   54.196 -56.98975 63.34048 
1 1 1   10    8   28 o  841.539   33.589   18.896   1.2454   19.498   1.4435   17.141   2.4633  869.837   32.278  813.240   58.916 56.59613 67.17858 
1 1 1   10    8   30 o  743.536   34.227   14.020   1.2466   13.411   1.5295   15.225   2.1517  720.606   41.284  766.466   54.604 -45.86035 68.45394 
1 1 1   10    8   32 o  1003.66   40.397   26.033   2.0845   26.033   2.0845   0.0000   0.0000  1003.66   40.397  ?   ?       ?      ? 
1 1 1   10    8   34 o  978.462   34.766   24.616   1.6620   24.066   2.0426   25.693   2.8588  963.987   41.214  992.938   56.000 -28.95074 69.53116 
1 1 1   10    8   36 o  502.181   37.240   6.7889   0.8939   7.1956   1.1004   5.9994   1.5331  526.581   40.644  477.782   62.412 48.79898 74.47916 
1 1 1   10    8   38 o  714.354   37.180   13.884   1.2648   14.897   1.5588   11.931   2.1639  756.895   40.057  671.812   62.649 85.08337 74.36079 
1 1 1   10    8   40 o  224.891   40.676   1.3589   0.4532   1.3005   0.5557   1.4748   0.7831  218.195   50.534  231.588   63.754 -13.39230 81.35300 
1 1 1   10    8   42 o  405.816   63.689   4.4270   1.3288   4.4270   1.3288   0.0000   0.0000  405.816   63.689  ?   ?       ?      ? 
1 1 1   10    8   44 o  760.136   42.710   15.609   1.6672   14.763   2.3544   16.461   2.3612  738.470   62.013  781.801   58.745 -43.33130 85.42061 
1 1 1   10    8   46 f  505.712   44.940   7.0859   1.1418   5.4441   1.6111   8.7427   1.6184  442.350   70.842  569.074   55.317 -126.7240 89.88058 
1 1 1   10    8   48 o  833.689   61.512   19.134   2.6365   19.134   2.6365   0.0000   0.0000  833.689   61.512  ?   ?       ?      ? 
1 1 1   10    8   50 o  490.224   45.080   6.4505   1.1362   6.4505   1.1362   0.0000   0.0000  490.224   45.080  ?   ?       ?      ? 
1 1 1   10    8   52 o  492.181   63.538   6.8823   1.6078   6.8823   1.6078   0.0000   0.0000  492.181   63.538  ?   ?       ?      ? 
1 1 1   10    8   54 o  319.582   51.161   3.1159   0.8293   4.0547   1.2255   2.3228   1.1264  368.147   67.225  271.016   77.140 97.13022 102.3222 
1 1 1   10    8   56 o  546.560   38.848   7.8629   1.0429   6.1875   1.2678   11.370   1.8343  466.083   52.907  627.037   56.900 -160.9548 77.69677 
1 1 1   10    9    1 o  1067.43   27.159   29.570   1.4477   30.192   1.8508   28.589   2.3237  1082.42   33.258  1052.43   42.945 29.99243 54.31761 
1 1 1   10    9    3 o  1225.27   29.933   38.760   1.8846   39.050   2.6269   38.453   2.7052  1230.08   41.537  1220.46   43.113 9.627441 59.86695 
1 1 1   10    9    5 o  1118.48   39.644   32.268   2.0253   32.104   2.3693   32.712   3.9026  1115.19   41.324  1121.78   67.667 -6.583862 79.28721 
1 1 1   10    9    7 o  724.399   37.677   13.216   1.2663   12.743   1.4853   14.476   2.4229  702.446   41.128  746.354   63.142 -43.90790 75.35484 
1 1 1   10    9    9 o  169.301   35.229   0.7817   0.3130   0.8701   0.3647   0.5346   0.6098  179.984   40.405  158.617   57.723 21.36646 70.45868 
1 1 1   10    9   11 o  152.092   33.129   0.5366   0.2589   0.4544   0.3015   0.7676   0.5054  132.468   40.505  171.715   52.436 -39.24680 66.25791 
1 1 1   10    9   13 o  383.716   34.110   3.7108   0.6303   3.5266   0.7590   4.1203   1.1315  369.305   39.974  398.126   55.282 -28.82120 68.22010 
1 1 1   10    9   15 o  518.941   35.501   7.2018   0.8691   7.5858   1.0557   6.3944   1.5309  541.983   37.888  495.898   60.047 46.08502 71.00137 
1 1 1   10    9   17 o  1635.75   39.261   69.048   3.3018   69.048   3.3018   0.0000   0.0000  1635.75   39.261  ?   ?       ?      ? 
1 1 1   10    9   19 o  1988.02   31.661  101.832   2.8233  101.643   3.2716  102.382   5.5873  1986.40   32.035  1989.65   54.621 -3.248169 63.32235 
1 1 1   10    9   21 o  1332.83   33.352   45.184   2.1778   43.719   2.6782   48.044   3.7418  1302.17   40.005  1363.48   53.378 -61.30859 66.70499 
1 1 1   10    9   23 o  1608.05   31.342   65.171   2.2792   63.538   2.6382   69.978   4.5259  1570.59   32.671  1645.51   53.497 -74.91785 62.68478 
1 1 1   10    9   25 o  861.278   33.628   18.693   1.4187   17.711   1.7371   20.660   2.4582  828.649   40.775  893.906   53.487 -65.25714 67.25688 
1 1 1   10    9   27 o  1245.73   31.852   39.411   1.7870   38.716   2.0675   41.462   3.5535  1225.74   32.807  1265.73   54.607 -39.98962 63.70430 
1 1 1   10    9   29 o  1623.35   32.831   68.828   2.3743   69.560   2.7508   66.689   4.7016  1642.73   32.570  1603.96   57.014 38.76978 65.66114 
1 1 1   10    9   31 o  1648.45   32.858   70.087   2.7848   70.087   2.7848   0.0000   0.0000  1648.45   32.858  ?   ?       ?      ? 
1 1 1   10    9   33 o  887.682   32.202   19.806   1.2927   19.160   1.4942   21.729   2.5779  861.389   33.740  913.974   54.860 -52.58447 64.40471 
1 1 1   10    9   35 o  1617.66   35.057   68.007   2.7581   67.738   3.3886   68.535   4.7477  1616.26   40.779  1619.06   57.036 -2.799805 70.11428 
1 1 1   10    9   37 o  1111.69   34.413   33.243   1.6869   34.249   1.9565   30.330   3.3302  1150.08   33.088  1073.30   60.351 76.77734 68.82614 
1 1 1   10    9   39 o  1293.97   33.549   43.915   1.9415   43.989   2.2505   43.701   3.8389  1302.03   33.620  1285.92   58.067 16.10913 67.09741 
1 1 1   10    9   41 o  828.224   41.730   17.952   1.7769   17.952   1.7769   0.0000   0.0000  828.224   41.730  ?   ?       ?      ? 
1 1 1   10    9   43 o  949.382   35.475   23.217   1.6514   21.703   2.0218   26.253   2.8626  908.008   43.309  990.755   56.199 -82.74780 70.95095 
1 1 1   10    9   45 o  352.413   46.612   3.4948   0.8134   3.3880   1.1437   3.6040   1.1570  346.538   66.616  358.287   65.214 -11.74976 93.22353 
1 1 1   10    9   47 o  359.176   48.877   3.6879   0.8686   3.6221   1.1925   3.7622   1.2677  356.474   67.538  361.878   70.670 -5.404022 97.75343 
1 1 1   10    9   49 o  164.736   38.418   0.6445   0.4299   1.1682   0.5788   0.0000   0.6420  203.524   54.304  125.949   54.359 77.57542 76.83627 
1 1 1   10    9   51 o  1160.46   62.672   37.903   3.7392   37.903   3.7392   0.0000   0.0000  1160.46   62.672  ?   ?       ?      ? 
1 1 1   10    9   53 o  446.104   65.203   5.7504   1.4955   5.7504   1.4955   0.0000   0.0000  446.104   65.203  ?   ?       ?      ? 
1 1 1   10    9   55 o  326.172   72.972   3.3346   1.1931   3.3346   1.1931   0.0000   0.0000  326.172   72.972  ?   ?       ?      ? 
1 1 1   10    9   57 o  234.549   47.394   1.6768   0.6681   2.7811   0.9763   0.7039   0.9164  298.129   65.485  170.968   68.531 127.1613 94.78760 
1 1 1   10   10    0 o  106.544   37.201   0.4306   0.2453   0.4614   0.3396   0.3969   0.3546  110.478   52.482  102.610   52.738 0.000000 0.000000 
1 1 1   10   10    2 o  264.835   30.121   1.9149   0.3813   2.1656   0.4933   1.5430   0.6008  289.856   33.105  239.814   50.331 50.04134 60.24229 
1 1 1   10   10    4 o  1261.26   29.744   41.042   1.9277   39.329   2.6832   42.869   2.7714  1234.06   42.291  1288.46   41.837 -54.40222 59.48826 
1 1 1   10   10    6 o  1586.87   29.538   65.105   2.4073   66.382   3.3493   63.741   3.4624  1603.18   40.635  1570.55   42.881 32.62769 59.07587 
1 1 1   10   10    8 o  1105.26   29.084   31.585   1.6505   31.745   2.2796   31.408   2.3928  1108.38   40.003  1102.15   42.227 6.233643 58.16708 
1 1 1   10   10   10 f  1261.46   35.066   41.173   2.1734   41.607   3.6656   40.937   2.6990  1264.96   56.364  1257.97   41.732 6.989624 70.13181 
1 1 1   10   10   12 o  538.578   37.604   7.8016   0.9289   8.1655   1.1051   6.9252   1.7149  562.088   38.240  515.068   64.761 47.01996 75.20805 
1 1 1   10   10   14 o  828.372   35.484   18.071   1.3861   18.530   1.6698   17.054   2.4861  846.982   38.345  809.763   59.717 37.21881 70.96760 
1 1 1   10   10   16 f  487.621   55.822   6.1624   1.3994   6.1624   1.3994   0.0000   0.0000  487.621   55.822  ?   ?       ?      ? 
1 1 1   10   10   18 o  518.527   39.046   6.9338   1.0409   6.9338   1.0409   0.0000   0.0000  518.527   39.046  ?   ?       ?      ? 
1 1 1   10   10   20 f  784.067   33.209   15.384   1.2770   14.352   1.5619   17.464   2.2176  746.040   40.723  822.095   52.469 -76.05499 66.41752 
1 1 1   10   10   22 o  1117.15   34.972   33.210   1.8718   35.188   2.3065   29.392   3.2038  1168.38   38.396  1065.92   58.462 102.4607 69.94362 
1 1 1   10   10   24 o  1354.24   33.624   46.563   2.2297   44.854   2.7380   49.928   3.8419  1318.81   40.381  1389.68   53.773 -70.87280 67.24711 
1 1 1   10   10   26 o  1300.50   30.890   41.396   1.8332   38.976   2.1182   48.616   3.6593  1229.84   33.501  1371.17   51.908 -141.3276 61.77977 
1 1 1   10   10   28 o  656.296   33.067   11.225   0.9671   11.321   1.1201   10.945   1.9172  662.737   32.873  649.855   57.384 12.88141 66.13309 
1 1 1   10   10   30 o  1295.06   40.405   43.324   2.6903   43.324   2.6903   0.0000   0.0000  1295.06   40.405  ?   ?       ?      ? 
1 1 1   10   10   32 o  1042.35   35.344   28.545   1.7808   29.300   2.1916   27.078   3.0554  1064.56   40.042  1020.15   58.254 44.40637 70.68884 
1 1 1   10   10   34 o  891.138   30.842   18.915   1.2632   17.088   1.4567   24.454   2.5363  812.943   34.853  969.334   50.893 -156.3914 61.68315 
1 1 1   10   10   36 o  580.835   31.780   8.1583   0.8449   7.4931   0.9743   10.176   1.6966  537.849   35.235  623.820   52.901 -85.97083 63.56074 
1 1 1   10   10   38 o  1107.37   34.165   32.680   1.6805   33.304   1.9503   30.881   3.3120  1133.35   33.470  1081.38   59.572 51.96716 68.33058 
1 1 1   10   10   40 o  350.816   39.199   3.4065   0.6430   3.6328   0.7987   2.9897   1.0840  372.832   41.667  328.800   66.410 44.03174 78.39858 
1 1 1   10   10   42 o  527.208   42.861   7.3009   1.1618   7.3009   1.1618   0.0000   0.0000  527.208   42.861  ?   ?       ?      ? 
1 1 1   10   10   44 o  149.842   31.837   0.4000   0.2562   0.1669   0.2963   1.0911   0.5102  100.995   39.442  198.689   49.987 -97.69358 63.67347 
1 1 1   10   10   46 o  133.910   34.258   0.3559   0.2653   0.2916   0.3026   0.5696   0.5520  113.454   40.751  154.367   55.081 -40.91306 68.51628 
1 1 1   10   10   48 o  839.036   36.707   19.483   1.3402   19.935   1.5459   18.114   2.6892  870.674   34.534  807.398   64.784 63.27570 73.41319 
1 1 1   10   10   50 o  454.798   42.806   6.0968   0.8795   6.6843   1.0812   4.9475   1.5122  500.065   42.055  409.532   74.571 90.53256 85.61226 
1 1 1   10   10   52 o  189.034   43.690   0.8896   0.4257   0.7767   0.4825   1.2864   0.9047  166.979   51.276  211.090   70.753 -44.11143 87.37959 
1 1 1   10   10   54 o  328.751   51.447   3.3379   0.8754   2.3771   1.2240   4.3436   1.2523  270.819   81.358  386.684   62.994 -115.8653 102.8946 
1 1 1   10   10   56 o  209.400   68.706   1.3616   0.8544   1.3616   0.8544   0.0000   0.0000  209.400   68.706  ?   ?       ?      ? 
1 1 1   10   11    1 o  1397.08   27.552   50.490   1.9520   51.062   2.5660   49.705   3.0072  1406.98   35.474  1387.19   42.166 19.79114 55.10306 
1 1 1   10   11    3 o  1299.33   27.756   43.459   1.8298   42.815   2.3926   44.367   2.8398  1288.19   36.127  1310.46   42.149 -22.27197 55.51294 
1 1 1   10   11    5 o  1254.05   29.726   40.653   1.9154   40.818   2.6651   40.476   2.7545  1256.82   41.245  1251.29   42.818 5.534668 59.45194 
1 1 1   10   11    7 f  404.792   29.480   4.2326   0.6132   4.1022   0.8505   4.3737   0.8849  398.315   41.532  411.269   41.850 -12.95450 58.96054 
1 1 1   10   11    9 o  806.307   43.592   16.795   1.7990   15.224   2.4140   18.758   2.6981  764.301   61.433  848.312   61.863 -84.01129 87.18420 
1 1 1   10   11   11 o  315.177   29.085   2.5819   0.4689   2.7454   0.6454   2.3992   0.6823  325.912   38.519  304.442   43.590 21.46979 58.17033 
1 1 1   10   11   13 o  1429.75   28.100   52.868   2.0624   53.743   2.8538   51.911   2.9839  1442.38   38.484  1417.12   40.955 25.25769 56.19920 
1 1 1   10   11   15 f  954.848   39.349   23.630   1.9316   23.416   2.7164   23.850   2.7473  950.479   55.588  959.218   55.708 -8.739319 78.69812 
1 1 1   10   11   17 o  1536.49   39.033   60.888   3.0835   60.888   3.0835   0.0000   0.0000  1536.49   39.033  ?   ?       ?      ? 
1 1 1   10   11   19 o  504.120   33.604   6.3834   0.8266   6.0269   1.0073   7.1188   1.4466  483.443   40.526  524.796   53.615 -41.35324 67.20805 
1 1 1   10   11   21 o  1172.47   39.165   35.540   2.3607   36.035   3.3408   35.046   3.3363  1180.67   55.037  1164.27   55.737 16.39673 78.33070 
1 1 1   10   11   23 o  1754.16   33.362   77.574   2.8704   73.536   3.5206   85.581   4.9573  1688.65   40.551  1819.66   52.989 -131.0084 66.72482 
1 1 1   10   11   25 o  2422.49   34.197  151.806   4.0281  152.219   4.9539  151.000   6.9200  2429.33   39.664  2415.64   55.719 13.68750 68.39449 
1 1 1   10   11   27 o  1369.71   35.002   49.392   2.3114   51.186   2.8448   45.907   3.9648  1408.46   39.285  1330.96   57.941 77.50122 70.00396 
1 1 1   10   11   29 o  706.014   40.561   12.872   1.4723   12.872   1.4723   0.0000   0.0000  706.014   40.561  ?   ?       ?      ? 
1 1 1   10   11   31 o  741.846   34.922   15.094   1.1264   15.932   1.3070   12.674   2.2207  785.904   32.348  697.787   61.902 88.11731 69.84457 
1 1 1   10   11   33 o  1274.90   32.619   41.775   1.8717   41.354   2.1692   43.001   3.7030  1265.27   33.347  1284.54   56.070 -19.27039 65.23735 
1 1 1   10   11   35 o  1483.22   35.524   57.847   2.5496   58.843   3.1341   55.898   4.3843  1505.95   40.479  1460.48   58.389 45.46143 71.04805 
1 1 1   10   11   37 o  491.063   33.458   6.1817   0.7429   6.0565   0.8614   6.5453   1.4678  483.323   34.666  498.803   57.236 -15.48038 66.91551 
1 1 1   10   11   39 o  687.974   32.446   11.579   1.0183   10.716   1.1736   14.209   2.0483  642.046   35.553  733.901   54.286 -91.85486 64.89198 
1 1 1   10   11   41 o  799.592   34.038   16.645   1.3993   16.645   1.3993   0.0000   0.0000  799.592   34.038  ?   ?       ?      ? 
1 1 1   10   11   43 o  643.351   34.560   10.833   0.9908   10.683   1.1429   11.287   1.9880  639.471   34.762  647.232   59.743 -7.761780 69.12067 
1 1 1   10   11   45 o  438.099   38.403   5.2027   0.8161   5.2822   1.0072   5.0508   1.3928  446.447   43.879  429.750   63.039 16.69614 76.80659 
1 1 1   10   11   47 o  282.991   34.071   1.6716   0.4360   0.9891   0.5009   3.8037   0.8853  188.474   50.620  377.508   45.616 -189.0333 68.14114 
1 1 1   10   11   49 o  354.812   36.818   3.3290   0.6716   3.3290   0.6716   0.0000   0.0000  354.812   36.818  ?   ?       ?      ? 
1 1 1   10   11   51 o  680.898   43.866   12.496   1.5356   12.496   1.5356   0.0000   0.0000  680.898   43.866  ?   ?       ?      ? 
1 1 1   10   11   53 o  237.852   41.332   1.7466   0.4524   1.8627   0.5100   1.3176   0.9805  263.562   37.636  212.141   73.599 51.42139 82.66340 
1 1 1   10   11   55 o  424.535   40.403   5.2045   0.8203   5.2416   1.0013   5.1289   1.4306  435.729   44.695  413.341   67.320 22.38809 80.80644 
1 1 1   10   11   57 o  156.713   36.412   0.7242   0.3820   1.0360   0.4569   0.0000   0.6964  187.873   47.330  125.553   55.347 62.31986 72.82455 
1 1 1   10   12    0 o  932.168   36.479   22.723   1.7238   21.765   2.5596   23.518   2.3318  913.119   54.979  951.217   47.960 -0.000000 0.000000 
1 1 1   10   12    2 o  328.302   28.451   2.7590   0.4778   2.5250   0.6382   3.0576   0.7208  312.627   39.708  343.976   40.757 -31.34882 56.90207 
1 1 1   10   12    4 o  655.750   30.201   11.139   1.0130   9.7532   1.4198   12.576   1.4458  613.916   44.982  697.585   40.312 -83.66956 60.40198 
1 1 1   10   12    6 o  1127.51   29.604   32.884   1.7150   32.940   2.3845   32.824   2.4684  1128.63   41.094  1126.39   42.625 2.240234 59.20786 
1 1 1   10   12    8 o  1828.28   39.382   87.719   3.2689   88.669   3.8273   85.158   6.2850  1851.71   40.203  1804.84   67.732 46.86414 78.76493 
1 1 1   10   12   10 o  519.944   35.370   6.8894   0.9039   7.4297   1.5462   6.6089   1.1140  534.535   56.264  505.354   42.877 29.18079 70.73948 
1 1 1   10   12   12 o  1089.98   28.553   30.804   1.5943   32.269   2.1983   29.178   2.3155  1117.71   38.255  1062.24   42.398 55.47412 57.10558 
1 1 1   10   12   14 o  643.755   40.490   10.912   1.3092   13.551   1.8501   8.2653   1.8529  723.614   49.731  563.895   63.911 159.7196 80.97998 
1 1 1   10   12   16 f  1772.29   33.887   80.703   2.8999   79.858   3.5302   82.456   5.0852  1759.60   39.023  1784.97   55.412 -25.37122 67.77394 
1 1 1   10   12   18 o  812.265   27.934   17.015   1.1661   17.132   1.6300   16.892   1.6689  815.175   38.892  809.355   40.108 5.820618 55.86853 
1 1 1   10   12   20 o  1445.61   34.394   54.440   2.3954   55.381   2.9305   52.547   4.1584  1465.73   38.888  1425.49   56.740 40.23694 68.78767 
1 1 1   10   12   22 o  2355.91   34.204  144.076   3.9028  145.624   4.7904  141.021   6.7303  2376.62   39.205  2335.20   56.059 41.41919 68.40772 
1 1 1   10   12   24 o  1097.49   34.944   31.725   1.8459   32.942   2.2697   29.348   3.1725  1130.21   39.061  1064.76   57.953 65.45642 69.88790 
1 1 1   10   12   26 o  1371.68   34.954   49.437   2.3093   51.027   2.8363   46.310   3.9775  1406.38   39.226  1336.99   57.865 69.38452 69.90730 
1 1 1   10   12   28 o  704.977   40.189   12.884   1.4566   12.963   2.0704   12.807   2.0497  707.100   56.951  702.854   56.722 4.246277 80.37887 
1 1 1   10   12   30 o  260.581   39.384   1.9910   0.4992   2.4141   0.6174   1.1923   0.8483  305.709   39.282  215.453   68.274 90.25560 78.76804 
1 1 1   10   12   32 o  1391.55   34.541   49.585   2.3476   48.161   2.8801   52.403   4.0526  1364.14   41.065  1418.96   55.552 -54.82288 69.08240 
1 1 1   10   12   34 o  1451.67   32.191   52.875   2.1153   50.892   2.4439   58.800   4.2233  1402.78   33.887  1500.56   54.743 -97.78625 64.38229 
1 1 1   10   12   36 o  789.257   32.822   15.838   1.1692   15.413   1.3521   17.098   2.3278  771.357   34.095  807.156   56.095 -35.79858 65.64349 
1 1 1   10   12   38 o  810.394   32.518   16.614   1.1960   16.007   1.3846   18.399   2.3737  785.278   34.295  835.511   55.259 -50.23248 65.03636 
1 1 1   10   12   40 o   94.037   37.454   0.1200   0.2719   0.1200   0.2719   0.0000   0.0000   94.037   37.454  ?   ?       ?      ? 
1 1 1   10   12   42 o  662.978   35.595   11.128   1.1600   9.9673   1.4160   13.498   2.0228  614.943   44.786  711.013   55.336 -96.07001 71.18906 
1 1 1   10   12   44 o  443.004   33.358   4.8288   0.6749   4.4166   0.7773   6.0910   1.3603  410.289   36.849  475.720   55.616 -65.43106 66.71609 
1 1 1   10   12   46 o   92.377   28.029   0.0521   0.1735   0.0602   0.1865   0.0000   0.4731   75.407   30.669  109.348   46.923 -33.94118 56.05721 
1 1 1   10   12   48 o  915.775   38.259   24.495   1.4885   26.194   1.7250   19.542   2.9451  998.202   33.613  833.348   68.740 164.8542 76.51819 
1 1 1   10   12   50 o  234.471   47.244   1.5337   0.5498   1.5337   0.5498   0.0000   0.0000  234.471   47.244  ?   ?       ?      ? 
1 1 1   10   12   52 f  332.678   42.239   3.4580   0.5926   3.7631   0.6901   2.6003   1.1569  375.871   35.709  289.484   76.560 86.38785 84.47833 
1 1 1   10   12   54 f  245.107   41.604   1.8042   0.5038   1.8686   0.6273   1.6873   0.8457  255.605   49.524  234.610   66.864 20.99449 83.20715 
1 1 1   10   12   56 o  136.632   34.668   0.4670   0.3356   0.7114   0.4142   0.0000   0.5725  157.364   47.340  115.900   50.661 41.46357 69.33636 
1 1 1   10   13    1 o  999.472   28.258   25.949   1.4395   26.925   1.9351   24.741   2.1539  1021.02   36.863  977.922   42.840 43.10089 56.51685 
1 1 1   10   13    3 o  891.395   28.554   20.675   1.2941   21.555   1.7296   19.557   1.9507  913.498   36.827  869.292   43.647 44.20648 57.10756 
1 1 1   10   13    5 o  1062.66   29.987   29.271   1.6352   30.964   2.2950   27.526   2.3305  1094.18   40.797  1031.15   43.959 63.02527 59.97333 
1 1 1   10   13    7 o  1236.05   29.561   39.556   1.8765   40.195   2.6069   38.869   2.7034  1246.63   40.674  1225.47   42.909 21.15576 59.12278 
1 1 1   10   13    9 o  766.111   37.701   15.673   1.3808   14.011   2.3781   16.518   1.6960  733.052   63.101  799.171   41.277 -66.11890 75.40211 
1 1 1   10   13   11 o  1124.71   34.437   32.826   1.9213   32.532   3.1554   32.999   2.4220  1119.57   54.819  1129.85   41.695 -10.27869 68.87386 
1 1 1   10   13   13 o  1202.07   39.058   37.474   2.4118   39.186   3.4056   35.751   3.4159  1229.87   53.859  1174.27   56.581 55.60327 78.11658 
1 1 1   10   13   15 o  473.869   28.272   5.7873   0.6882   5.6687   0.9498   5.9183   0.9985  468.787   39.409  478.951   40.549 -10.16382 56.54441 
1 1 1   10   13   17 o  930.053   27.987   22.295   1.3377   22.012   1.8602   22.598   1.9250  923.975   39.159  936.131   39.996 -12.15613 55.97439 
1 1 1   10   13   19 o  1072.35   34.094   29.138   1.7673   28.129   2.1418   31.291   3.1283  1044.52   39.883  1100.17   55.307 -55.64880 68.18713 
1 1 1   10   13   21 o  1872.91   34.372   91.201   3.1288   88.625   5.3476   92.542   3.8582  1851.25   56.185  1894.56   39.610 -43.30322 68.74382 
1 1 1   10   13   23 o  589.486   28.440   8.9605   0.8619   8.8257   1.2085   9.1001   1.2294  584.975   40.184  593.997   40.258 -9.022034 56.88078 
1 1 1   10   13   25 o  2204.73   34.129  125.056   3.6587  123.912   4.4864  127.329   6.3219  2191.59   39.817  2217.88   55.442 -26.29004 68.25845 
1 1 1   10   13   27 o  697.149   40.350   12.606   1.4452   13.085   2.0369   12.120   2.0508  710.633   55.752  683.665   58.346 26.96765 80.70008 
1 1 1   10   13   29 o  1256.86   40.171   40.807   2.5958   40.807   2.5958   0.0000   0.0000  1256.86   40.171  ?   ?       ?      ? 
1 1 1   10   13   31 o  1073.38   40.404   29.977   2.2290   30.967   3.1675   29.006   3.1374  1091.08   56.467  1055.67   57.806 35.40796 80.80833 
1 1 1   10   13   33 o  871.264   34.623   19.327   1.4786   18.421   1.8144   21.118   2.5510  842.883   41.870  899.645   55.154 -56.76239 69.24589 
1 1 1   10   13   35 o  558.305   37.064   8.4321   0.9897   9.0161   1.2225   7.3214   1.6859  589.248   40.355  527.363   62.180 61.88580 74.12716 
1 1 1   10   13   37 o  315.213   38.568   2.7952   0.5164   2.9311   0.5979   2.3960   1.0249  336.114   34.599  294.313   68.941 41.80060 77.13538 
1 1 1   10   13   39 o  598.592   36.425   9.4215   1.0616   9.3692   1.3061   9.5231   1.8223  598.547   42.444  598.637   59.208 -0.8953857E-01 72.85022 
1 1 1   10   13   41 o  235.612   39.305   1.4521   0.4484   1.2656   0.5473   1.8326   0.7818  214.541   50.466  256.682   60.272 -42.14096 78.60986 
1 1 1   10   13   43 o  406.256   32.567   3.9136   0.6099   3.4097   0.7021   5.4636   1.2314  360.505   37.879  452.007   52.987 -91.50256 65.13390 
1 1 1   10   13   45 o  439.557   38.302   5.3320   0.8073   5.5876   0.9951   4.8402   1.3805  459.409   42.131  419.705   63.979 39.70435 76.60484 
1 1 1   10   13   47 o  315.641   41.820   3.3022   0.5607   3.8678   0.6566   1.7785   1.0777  383.860   33.271  247.422   76.739 136.4377 83.64068 
1 1 1   10   13   49 o  342.969   37.444   2.9315   0.6140   2.1042   0.7484   4.6350   1.0739  272.860   55.240  413.079   50.565 -140.2189 74.88895 
1 1 1   10   13   51 o  370.631   45.041   4.2342   0.7499   4.7364   0.9156   3.2112   1.3069  419.327   42.469  321.935   79.443 97.39197 90.08229 
1 1 1   10   13   53 o  402.780   44.997   5.2991   0.7252   5.8675   0.8421   3.6675   1.4267  468.685   34.946  336.875   82.932 131.8106 89.99467 
1 1 1   10   13   55 o  108.675   29.441   0.2482   0.2279   0.3417   0.2675   0.0000   0.4358  114.534   38.469  102.816   44.579 11.71778 58.88277 
1 1 1   10   14    0 o  875.791   37.788   19.963   1.6680   19.547   2.1912   20.536   2.5722  865.840   49.596  885.741   57.027 0.000000 0.000000 
1 1 1   10   14    2 o  2108.62   26.251  114.856   2.8394  115.241   4.1615  114.522   3.8839  2111.57   38.333  2105.68   35.876 5.890381 52.50266 
1 1 1   10   14    4 o  933.066   28.185   22.467   1.3397   22.183   1.7735   22.845   2.0447  926.552   37.229  939.579   42.327 -13.02643 56.37010 
1 1 1   10   14    6 o  468.115   30.060   5.6846   0.7216   6.0308   1.0081   5.3207   1.0333  482.905   40.603  453.324   44.337 29.58087 60.12006 
1 1 1   10   14    8 o  604.805   46.483   9.5626   1.4370   9.7222   1.9409   9.3690   2.1379  610.923   61.795  598.687   69.457 12.23633 92.96695 
1 1 1   10   14   10 o  519.964   34.947   7.1117   0.8986   6.5793   1.4582   7.4377   1.1410  503.445   56.337  536.483   41.368 -33.03806 69.89384 
1 1 1   10   14   12 o  314.862   37.093   2.6998   0.5415   2.8681   0.6644   2.3669   0.9344  333.365   38.764  296.358   63.252 37.00705 74.18539 
1 1 1   10   14   14 f  367.968   28.858   3.4812   0.5450   3.2515   0.7461   3.7438   0.7979  355.003   40.880  380.933   40.741 -25.93015 57.71519 
1 1 1   10   14   16 o  1055.69   28.116   28.676   1.5240   26.741   2.1050   30.806   2.2093  1018.32   40.207  1093.06   39.313 -74.74554 56.23249 
1 1 1   10   14   18 o  658.083   28.207   11.170   0.9535   11.286   1.3254   11.046   1.3728  661.660   38.963  654.505   40.796 7.155090 56.41343 
1 1 1   10   14   20 o  1529.59   39.837   60.452   3.1314   58.759   4.3511   62.272   4.5101  1507.42   56.143  1551.77   56.531 -44.35303 79.67350 
1 1 1   10   14   22 o  1111.95   28.066   31.883   1.6043   31.763   2.2489   32.007   2.2892  1109.84   39.413  1114.06   39.968 -4.213135 56.13233 
1 1 1   10   14   24 o  786.313   28.267   15.950   1.1427   15.943   1.6119   15.958   1.6202  786.128   39.882  786.498   40.068 -0.3703003 56.53352 
1 1 1   10   14   26 o  1501.00   35.006   58.910   2.5397   56.359   4.3696   60.212   3.1210  1474.56   57.637  1527.44   39.743 -52.87720 70.01128 
1 1 1   10   14   28 o  1066.65   40.236   29.387   2.2065   29.387   2.2065   0.0000   0.0000  1066.65   40.236  ?   ?       ?      ? 
1 1 1   10   14   30 o  353.444   38.322   3.2953   0.6292   3.2997   0.7620   3.2857   1.1159  357.208   41.489  349.680   64.443 7.527863 76.64420 
1 1 1   10   14   32 o  637.146   34.818   10.279   1.0854   9.7077   1.3269   11.434   1.8868  612.023   42.171  662.268   55.415 -50.24481 69.63603 
1 1 1   10   14   34 o  1189.46   35.143   36.678   2.0302   36.230   2.4860   37.574   3.5180  1181.38   40.930  1197.55   57.139 -16.17163 70.28593 
1 1 1   10   14   36 f  315.592   36.749   2.4147   0.5583   1.8663   0.6787   3.5632   0.9821  262.464   52.132  368.720   51.808 -106.2563 73.49705 
1 1 1   10   14   38 o  1283.51   35.193   42.323   2.2078   40.278   2.7010   46.440   3.8326  1241.74   42.309  1325.27   56.250 -83.52258 70.38510 
1 1 1   10   14   40 o  634.662   34.073   10.488   1.1118   10.488   1.1118   0.0000   0.0000  634.662   34.073  ?   ?       ?      ? 
1 1 1   10   14   42 o  144.321   35.505   0.4730   0.2778   0.4554   0.3117   0.5411   0.6131  131.999   41.324  156.643   57.748 -24.64452 71.01035 
1 1 1   10   14   44 o  644.737   36.066   11.472   1.0210   11.832   1.1844   10.431   2.0145  672.130   34.275  617.343   63.469 54.78656 72.13248 
1 1 1   10   14   46 o  667.232   36.401   12.413   1.0603   12.845   1.2285   11.151   2.0989  699.437   34.164  635.027   64.288 64.41040 72.80160 
1 1 1   10   14   48 o  244.080   36.879   1.3894   0.4073   1.0490   0.4686   2.4415   0.8239  193.798   47.418  294.363   56.495 -100.5645 73.75729 
1 1 1   10   14   50 o  524.313   36.012   7.2951   0.9707   7.2951   0.9707   0.0000   0.0000  524.313   36.012  ?   ?       ?      ? 
1 1 1   10   14   52 o  122.277   33.643   0.2796   0.2855   0.2577   0.3426   0.3291   0.5161  112.477   42.804  132.077   51.915 -19.60053 67.28621 
1 1 1   10   14   54 o  327.714   45.267   3.9334   0.7261   5.2796   0.8964   1.3656   1.2381  440.846   39.551  214.581   81.438 226.2645 90.53409 
1 1 1   10   14   56 o  284.961   43.617   2.6432   0.5523   2.8101   0.6354   2.1277   1.1168  320.123   38.609  249.798   78.224 70.32457 87.23356 
1 1 1   10   15    1 o  1353.69   28.857   47.310   1.9971   46.621   2.6768   48.174   2.9991  1343.01   38.767  1364.37   42.755 -21.36548 57.71430 
1 1 1   10   15    3 o  458.108   28.866   5.4209   0.6775   5.3525   0.9179   5.5027   1.0041  455.044   39.236  461.172   42.349 -6.127808 57.73142 
1 1 1   10   15    5 o  273.561   32.267   1.9809   0.4402   1.7435   0.6306   2.2064   0.6148  255.010   49.887  292.111   40.938 -37.10103 64.53411 
1 1 1   10   15    7 f  1130.86   69.407   33.396   4.0354   0.0000   0.0000   33.396   4.0354  ?   ?   1130.86   69.407      ?      ? 
1 1 1   10   15    9 o  390.637   39.077   3.9759   0.7784   3.3792   1.0964   4.5821   1.1052  360.705   59.123  420.570   51.112 -59.86441 78.15398 
1 1 1   10   15   11 o  1602.70   34.396   67.306   2.6733   69.205   3.3013   63.690   4.5559  1637.63   39.210  1567.78   56.522 69.84778 68.79125 
1 1 1   10   15   13 o  2248.03   28.655  130.303   3.3060  129.264   4.5337  131.482   4.8311  2238.69   39.390  2257.38   41.627 -18.68530 57.30981 
1 1 1   10   15   15 o  1717.66   28.387   76.164   2.5018   77.525   3.4482   74.650   3.6352  1734.08   38.677  1701.24   41.562 32.83838 56.77430 
1 1 1   10   15   17 o  1151.37   28.361   34.303   1.6727   36.422   2.3195   32.007   2.4144  1188.72   37.953  1114.01   42.155 74.71631 56.72237 
1 1 1   10   15   19 o  1198.32   35.515   37.241   2.0137   37.483   2.4192   36.694   3.6337  1205.80   39.023  1190.83   59.352 14.97058 71.03091 
1 1 1   10   15   21 o  123.313   29.101   0.3602   0.2218   0.4834   0.3099   0.2309   0.3175  136.337   40.933  110.289   41.377 26.04752 58.20252 
1 1 1   10   15   23 o  1011.30   28.258   26.411   1.4676   27.466   2.0586   25.321   2.0928  1031.96   38.801  990.641   41.090 41.32251 56.51513 
1 1 1   10   15   25 o  1846.53   34.312   87.363   3.0873   90.645   5.3347   85.711   3.7857  1870.74   55.466  1822.33   40.406 48.41479 68.62337 
1 1 1   10   15   27 o  1265.70   34.530   40.862   2.1225   39.688   2.5878   43.274   3.7101  1239.65   40.603  1291.76   55.864 -52.11304 69.06030 
1 1 1   10   15   29 o  535.625   34.589   7.2069   0.9076   6.7321   1.1089   8.1700   1.5794  510.250   42.272  560.999   54.760 -50.74899 69.17738 
1 1 1   10   15   31 o  381.819   43.758   3.8699   0.8386   4.0930   1.1738   3.6372   1.1986  396.193   57.628  367.446   65.864 28.74658 87.51647 
1 1 1   10   15   33 o  1340.12   35.660   47.469   2.2983   48.748   2.8162   44.918   3.9767  1371.01   39.953  1309.22   59.080 61.78601 71.32092 
1 1 1   10   15   35 f  1714.80   35.601   77.545   2.9483   78.834   3.6174   74.995   5.0884  1741.44   40.403  1688.16   58.627 53.27966 71.20112 
1 1 1   10   15   37 o  606.053   34.483   8.7501   1.0226   6.7505   1.2386   13.031   1.8123  507.598   47.462  704.508   50.036 -196.9096 68.96574 
1 1 1   10   15   39 o  1014.93   41.542   26.960   2.1677   26.960   2.1677   0.0000   0.0000  1014.93   41.542  ?   ?       ?      ? 
1 1 1   10   15   41 o  436.870   36.396   4.8958   0.7750   4.5446   0.9415   5.6341   1.3651  415.324   44.091  458.417   57.919 -43.09274 72.79169 
1 1 1   10   15   43 o  647.494   34.743   11.036   1.0022   10.895   1.1564   11.459   2.0083  645.053   34.870  649.935   60.102 -4.882690 69.48534 
1 1 1   10   15   45 o  587.248   36.516   9.0937   1.0459   8.6991   1.2790   9.8900   1.8170  572.259   43.473  602.236   58.684 -29.97687 73.03265 
1 1 1   10   15   47 o  551.112   34.501   7.7639   0.8548   7.3442   0.9822   9.0738   1.7352  527.623   36.209  574.601   58.738 -46.97803 69.00222 
1 1 1   10   15   49 o  343.599   45.839   3.1846   0.8098   3.1846   0.8098   0.0000   0.0000  343.599   45.839  ?   ?       ?      ? 
1 1 1   10   15   51 o  177.589   39.979   0.8448   0.3815   0.7930   0.4494   0.9785   0.7214  167.941   49.011  187.236   63.177 -19.29588 79.95831 
1 1 1   10   15   53 o  232.532   37.478   1.2401   0.3806   0.9458   0.4274   2.3681   0.8366  182.053   45.728  283.012   59.392 -100.9598 74.95631 
1 1 1   10   15   55 o  591.710   47.286   11.819   1.0792   13.142   1.2551   8.0640   2.1142  697.487   34.999  485.932   87.858 211.5552 94.57285 
1 1 1   10   16    0 o  1375.84   45.979   49.568   3.1999   51.079   4.2640   47.620   4.8416  1401.66   59.412  1350.02   70.189 -0.000000 0.000000 
1 1 1   10   16    2 o  1594.02   32.162   66.119   2.6141   62.697   3.8960   68.921   3.5254  1555.50   48.718  1632.55   42.003 -77.04907 64.32426 
1 1 1   10   16    4 f  958.950   31.586   23.808   1.5502   23.623   2.2992   23.963   2.0991  955.221   46.817  962.680   42.412 -7.458557 63.17102 
1 1 1   10   16    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   16    8 o  953.256   34.413   23.686   1.6196   24.158   2.0366   22.873   2.6712  967.189   40.957  939.324   55.313 27.86560 68.82584 
1 1 1   10   16   10 o  516.988   29.587   6.9130   0.7840   7.1047   1.0768   6.6967   1.1438  524.727   39.913  509.250   43.687 15.47717 59.17475 
1 1 1   10   16   12 o  1226.40   28.953   38.786   1.8231   38.543   2.5106   39.056   2.6519  1222.45   39.946  1230.35   41.923 -7.899902 57.90687 
1 1 1   10   16   14 o  1347.11   28.682   46.851   1.9817   47.651   2.7240   45.951   2.8884  1359.50   38.973  1334.71   42.092 24.79260 57.36364 
1 1 1   10   16   16 o  937.617   28.487   22.678   1.3708   22.852   1.8872   22.483   1.9944  941.518   38.986  933.717   41.546 7.801208 56.97380 
1 1 1   10   16   18 o  941.790   36.180   23.162   1.5985   23.536   1.9129   22.296   2.9102  955.499   38.939  928.082   60.991 27.41711 72.36091 
1 1 1   10   16   20 o  1080.10   33.911   29.580   1.8074   32.047   3.0679   28.268   2.2368  1113.36   53.596  1046.85   41.559 66.50757 67.82155 
1 1 1   10   16   22 o  1584.40   28.174   64.730   2.2945   63.566   3.2059   65.952   3.2855  1569.82   39.722  1598.97   39.966 -29.15735 56.34798 
1 1 1   10   16   24 o  633.229   28.531   10.345   0.9253   9.1716   1.2883   11.596   1.3299  596.034   42.042  670.424   38.582 -74.38989 57.06270 
1 1 1   10   16   26 o  482.477   40.725   6.0394   1.0098   6.2412   1.4309   5.8393   1.4253  490.569   56.735  474.385   58.440 16.18466 81.45007 
1 1 1   10   16   28 o  936.464   28.580   22.666   1.3757   23.021   1.9352   22.303   1.9560  943.946   39.876  928.982   40.954 14.96405 57.16048 
1 1 1   10   16   30 o  858.936   40.608   19.222   1.7927   18.612   2.5251   19.841   2.5457  845.064   58.118  872.807   56.731 -27.74310 81.21687 
1 1 1   10   16   32 f  1330.75   34.837   45.757   2.2589   45.023   2.7725   47.207   3.8960  1317.61   40.928  1343.90   56.387 -26.29626 69.67489 
1 1 1   10   16   34 o  620.851   37.388   10.452   1.0987   11.121   1.3435   9.1021   1.9091  654.308   39.938  587.394   63.217 66.91339 74.77542 
1 1 1   10   16   36 o  927.694   35.203   21.987   1.5924   20.817   1.9409   24.395   2.7852  893.477   42.251  961.911   56.319 -68.43384 70.40599 
1 1 1   10   16   38 o  981.770   58.754   25.629   2.9656   25.629   2.9656   0.0000   0.0000  981.770   58.754  ?   ?       ?      ? 
1 1 1   10   16   40 o  659.875   34.744   10.875   1.1285   9.4401   1.3759   13.822   1.9722  598.772   44.696  720.978   53.206 -122.2059 69.48856 
1 1 1   10   16   42 o  628.113   35.598   9.8026   1.0973   8.2747   1.3312   13.042   1.9383  558.666   46.347  697.559   54.046 -138.8926 71.19658 
1 1 1   10   16   44 o  759.398   34.025   14.917   1.1633   14.404   1.3430   16.456   2.3280  740.776   35.264  778.019   58.201 -37.24298 68.05057 
1 1 1   10   16   46 o  590.120   37.205   9.7899   0.9451   10.147   1.0893   8.7036   1.9003  621.368   34.099  558.871   66.138 62.49756 74.41043 
1 1 1   10   16   48 o  284.786   42.750   2.4481   0.5741   2.7110   0.6925   1.8704   1.0267  318.465   42.297  251.107   74.306 67.35812 85.50084 
1 1 1   10   16   50 f  334.069   42.383   3.1639   0.6584   3.1309   0.7956   3.2355   1.1727  339.762   45.546  328.376   71.491 11.38571 84.76643 
1 1 1   10   16   52 o  351.215   45.092   3.9552   0.6320   4.2240   0.7171   3.0200   1.3376  397.629   35.080  304.801   83.082 92.82733 90.18443 
1 1 1   10   16   54 o  699.464   44.088   15.287   1.4132   17.078   1.7406   11.824   2.4205  787.345   42.999  611.583   76.982 175.7615 88.17661 
1 1 1   10   17    1 o  393.360   38.256   4.0833   0.7507   4.3491   0.9713   3.6890   1.1830  410.010   46.076  376.710   61.083 33.30087 76.51188 
1 1 1   10   17    3 o  373.288   36.617   3.5667   0.6972   3.0114   0.9348   4.2629   1.0466  340.848   53.346  405.728   50.175 -64.88040 73.23495 
1 1 1   10   17    5 o  1100.02   66.709   31.489   3.7727   31.489   3.7727   0.0000   0.0000  1100.02   66.709  ?   ?       ?      ? 
1 1 1   10   17    7 o  654.417   35.672   11.403   1.1510   12.455   1.4777   9.7799   1.8354  694.593   41.378  614.240   58.119 80.35339 71.34380 
1 1 1   10   17    9 o  980.210   29.795   24.842   1.4987   25.839   2.0854   23.777   2.1553  1000.73   40.533  959.688   43.682 41.04291 59.59046 
1 1 1   10   17   11 o  1196.39   29.286   36.986   1.7969   37.967   2.4753   35.892   2.6126  1213.36   39.679  1179.41   43.085 33.94788 58.57289 
1 1 1   10   17   13 o  1481.40   28.830   56.539   2.1923   55.697   3.0075   57.495   3.2026  1469.75   39.801  1493.05   41.721 -23.30664 57.66076 
1 1 1   10   17   15 o  1228.60   28.636   38.914   1.8053   38.816   2.4754   39.025   2.6384  1227.06   39.239  1230.13   41.718 -3.068115 57.27205 
1 1 1   10   17   17 o  1491.19   28.417   57.309   2.1753   56.882   2.9899   57.791   3.1707  1485.39   39.151  1496.99   41.197 -11.59253 56.83313 
1 1 1   10   17   19 o  1771.38   40.865   81.238   3.7087   81.705   5.0478   80.689   5.4671  1777.43   55.238  1765.34   60.236 12.08484 81.72933 
1 1 1   10   17   21 o  2311.24   28.371  138.002   3.3659  143.048   4.6897  132.642   4.8338  2355.14   38.731  2267.33   41.467 87.81494 56.74150 
1 1 1   10   17   23 o  2153.97   28.305  119.659   3.1332  114.949   4.3783  124.604   4.4857  2110.48   40.351  2197.47   39.704 -86.98486 56.60934 
1 1 1   10   17   25 o  389.633   41.147   3.9365   0.8227   3.9125   1.1276   3.9638   1.2029  388.466   56.461  390.799   59.870 -2.332672 82.29408 
1 1 1   10   17   27 o  1489.85   28.448   57.354   2.1787   58.080   3.0716   56.619   3.0908  1499.41   39.845  1480.28   40.613 19.12573 56.89510 
1 1 1   10   17   29 o  1239.06   34.947   39.706   2.1001   39.431   2.5704   40.259   3.6423  1234.54   40.497  1243.57   56.968 -9.030640 69.89498 
1 1 1   10   17   31 o  324.062   39.350   2.8291   0.6003   2.6668   1.0283   2.9130   0.7393  313.050   65.971  335.074   42.914 -22.02393 78.70061 
1 1 1   10   17   33 o  490.050   29.835   6.2573   0.7436   5.1269   1.0346   7.4651   1.0694  443.736   45.350  536.364   38.780 -92.62781 59.66999 
1 1 1   10   17   35 f  312.849   40.297   2.6093   0.5825   2.5849   0.6976   2.6655   1.0583  314.857   43.095  310.842   68.104 4.014709 80.59414 
1 1 1   10   17   37 o  294.945   63.614   2.4038   0.9363   2.4038   0.9363   0.0000   0.0000  294.945   63.614  ?   ?       ?      ? 
1 1 1   10   17   39 o  479.269   46.222   7.1254   0.9405   8.6449   1.1609   4.2230   1.6044  574.806   39.282  383.732   83.682 191.0736 92.44342 
1 1 1   10   17   41 o  449.922   47.093   5.6720   1.0274   7.2422   1.4586   4.1254   1.4475  520.112   54.546  379.733   76.785 140.3786 94.18669 
1 1 1   10   17   43 o  484.499   40.239   6.7769   0.9073   7.6414   1.1231   5.1519   1.5397  538.010   40.602  430.987   69.486 107.0234 80.47857 
1 1 1   10   17   45 o  263.781   40.721   1.9729   0.5230   2.0692   0.6457   1.7891   0.8918  278.512   45.096  249.051   67.817 29.46135 81.44216 
1 1 1   10   17   47 f  368.356   42.430   4.0275   0.7184   4.5523   0.8984   3.0966   1.1964  413.048   42.304  323.663   73.564 89.38541 84.86084 
1 1 1   10   17   49 o  236.305   34.863   1.3102   0.3684   1.0180   0.4218   2.2493   0.7561  190.890   43.899  281.720   54.172 -90.82979 69.72637 
1 1 1   10   17   51 o  624.154   37.545   10.778   1.0161   10.711   1.1630   10.996   2.0881  633.444   35.712  614.864   66.054 18.57959 75.09016 
1 1 1   10   17   53 o  234.601   40.137   1.6850   0.4497   1.7916   0.5226   1.3811   0.8825  256.783   39.586  212.420   69.834 44.36307 80.27377 
1 1 1   10   17   55 o  397.121   48.789   5.4281   0.8569   6.3741   1.0532   3.5758   1.4737  478.763   42.789  315.479   87.696 163.2839 97.57806 
1 1 1   10   18    0 o  1030.04   47.583   27.843   2.4714   27.268   3.7352   28.290   3.2961  1019.05   72.122  1041.02   62.090 0.000000 0.000000 
1 1 1   10   18    2 o  1908.69   40.223   94.668   3.3786   94.911   3.8839   93.912   6.8504  1917.75   39.391  1899.62   70.142 18.13184 80.44603 
1 1 1   10   18    4 o  1365.23   43.753   49.102   2.8371   50.391   3.4377   46.348   5.0239  1396.26   47.889  1334.19   73.240 62.07104 87.50696 
1 1 1   10   18    6 o  392.177   31.698   3.9861   0.6365   3.7641   0.9262   4.1848   0.8762  381.696   47.198  402.659   42.324 -20.96317 63.39572 
1 1 1   10   18    8 o  1047.19   30.267   28.299   1.6293   28.932   2.3084   27.671   2.2998  1058.89   42.403  1035.49   43.200 23.40027 60.53315 
1 1 1   10   18   10 o  2134.37   29.649  117.615   3.2499  120.283   4.5241  114.771   4.6715  2159.60   40.746  2109.14   43.080 50.46484 59.29733 
1 1 1   10   18   12 o  1555.92   29.148   62.345   2.3285   60.883   3.1968   63.998   3.3985  1536.61   40.465  1575.23   41.963 -38.62830 58.29550 
1 1 1   10   18   14 o  409.190   29.791   4.3422   0.6230   4.6227   0.8546   4.0242   0.9100  423.456   39.256  394.924   44.821 28.53186 59.58132 
1 1 1   10   18   16 o  1561.13   28.739   62.993   2.2989   64.994   3.1564   60.731   3.3551  1587.84   38.664  1534.42   42.529 53.41577 57.47775 
1 1 1   10   18   18 o  353.823   44.270   3.2432   0.7838   2.8657   1.0346   3.7517   1.2009  327.044   63.821  380.602   61.370 -53.55811 88.53976 
1 1 1   10   18   20 o  1473.86   28.517   56.167   2.1555   58.560   2.9875   53.570   3.1129  1506.90   38.562  1440.83   42.022 66.06799 57.03425 
1 1 1   10   18   22 o  1361.33   28.500   47.844   1.9929   48.340   2.7692   47.313   2.8703  1368.76   39.352  1353.90   41.236 14.86340 56.99968 
1 1 1   10   18   24 o  1872.25   39.981   90.883   3.8437   85.053   5.3972   96.883   5.4754  1810.92   57.969  1933.59   55.078 -122.6774 79.96299 
1 1 1   10   18   26 o  1154.77   28.558   34.435   1.6949   33.182   2.3705   35.746   2.4243  1133.25   40.687  1176.30   40.087 -43.04663 57.11693 
1 1 1   10   18   28 o  720.667   28.881   13.431   1.0699   13.117   1.5001   13.756   1.5264  712.081   40.976  729.252   40.711 -17.17102 57.76220 
1 1 1   10   18   30 o  884.546   41.238   20.429   1.8709   18.579   2.6054   22.398   2.6883  842.786   60.131  926.306   56.449 -83.52045 82.47520 
1 1 1   10   18   32 o  733.929   29.160   13.990   1.0969   12.572   1.5323   15.481   1.5709  695.479   42.853  772.379   39.558 -76.90015 58.31973 
1 1 1   10   18   34 o  815.951   29.226   17.330   1.2257   16.818   1.7260   17.852   1.7409  803.672   41.773  828.231   40.885 -24.55823 58.45113 
1 1 1   10   18   36 o  686.285   43.413   12.724   1.4920   15.857   2.1038   9.5528   2.1163  775.692   52.753  596.877   68.964 178.8153 86.82686 
1 1 1   10   18   38 f  620.979   36.978   10.117   1.1106   9.9335   1.3533   10.496   1.9435  615.444   42.769  626.513   60.336 -11.06952 73.95667 
1 1 1   10   18   40 o  569.832   43.064   8.7588   1.2580   9.6248   1.8000   7.9320   1.7589  598.399   58.507  541.264   63.206 57.13519 86.12829 
1 1 1   10   18   42 o  280.930   40.432   2.2340   0.5349   2.3488   0.6490   1.9908   0.9444  298.098   42.344  263.762   68.890 34.33630 80.86366 
1 1 1   10   18   44 o  488.904   44.428   7.2588   0.9456   8.3951   1.1616   5.0273   1.6279  563.381   40.105  414.427   79.291 148.9537 88.85638 
1 1 1   10   18   46 o  357.199   44.635   3.9092   0.7207   4.4916   0.8853   2.7646   1.2412  410.711   41.926  303.687   78.811 107.0244 89.26933 
1 1 1   10   18   48 o  346.214   35.863   3.1759   0.6384   3.1759   0.6384   0.0000   0.0000  346.214   35.863  ?   ?       ?      ? 
1 1 1   10   18   50 o  244.821   41.116   1.8328   0.5052   2.0772   0.6148   1.3249   0.8863  276.992   43.171  212.650   69.988 64.34163 82.23154 
1 1 1   10   18   52 o  222.793   39.940   1.1943   0.3872   0.9849   0.4315   2.0592   0.8770  185.786   45.527  259.800   65.637 -74.01326 79.88039 
1 1 1   10   18   54 o  214.822   42.467   1.3976   0.4668   1.3866   0.5638   1.4215   0.8323  216.816   51.365  212.829   67.643 3.987457 84.93441 
1 1 1   10   19    1 o  1403.04   49.982   51.236   3.5969   55.310   5.0899   47.171   5.0836  1459.45   67.835  1346.64   73.426 112.8131 99.96494 
1 1 1   10   19    3 o  1187.32   39.061   36.602   1.9917   36.249   4.1818   36.706   2.2650  1181.45   68.846  1193.19   36.923 -11.73120 78.12264 
1 1 1   10   19    5 o  729.309   31.943   13.747   1.1929   13.545   1.7607   13.918   1.6219  724.205   47.289  734.414   42.955 -10.20825 63.88519 
1 1 1   10   19    7 o  480.065   31.352   5.9433   0.7734   6.0785   1.1152   5.8180   1.0736  485.307   44.696  474.822   43.978 10.48517 62.70399 
1 1 1   10   19    9 o  1310.13   30.271   44.301   2.0360   41.376   2.8668   47.278   2.8922  1266.33   44.033  1353.92   41.549 -87.58289 60.54109 
1 1 1   10   19   11 o  2249.28   29.527  130.420   3.4121  129.016   4.7262  131.947   4.9312  2236.76   41.098  2261.80   42.406 -25.03223 59.05382 
1 1 1   10   19   13 o  268.294   32.178   1.8873   0.4341   1.9311   0.6039   1.8406   0.6243  273.614   42.930  262.973   47.944 10.64093 64.35503 
1 1 1   10   19   15 o  2556.50   28.877  168.498   3.7884  167.844   5.1957  169.240   5.5357  2551.45   39.608  2561.56   42.033 -10.11206 57.75497 
1 1 1   10   19   17 o  1866.40   36.519   87.983   3.1670   85.376   3.7230   94.810   6.0243  1819.52   39.798  1913.27   61.244 -93.74426 73.03892 
1 1 1   10   19   19 o  836.629   29.032   18.170   1.2410   19.613   1.7111   16.569   1.8025  872.096   38.162  801.162   43.762 70.93365 58.06453 
1 1 1   10   19   21 o  1166.67   28.637   35.147   1.7150   35.529   2.3680   34.727   2.4872  1173.46   39.250  1159.87   41.710 13.59387 57.27311 
1 1 1   10   19   23 f  838.816   40.148   18.259   1.7280   19.651   2.4510   16.882   2.4365  870.899   54.741  806.733   58.746 64.16583 80.29697 
1 1 1   10   19   25 o  782.303   28.863   15.814   1.1602   15.854   1.6149   15.771   1.6679  783.393   40.096  781.212   41.528 2.181396 57.72530 
1 1 1   10   19   27 o  1149.72   28.752   34.223   1.6977   35.639   2.3833   32.764   2.4189  1174.10   39.483  1125.35   41.808 48.74866 57.50495 
1 1 1   10   19   29 f  654.926   41.591   11.194   1.3997   10.758   1.9459   11.662   2.0148  641.690   58.983  668.162   58.653 -26.47156 83.18179 
1 1 1   10   19   31 o  539.053   29.308   7.5426   0.8120   7.4476   1.1327   7.6430   1.1647  535.603   41.134  542.503   41.758 -6.900269 58.61547 
1 1 1   10   19   33 f  1032.63   29.066   27.737   1.5424   26.574   2.1653   28.935   2.1976  1010.49   41.678  1054.77   40.525 -44.28229 58.13214 
1 1 1   10   19   35 o  1168.95   37.274   37.215   2.0737   32.433   3.5647   39.660   2.5495  1104.45   62.778  1233.45   40.203 -128.9995 74.54778 
1 1 1   10   19   37 o  349.600   36.697   3.0779   0.6277   2.7650   0.7621   3.7375   1.1067  324.395   45.696  374.805   57.434 -50.40973 73.39488 
1 1 1   10   19   39 o  655.922   36.328   11.101   1.1632   10.421   1.4181   12.500   2.0338  629.020   43.849  682.823   57.933 -53.80365 72.65687 
1 1 1   10   19   41 o  272.853   44.334   2.0217   0.5573   1.9320   0.6524   2.2638   1.0717  265.351   49.648  280.355   73.465 -15.00418 88.66746 
1 1 1   10   19   43 o  612.195   37.547   9.8539   1.1119   9.3764   1.3470   10.875   1.9698  593.953   44.111  630.437   60.772 -36.48364 75.09310 
1 1 1   10   19   45 o  403.741   36.689   4.0855   0.7219   3.4535   0.8686   5.4973   1.2982  358.795   47.089  448.686   56.276 -89.89038 73.37814 
1 1 1   10   19   47 o  417.813   62.841   4.8916   1.3499   4.8916   1.3499   0.0000   0.0000  417.813   62.841  ?   ?       ?      ? 
1 1 1   10   19   49 o  219.853   41.295   1.2273   0.4457   0.9288   0.5275   1.9725   0.8333  181.018   53.171  258.688   63.198 -77.66908 82.59037 
1 1 1   10   19   51 o  219.617   39.179   1.5056   0.4118   1.6433   0.4667   1.0220   0.8749  247.482   36.683  191.752   69.240 55.73009 78.35717 
1 1 1   10   19   53 o  217.328   42.591   1.2518   0.4774   0.8552   0.5761   2.1213   0.8531  172.139   56.414  262.517   63.824 -90.37823 85.18290 
1 1 1   10   20    0 o  1649.19   48.299   71.333   4.0280   64.746   6.0087   76.709   5.4283  1577.47   74.466  1720.91   61.531 0.000000 0.000000 
1 1 1   10   20    2 o  1211.50   30.781   38.044   1.8560   37.176   3.0132   38.574   2.3560  1199.73   48.852  1223.27   37.462 -23.54590 61.56216 
1 1 1   10   20    4 o  1416.09   27.084   51.712   1.9660   51.510   2.8911   51.885   2.6815  1413.37   39.786  1418.82   36.760 -5.454102 54.16887 
1 1 1   10   20    6 o  895.862   32.000   20.775   1.4666   19.990   2.1607   21.446   1.9971  879.911   47.762  911.814   42.601 -31.90228 64.00040 
1 1 1   10   20    8 f  280.124   35.288   2.1343   0.4824   1.4122   0.6902   2.8240   0.6745  229.285   58.391  330.962   39.642 -101.6777 70.57633 
1 1 1   10   20   10 o  916.356   30.318   21.663   1.4270   20.460   2.0070   22.892   2.0294  890.559   43.834  942.152   41.897 -51.59283 60.63643 
1 1 1   10   20   12 o  1116.71   29.710   32.173   1.7038   32.392   2.3580   31.934   2.4645  1120.78   40.923  1112.64   43.083 8.135376 59.42057 
1 1 1   10   20   14 o  1463.98   29.119   55.096   2.1881   51.602   2.9990   59.072   3.1997  1414.51   41.238  1513.45   41.122 -98.93982 58.23730 
1 1 1   10   20   16 o  1450.09   39.158   55.512   2.5595   56.790   2.9936   52.038   4.9349  1484.01   39.237  1416.17   67.779 67.83411 78.31685 
1 1 1   10   20   18 o  895.203   36.459   21.544   1.5770   18.075   2.6092   23.541   1.9794  835.154   60.768  955.251   40.304 -120.0969 72.91897 
1 1 1   10   20   20 f  221.739   39.909   1.3974   0.4594   0.8923   0.7664   1.6807   0.5740  192.333   65.118  251.146   46.157 -58.81259 79.81776 
1 1 1   10   20   22 o  1334.68   39.908   46.166   2.7370   44.149   3.8393   48.251   3.9030  1304.88   57.228  1364.48   55.637 -59.59705 79.81569 
1 1 1   10   20   24 o  2726.29   28.613  192.049   4.0072  192.740   5.5614  191.304   5.7790  2731.67   39.599  2720.90   41.311 10.76929 57.22508 
1 1 1   10   20   26 o  376.422   30.688   3.7209   0.5821   4.5278   0.8187   2.8961   0.8277  418.593   38.040  334.251   48.167 84.34213 61.37676 
1 1 1   10   20   28 o  1307.21   35.617   44.001   2.2315   43.244   2.6948   45.653   3.9808  1292.14   40.564  1322.28   58.556 -30.14087 71.23423 
1 1 1   10   20   30 o  832.067   29.194   17.990   1.2474   18.759   1.7513   17.199   1.7773  850.351   40.058  813.783   42.479 36.56793 58.38746 
1 1 1   10   20   32 o  623.521   29.531   10.115   0.9467   10.038   1.3358   10.192   1.3418  621.149   41.829  625.894   41.698 -4.744873 59.06242 
1 1 1   10   20   34 o  577.608   30.228   8.7141   0.8958   9.4069   1.2739   8.0362   1.2601  600.639   41.252  554.577   44.193 46.06189 60.45506 
1 1 1   10   20   36 o  678.465   36.007   11.877   1.1886   11.338   1.4480   12.988   2.0811  657.996   42.803  698.934   57.914 -40.93817 72.01422 
1 1 1   10   20   38 f  452.602   31.177   5.4112   0.7177   4.4687   1.0036   6.3981   1.0269  411.267   47.462  493.937   40.439 -82.67032 62.35374 
1 1 1   10   20   40 o  351.595   48.497   3.5626   0.8466   4.4734   1.1618   2.5314   1.2362  408.083   55.373  295.108   79.635 112.9748 96.99448 
1 1 1   10   20   42 o  639.680   38.222   10.912   1.1772   10.675   1.4286   11.413   2.0779  634.173   43.815  645.188   62.642 -11.01514 76.44472 
1 1 1   10   20   44 o  811.237   37.610   17.686   1.4711   17.415   1.7909   18.248   2.5796  808.916   43.063  813.557   61.672 -4.640442 75.21910 
1 1 1   10   20   46 o  248.915   67.864   1.8132   0.8924   1.8132   0.8924   0.0000   0.0000  248.915   67.864  ?   ?       ?      ? 
1 1 1   10   20   48 o  166.271   38.261   0.7571   0.3615   0.8019   0.4332   0.6541   0.6562  169.164   47.728  163.379   59.814 5.785034 76.52294 
1 1 1   10   20   50 f  193.102   42.016   1.0064   0.4347   0.8439   0.5261   1.3558   0.7715  172.677   53.629  213.527   64.693 -40.84943 84.03154 
1 1 1   10   20   52 o  164.017   37.139   0.7477   0.3187   0.7604   0.3601   0.7021   0.6847  163.568   42.456  164.466   60.948 -0.8980713 74.27771 
1 1 1   10   20   54 o  199.885   44.103   1.1539   0.4411   1.1539   0.4411   0.0000   0.0000  199.885   44.103  ?   ?       ?      ? 
1 1 1   10   21    1 o  1990.19   30.532  102.414   3.0836  103.707   4.0619  100.656   4.7372  2005.63   39.392  1974.74   46.660 30.88257 61.06427 
1 1 1   10   21    3 o  552.485   27.910   7.8729   0.7908   7.8207   1.1583   7.9185   1.0822  550.709   40.910  554.261   37.978 -3.552246 55.82082 
1 1 1   10   21    5 o  1691.93   29.313   73.803   2.5390   73.606   3.4341   74.041   3.7709  1689.68   39.531  1694.18   43.293 -4.496948 58.62577 
1 1 1   10   21    7 o  503.375   32.549   6.5654   0.8381   6.2227   1.2291   6.8633   1.1457  490.928   48.695  515.821   43.203 -24.89355 65.09762 
1 1 1   10   21    9 o  1786.32   30.742   82.271   2.8218   86.097   4.0376   78.617   3.9454  1826.97   42.986  1745.67   43.960 81.29346 61.48363 
1 1 1   10   21   11 o  457.947   31.190   5.4301   0.7314   5.9102   1.0256   4.9332   1.0433  478.709   41.673  437.185   46.418 41.52423 62.38020 
1 1 1   10   21   13 o  1401.18   29.626   50.539   2.1320   47.981   2.9400   53.376   3.0964  1363.85   41.928  1438.50   41.867 -74.64795 59.25234 
1 1 1   10   21   15 o  2428.22   41.077  160.496   4.4135  169.139   5.1594  136.918   8.5214  2561.00   39.185  2295.44   72.207 265.5574 82.15413 
1 1 1   10   21   17 o  1032.93   35.161   27.297   1.8007   28.627   3.0018   26.549   2.2506  1051.69   55.517  1014.17   43.164 37.52252 70.32252 
1 1 1   10   21   19 o  1119.93   36.192   33.413   1.9731   29.208   3.2578   35.849   2.4797  1061.33   59.703  1178.52   40.925 -117.1838 72.38338 
1 1 1   10   21   21 o  415.380   35.638   4.5094   0.7203   4.6065   0.8909   4.3260   1.2237  422.374   41.027  408.386   58.284 13.98785 71.27564 
1 1 1   10   21   23 o  2617.58   28.734  176.721   3.8636  168.645   5.3390  185.601   5.5981  2554.89   40.646  2680.27   40.625 -125.3745 57.46755 
1 1 1   10   21   25 o  1220.66   29.097   38.667   1.8197   41.214   2.5317   35.944   2.6173  1262.77   38.996  1178.56   43.195 84.21289 58.19391 
1 1 1   10   21   27 o  588.505   29.500   8.9604   0.8916   8.4050   1.2377   9.5597   1.2856  569.512   42.271  607.498   41.161 -37.98602 59.00014 
1 1 1   10   21   29 f  726.534   34.917   13.344   1.2497   15.177   2.1483   12.406   1.5363  761.977   54.838  691.091   43.239 70.88544 69.83426 
1 1 1   10   21   31 o  899.040   29.261   21.020   1.3518   21.062   1.8831   20.975   1.9417  900.139   40.691  897.940   42.060 2.199524 58.52160 
1 1 1   10   21   33 o  1095.52   29.299   31.341   1.6465   33.524   2.3191   29.122   2.3381  1134.66   39.754  1056.38   43.050 78.27551 58.59737 
1 1 1   10   21   35 o  466.451   39.150   6.0278   0.8553   6.5012   1.0436   5.0587   1.4930  498.818   40.692  434.083   66.897 64.73441 78.30069 
1 1 1   10   21   37 f  383.669   37.090   3.7437   0.7014   4.4926   1.2133   3.3677   0.8597  410.025   57.557  357.313   46.796 52.71216 74.18006 
1 1 1   10   21   39 o  594.978   45.268   9.6002   1.3539   7.1822   1.8484   12.399   1.9887  510.921   70.369  679.035   56.966 -168.1137 90.53646 
1 1 1   10   21   41 o  803.023   30.352   17.088   1.2518   17.971   1.7728   16.211   1.7680  824.306   41.831  781.739   43.989 42.56647 60.70319 
1 1 1   10   21   43 o  355.305   40.780   3.3288   0.6737   3.0750   0.8029   3.9322   1.2381  339.253   46.033  371.358   67.327 -32.10486 81.55995 
1 1 1   10   21   45 o  423.773   50.236   5.2084   1.0435   3.8807   1.4596   6.5968   1.4925  358.857   81.029  488.689   59.403 -129.8316 100.4712 
1 1 1   10   21   47 o  285.230   44.626   2.7402   0.6222   3.3279   0.7386   1.3037   1.1548  352.613   40.742  217.848   79.411 134.7646 89.25283 
1 1 1   10   21   49 o  325.916   48.555   3.1990   0.8050   4.0254   1.1359   2.3652   1.1409  377.067   58.594  274.765   77.440 102.3024 97.10928 
1 1 1   10   21   51 f  405.258   40.565   4.4471   0.8001   3.9258   0.9655   5.5902   1.4297  374.493   50.147  436.023   63.777 -61.53046 81.13097 
1 1 1   10   21   53 o  320.895   43.753   3.0771   0.6731   2.9836   0.8311   3.2552   1.1473  323.759   49.930  318.030   71.864 5.728729 87.50648 
1 1 1   10   22    0 o  207.623   60.055   1.5780   0.6513   1.2736   0.9800   1.8187   0.8716  182.934   88.884  232.313   80.784 0.000000 0.000000 
1 1 1   10   22    2 f  2482.21   30.199  158.318   3.8282  153.967   5.0966  163.952   5.7991  2443.63   40.567  2520.78   44.746 -77.15820 60.39795 
1 1 1   10   22    4 o  798.850   27.548   16.416   1.1295   17.011   1.6566   15.900   1.5440  812.296   39.667  785.403   38.237 26.89282 55.09558 
1 1 1   10   22    6 o  1053.38   29.365   28.614   1.5824   28.602   2.1337   28.629   2.3588  1053.30   39.402  1053.46   43.551 -0.1575928 58.72942 
1 1 1   10   22    8 o  782.383   32.307   15.967   1.2854   13.893   1.8708   17.822   1.7692  733.457   49.612  831.309   41.396 -97.85193 64.61372 
1 1 1   10   22   10 o  338.857   32.368   2.9634   0.5639   3.0013   0.8010   2.9262   0.7939  341.004   45.687  336.709   45.863 4.295044 64.73588 
1 1 1   10   22   12 o  1076.08   30.182   29.867   1.6695   29.444   2.3341   30.311   2.3889  1068.30   42.496  1083.87   42.870 -15.57153 60.36334 
1 1 1   10   22   14 o  949.925   29.732   23.284   1.4504   23.291   2.0036   23.276   2.1022  950.169   41.015  949.682   43.055 0.4861450 59.46393 
1 1 1   10   22   16 o  898.637   44.456   20.679   2.0336   19.174   2.6603   22.795   3.1544  860.144   60.158  937.131   65.470 -76.98651 88.91219 
1 1 1   10   22   18 o  1685.67   35.087   73.448   2.9274   73.633   4.8480   73.341   3.6725  1685.96   55.930  1685.37   42.384 0.5933838 70.17486 
1 1 1   10   22   20 o  1141.83   34.530   33.843   1.9107   34.069   2.3445   33.395   3.2973  1148.78   39.696  1134.89   56.512 13.89636 69.06030 
1 1 1   10   22   22 o  739.016   35.786   14.062   1.3037   14.458   2.1921   13.846   1.6217  746.219   57.138  731.813   43.102 14.40564 71.57214 
1 1 1   10   22   24 o  1012.61   29.163   26.585   1.5137   27.602   2.0884   25.458   2.1973  1033.35   39.309  991.865   43.089 41.48486 58.32507 
1 1 1   10   22   26 o  1794.71   28.921   83.312   2.6668   80.076   3.6932   86.838   3.8549  1758.36   40.853  1831.07   40.948 -72.70789 57.84200 
1 1 1   10   22   28 o  1816.19   41.674   86.388   3.8859   85.717   5.3472   87.139   5.6568  1809.56   57.475  1822.82   60.362 -13.25671 83.34825 
1 1 1   10   22   30 o  504.590   29.961   6.6143   0.7767   6.3743   1.0740   6.8775   1.1246  495.031   42.199  514.148   42.543 -19.11649 59.92203 
1 1 1   10   22   32 o  874.883   29.429   19.946   1.3235   19.756   1.8541   20.144   1.8899  870.690   41.420  879.078   41.817 -8.387939 58.85778 
1 1 1   10   22   34 o  460.329   43.469   5.6459   1.0284   5.8458   1.4620   5.4502   1.4469  468.599   60.683  452.058   62.255 16.54099 86.93790 
1 1 1   10   22   36 o  539.961   30.712   7.6982   0.8471   8.5843   1.1886   6.7838   1.2074  572.482   40.385  507.440   46.282 65.04160 61.42417 
1 1 1   10   22   38 o  265.362   42.619   2.0060   0.5503   2.1531   0.6690   1.6979   0.9679  285.347   45.599  245.378   72.015 39.96863 85.23757 
1 1 1   10   22   40 o  624.042   30.971   10.335   0.9920   10.811   1.3874   9.8378   1.4188  639.427   42.203  608.657   45.339 30.76953 61.94165 
1 1 1   10   22   42 o  537.568   31.188   7.7318   0.8557   8.6724   1.2016   6.7638   1.2190  572.232   40.842  502.905   47.146 69.32666 62.37663 
1 1 1   10   22   44 o  372.646   44.086   4.0901   0.7281   4.3649   0.8705   3.4503   1.3284  404.876   41.820  340.416   77.624 64.46027 88.17228 
1 1 1   10   22   46 o  470.917   45.527   5.9827   1.1023   5.9827   1.1023   0.0000   0.0000  470.917   45.527  ?   ?       ?      ? 
1 1 1   10   22   48 o  382.297   50.502   4.3627   0.9679   4.6627   1.3405   4.0360   1.3989  402.661   64.755  361.934   77.516 40.72733 101.0045 
1 1 1   10   22   50 o  289.168   47.304   2.5395   0.6465   2.5782   0.7614   2.4393   1.2241  304.775   48.591  273.561   81.177 31.21411 94.60873 
1 1 1   10   22   52 o  191.925   44.011   0.9890   0.4465   0.8364   0.5161   1.4432   0.8905  169.658   53.186  214.193   70.136 -44.53442 88.02220 
1 1 1   10   23    1 o  656.611   32.362   11.510   1.0529   13.158   1.3863   9.2624   1.6186  714.503   37.738  598.719   52.584 115.7844 64.72440 
1 1 1   10   23    3 o  435.943   28.471   4.8946   0.6373   5.0105   0.9285   4.7913   0.8764  440.794   40.973  431.092   39.541 9.701538 56.94120 
1 1 1   10   23    5 f  2554.89   27.381  168.291   3.5873  168.041   5.2642  168.508   4.9015  2552.85   40.109  2556.93   37.286 -4.077393 54.76239 
1 1 1   10   23    7 o  1774.52   32.192   81.595   2.9210   77.601   4.2975   85.024   3.9824  1733.57   48.218  1815.47   42.666 -81.90039 64.38459 
1 1 1   10   23    9 o  3142.90   31.308  254.931   5.0544  254.452   7.2992  255.373   7.0058  3139.80   45.217  3146.00   43.314 -6.197266 62.61551 
1 1 1   10   23   11 o  1203.41   30.704   37.374   1.8997   37.430   2.6934   37.318   2.6797  1204.31   43.500  1202.52   43.344 1.791748 61.40804 
1 1 1   10   23   13 o  983.322   39.613   24.201   1.7997   23.210   2.1028   26.916   3.4795  948.281   43.131  1018.36   66.457 -70.08301 79.22675 
1 1 1   10   23   15 f  772.768   46.372   15.751   1.8028   16.977   2.3784   14.096   2.7640  809.584   57.141  735.953   73.050 73.63043 92.74395 
1 1 1   10   23   17 o  1704.85   39.847   75.397   3.4884   71.876   4.9670   78.825   4.9004  1665.12   58.020  1744.58   54.635 -79.45984 79.69499 
1 1 1   10   23   19 o  641.498   35.089   10.804   1.0905   11.133   1.3464   10.178   1.8595  656.637   39.881  626.359   57.744 30.27789 70.17753 
1 1 1   10   23   21 o  1693.89   29.048   73.958   2.5259   70.865   3.4576   77.498   3.6988  1656.11   40.608  1731.67   41.546 -75.56201 58.09550 
1 1 1   10   23   23 o  189.739   35.162   0.9738   0.3494   1.1114   0.4797   0.8181   0.5101  203.113   46.884  176.365   52.416 26.74835 70.32402 
1 1 1   10   23   25 o  527.305   30.261   7.1932   0.8196   6.8563   1.1309   7.5658   1.1895  514.330   42.768  540.281   42.822 -25.95020 60.52127 
1 1 1   10   23   27 o  169.231   39.845   0.6872   0.3855   0.6415   0.4669   0.7849   0.6833  158.538   50.696  179.923   61.486 -21.38498 79.69038 
1 1 1   10   23   29 o  1019.60   29.416   27.077   1.5391   28.300   2.1478   25.787   2.2068  1043.72   40.025  995.467   43.119 48.25818 58.83240 
1 1 1   10   23   31 o  695.997   29.592   12.619   1.0586   12.341   1.4769   12.912   1.5182  688.159   41.743  703.835   41.957 -15.67645 59.18497 
1 1 1   10   23   33 o  590.531   42.534   9.2783   1.2898   8.7512   1.8226   9.8071   1.8254  573.157   61.852  607.905   58.404 -34.74841 85.06895 
1 1 1   10   23   35 o  228.791   33.820   1.4275   0.3915   1.1354   0.5659   1.6956   0.5421  203.226   53.447  254.357   41.454 -51.13130 67.63921 
1 1 1   10   23   37 o  836.977   30.374   18.489   1.2955   15.499   1.8062   21.658   1.8592  765.703   45.882  908.251   39.816 -142.5483 60.74868 
1 1 1   10   23   39 o  496.423   36.930   6.2242   0.9108   8.2069   1.5527   5.1842   1.1245  552.209   54.692  440.638   49.638 111.5721 73.85905 
1 1 1   10   23   41 o  179.113   34.951   0.8918   0.3446   1.1716   0.4748   0.5804   0.5009  205.842   46.020  152.385   52.616 53.45776 69.90235 
1 1 1   10   23   43 o  173.771   36.377   0.8133   0.3513   1.0441   0.5233   0.6241   0.4739  193.051   51.696  154.491   51.191 38.55974 72.75312 
1 1 1   10   23   45 o  223.743   50.905   1.4121   0.5724   1.4121   0.5724   0.0000   0.0000  223.743   50.905  ?   ?       ?      ? 
1 1 1   10   23   47 o  304.390   42.126   2.3681   0.6178   1.7851   0.7422   3.6833   1.1147  247.563   59.125  361.217   60.022 -113.6541 84.25195 
1 1 1   10   23   49 o  257.250   45.285   1.9544   0.5650   1.8974   0.6796   2.0820   1.0167  256.300   53.309  258.201   73.219 -1.900787 90.57014 
1 1 1   10   23   51 o  330.054   44.403   3.2751   0.6786   3.2936   0.8177   3.2341   1.2165  343.915   46.247  316.193   75.813 27.72134 88.80518 
1 1 1   10   24    0 o  1025.34   49.153   27.491   2.5561   27.889   3.7737   27.154   3.4745  1031.62   71.955  1019.06   66.980 0.000000 0.000000 
1 1 1   10   24    2 o  2655.91   30.765  182.321   4.1549  184.255   5.5010  179.752   6.3397  2673.09   40.027  2638.73   46.731 34.35791 61.52998 
1 1 1   10   24    4 o  994.965   30.185   25.542   1.5374   25.571   2.0802   25.508   2.2820  995.744   40.634  994.186   44.647 1.557678 60.36937 
1 1 1   10   24    6 o  934.821   33.996   22.403   1.5590   22.024   1.9267   23.121   2.6530  924.087   40.555  945.554   54.574 -21.46722 67.99238 
1 1 1   10   24    8 o  1409.89   40.132   51.725   2.6537   50.736   4.8556   52.146   3.1689  1398.28   67.543  1421.49   43.360 -23.20935 80.26308 
1 1 1   10   24   10 o  769.934   39.823   15.595   1.4548   14.674   2.5796   16.024   1.7617  751.938   66.726  787.930   43.489 -35.99146 79.64685 
1 1 1   10   24   12 o  1564.39   30.710   63.193   2.4694   64.676   3.4860   61.698   3.4984  1582.92   42.835  1545.87   44.018 37.04919 61.42025 
1 1 1   10   24   14 o  654.419   72.316   11.148   2.4331   0.0000   0.0000   11.148   2.4331  ?   ?   654.419   72.316      ?      ? 
1 1 1   10   24   16 o  1407.98   40.324   51.405   2.9157   50.947   4.2138   51.826   4.0386  1401.66   58.474  1414.31   55.542 -12.64551 80.64806 
1 1 1   10   24   18 o  1361.51   34.264   47.460   2.2882   46.305   2.8230   49.672   3.9069  1338.91   41.010  1384.11   54.902 -45.19751 68.52778 
1 1 1   10   24   20 o  1934.60   29.362   96.945   2.9108   99.831   3.9954   93.681   4.2494  1965.84   39.532  1903.36   43.424 62.47192 58.72334 
1 1 1   10   24   22 o  1922.30   29.222   95.708   2.8811   97.384   3.9603   93.825   4.1991  1940.66   39.693  1903.94   42.897 36.72449 58.44385 
1 1 1   10   24   24 o  610.250   30.017   9.6257   0.9404   9.1368   1.2894   10.181   1.3746  593.763   42.239  626.736   42.660 -32.97266 60.03382 
1 1 1   10   24   26 o  506.938   41.356   7.0859   0.9486   7.5546   1.1271   5.9475   1.7567  539.645   40.624  474.231   72.049 65.41434 82.71258 
1 1 1   10   24   28 o  1731.92   35.068   76.626   3.0084   84.747   5.0784   72.235   3.7341  1797.92   54.939  1665.92   43.598 131.9985 70.13644 
1 1 1   10   24   30 f  299.056   35.265   2.4494   0.5138   2.9967   0.7062   1.8337   0.7490  339.260   40.490  258.852   57.750 80.40796 70.53001 
1 1 1   10   24   32 o  895.934   41.971   21.324   1.9309   22.593   2.7391   20.069   2.7224  923.242   57.706  868.626   60.961 54.61536 83.94203 
1 1 1   10   24   34 o  246.699   35.094   1.6666   0.4294   1.4962   0.6127   1.8311   0.6019  233.341   52.362  260.057   46.739 -26.71631 70.18738 
1 1 1   10   24   36 o  736.408   30.062   14.258   1.1373   13.497   1.5830   15.070   1.6350  715.925   43.007  756.892   42.016 -40.96686 60.12466 
1 1 1   10   24   38 o  256.865   48.715   1.8913   0.6532   1.9685   0.8573   1.7846   1.0084  263.627   63.914  250.104   73.537 13.52295 97.43056 
1 1 1   10   24   40 o  443.035   31.335   5.2439   0.7094   5.8063   0.9939   4.6600   1.0128  468.339   41.278  417.731   47.156 50.60788 62.67050 
1 1 1   10   24   42 o  576.493   31.695   8.9066   0.9253   7.0736   1.2863   10.872   1.3321  512.791   48.790  640.194   40.472 -127.4031 63.39094 
1 1 1   10   24   44 o  320.799   47.718   2.9922   0.7621   3.2919   1.1013   2.7169   1.0556  337.393   65.855  304.205   69.073 33.18759 95.43582 
1 1 1   10   24   46 o  170.868   34.369   0.8193   0.3162   0.7974   0.4407   0.8426   0.4540  168.664   48.335  173.073   48.874 -4.409607 68.73779 
1 1 1   10   24   48 o  127.172   36.911   0.2294   0.3786   0.3395   0.4605   0.0000   0.6647  128.478   49.449  125.865   54.813 2.612732 73.82211 
1 1 1   10   24   50 o  365.121   48.852   4.2677   0.7972   4.5498   0.9491   3.5916   1.4692  405.322   45.546  324.921   86.439 80.40094 97.70396 
1 1 1   10   24   52 o  223.956   41.903   1.5512   0.4590   1.5769   0.5376   1.4819   0.8815  233.348   46.445  214.565   69.760 18.78294 83.80663 
1 1 1   10   25    1 o  1799.31   31.113   83.582   2.8366   83.706   3.7115   83.407   4.3985  1801.53   40.071  1797.09   47.606 4.438477 62.22569 
1 1 1   10   25    3 o  1033.87   28.322   27.674   1.4994   25.937   2.1738   29.250   2.0710  1002.62   42.170  1065.13   37.820 -62.50781 56.64496 
1 1 1   10   25    5 o  1730.17   27.726   77.184   2.4610   77.471   3.6036   76.932   3.3691  1733.00   40.445  1727.33   37.937 5.676147 55.45291 
1 1 1   10   25    7 o  481.470   30.676   5.9978   0.7551   6.1319   1.0218   5.8365   1.1207  487.527   40.764  475.413   45.852 12.11398 61.35260 
1 1 1   10   25    9 o  1719.03   31.828   76.190   2.8094   78.556   4.0984   74.093   3.8587  1744.04   45.707  1694.02   44.305 50.02478 63.65582 
1 1 1   10   25   11 o  1827.65   31.263   86.211   2.9367   88.529   4.2154   84.025   4.0935  1851.49   44.284  1803.80   44.140 47.69019 62.52550 
1 1 1   10   25   13 o  1115.68   71.705   32.407   4.1130   0.0000   0.0000   32.407   4.1130  ?   ?   1115.68   71.705      ?      ? 
1 1 1   10   25   15 o  431.811   35.404   4.7250   0.7670   4.3979   0.9693   5.2727   1.2544  412.480   45.706  451.142   54.080 -38.66235 70.80759 
1 1 1   10   25   17 o  789.672   30.276   16.168   1.2252   17.044   1.6984   15.216   1.7692  812.275   40.668  767.070   44.862 45.20569 60.55184 
1 1 1   10   25   19 o  1122.71   29.791   32.556   1.7163   32.114   2.3489   33.062   2.5139  1114.71   40.986  1130.70   43.245 -15.99670 59.58157 
1 1 1   10   25   21 o  265.382   35.515   1.9282   0.4647   2.3769   0.6322   1.4007   0.6854  303.120   40.566  227.643   58.306 75.47672 71.02988 
1 1 1   10   25   23 o  300.360   33.710   2.3936   0.5048   2.6184   0.6983   2.1475   0.7305  317.801   42.737  282.919   52.143 34.88196 67.41964 
1 1 1   10   25   25 o  1290.77   29.435   43.216   1.9504   42.742   2.6790   43.750   2.8450  1283.55   40.597  1297.98   42.632 -14.43494 58.86985 
1 1 1   10   25   27 o  1149.65   36.056   34.666   2.0416   34.179   3.4011   34.940   2.5526  1140.47   58.005  1158.84   42.844 -18.36804 72.11249 
1 1 1   10   25   29 o  179.495   35.965   0.8722   0.3477   0.9514   0.4667   0.7734   0.5213  187.187   48.205  171.803   53.388 15.38414 71.93076 
1 1 1   10   25   31 o  697.831   42.853   12.972   1.5314   14.284   2.1687   11.667   2.1628  734.261   57.448  661.400   63.602 72.86133 85.70627 
1 1 1   10   25   33 f  428.164   31.914   4.8118   0.7020   4.5665   0.9743   5.0766   1.0123  416.759   45.473  439.568   44.792 -22.80847 63.82899 
1 1 1   10   25   35 o  585.438   31.063   9.0254   0.9344   8.5972   1.3051   9.4758   1.3384  571.028   44.453  599.848   43.400 -28.82019 62.12581 
1 1 1   10   25   37 o  142.428   37.858   0.3717   0.3494   0.2733   0.4154   0.6095   0.6461  121.999   46.960  162.857   59.393 -40.85793 75.71526 
1 1 1   10   25   39 o  392.498   32.478   4.1003   0.6541   3.7620   0.9111   4.4601   0.9396  375.420   47.205  409.577   44.621 -34.15680 64.95671 
1 1 1   10   25   41 o  218.280   36.130   1.3305   0.4024   1.0168   0.5589   1.6682   0.5799  190.835   54.348  245.725   47.622 -54.88985 72.26060 
1 1 1   10   25   43 o  454.087   45.496   5.8105   1.0530   6.5180   1.4749   5.0749   1.5038  485.387   59.101  422.786   69.185 62.60019 90.99150 
1 1 1   10   25   45 o  141.712   32.773   0.4668   0.3138   0.8761   0.4299   0.0000   0.4591  176.579   46.653  106.844   46.040 69.73516 65.54514 
1 1 1   10   25   47 o  482.116   48.541   6.7688   1.1934   5.7198   1.6213   8.0093   1.7631  438.770   71.872  525.461   65.262 -86.69122 97.08138 
1 1 1   10   25   49 f  181.350   38.274   1.0696   0.4202   1.3659   0.4748   0.0000   0.9021  219.927   43.533  142.774   62.963 77.15350 76.54769 
1 1 1   10   25   51 o  239.567   41.982   1.2229   0.5010   0.5628   0.5737   3.3409   1.0278  148.995   55.677  330.138   62.850 -181.1429 83.96442 
1 1 1   10   26    0 o  862.853   50.731   19.756   2.1962   18.427   3.2378   20.889   2.9889  833.565   77.066  892.141   65.994 0.000000 0.000000 
1 1 1   10   26    2 o  499.825   34.747   6.4336   0.8911   7.0054   1.3017   5.9293   1.2225  520.680   48.628  478.970   49.645 41.71008 69.49325 
1 1 1   10   26    4 o  924.519   28.409   22.137   1.3445   20.838   1.9574   23.297   1.8499  898.559   42.370  950.478   37.856 -51.91895 56.81803 
1 1 1   10   26    6 o  176.955   33.116   0.8572   0.3208   0.4764   0.4831   1.1574   0.4290  145.781   51.582  208.130   41.545 -62.34926 66.23183 
1 1 1   10   26    8 o  207.959   37.820   1.2030   0.4155   0.7897   0.6475   1.4925   0.5418  179.590   59.854  236.328   46.248 -56.73859 75.63983 
1 1 1   10   26   10 o  611.331   51.281   9.8371   1.5928   10.723   2.1625   8.7863   2.3549  642.476   65.469  580.187   78.947 62.28851 102.5615 
1 1 1   10   26   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   26   14 o  1283.70   35.447   42.933   2.2587   43.747   2.8603   41.585   3.6814  1301.19   42.756  1266.21   56.550 34.97974 70.89417 
1 1 1   10   26   16 o  861.004   30.468   19.166   1.3478   19.198   1.8737   19.133   1.9403  861.826   42.287  860.182   43.875 1.644287 60.93569 
1 1 1   10   26   18 o  1029.18   30.401   27.499   1.6022   29.033   2.2126   25.809   2.3233  1059.80   40.607  998.553   45.254 61.24719 60.80225 
1 1 1   10   26   20 o  383.474   31.451   3.7985   0.6189   3.4926   0.8512   4.1416   0.9013  367.101   45.101  399.846   43.846 -32.74548 62.90123 
1 1 1   10   26   22 o  1290.85   29.662   43.195   1.9653   43.164   2.7019   43.230   2.8637  1290.67   40.718  1291.03   43.145 -0.3614502 59.32471 
1 1 1   10   26   24 o  544.146   30.484   7.6992   0.8516   7.8442   1.1801   7.5415   1.2301  549.675   41.759  538.617   44.421 11.05768 60.96799 
1 1 1   10   26   26 o  344.618   49.425   3.3316   0.8370   3.7651   1.0800   2.6797   1.3245  378.837   55.448  310.398   81.834 68.43973 98.84995 
1 1 1   10   26   28 o  474.535   31.463   5.9586   0.7561   6.8793   1.0467   4.9536   1.0935  514.159   39.595  434.911   48.907 79.24854 62.92537 
1 1 1   10   26   30 o  641.972   42.900   10.951   1.4156   11.257   2.0238   10.658   1.9809  650.816   60.483  633.128   60.855 17.68835 85.79925 
1 1 1   10   26   32 o  244.711   37.479   1.6402   0.4688   2.0406   0.6554   1.2207   0.6709  278.580   45.761  210.842   59.368 67.73735 74.95731 
1 1 1   10   26   34 o  691.184   30.534   12.571   1.0814   11.249   1.5078   13.972   1.5518  653.117   44.903  729.252   41.390 -76.13519 61.06843 
1 1 1   10   26   36 o  279.777   45.350   2.2721   0.6130   2.4518   0.7362   1.8659   1.1070  303.830   47.128  255.724   77.495 48.10605 90.70028 
1 1 1   10   26   38 o  906.981   30.496   21.808   1.4218   21.464   1.9873   22.169   2.0349  899.762   42.961  914.199   43.295 -14.43719 60.99230 
1 1 1   10   26   40 o  514.155   31.017   7.0162   0.8179   6.3804   1.1223   7.7365   1.1944  489.085   44.632  539.226   43.084 -50.14157 62.03423 
1 1 1   10   26   42 o  608.424   43.926   10.301   1.3739   10.270   1.9537   10.330   1.9325  607.190   62.583  609.659   61.655 -2.468750 87.85200 
1 1 1   10   26   44 o  285.264   35.957   2.2514   0.5124   1.8795   0.7056   2.6663   0.7454  256.685   55.113  313.844   46.197 -57.15817 71.91381 
1 1 1   10   26   46 o  363.655   33.211   3.6011   0.6192   3.2644   0.8451   3.9912   0.9097  345.081   47.636  382.230   46.290 -37.14932 66.42246 
1 1 1   10   26   48 o  301.947   35.155   2.5424   0.5453   2.4960   0.7529   2.5936   0.7907  299.439   48.904  304.456   50.517 -5.016724 70.31041 
1 1 1   10   26   50 o  139.414   40.112   0.3540   0.3589   0.3506   0.3912   0.3721   0.9020  122.980   45.969  155.849   65.748 -32.86917 80.22430 
1 1 1   10   27    1 o  1291.14   34.503   43.081   2.2896   43.583   3.2875   42.608   3.1906  1298.38   49.249  1283.90   48.336 14.47803 69.00587 
1 1 1   10   27    3 o  1058.21   28.444   28.831   1.5456   30.729   2.2456   27.122   2.1306  1091.25   40.025  1025.17   40.425 66.08435 56.88743 
1 1 1   10   27    5 o  1543.20   34.302   61.590   2.7011   61.404   4.0736   61.736   3.6085  1540.58   51.430  1545.82   45.404 -5.242310 68.60477 
1 1 1   10   27    7 o  955.835   34.241   23.650   1.6670   23.422   2.5295   23.826   2.2163  951.356   51.716  960.313   44.891 -8.957520 68.48163 
1 1 1   10   27    9 o  1585.59   69.413   65.430   5.6585   65.430   5.6585   0.0000   0.0000  1585.59   69.413  ?   ?       ?      ? 
1 1 1   10   27   11 o  750.687   64.185   14.650   2.4772   14.650   2.4772   0.0000   0.0000  750.687   64.185  ?   ?       ?      ? 
1 1 1   10   27   13 o  1078.47   31.414   30.065   1.7413   31.118   2.4848   29.050   2.4409  1097.06   44.055  1059.88   44.794 37.18164 62.82837 
1 1 1   10   27   15 o  982.906   30.977   25.014   1.5635   26.130   2.1959   23.866   2.2267  1005.34   42.484  960.470   45.092 44.87128 61.95316 
1 1 1   10   27   17 o  266.459   36.659   1.9276   0.4865   2.4890   0.6793   1.3363   0.6971  310.158   42.602  222.760   59.672 87.39812 73.31886 
1 1 1   10   27   19 o  1195.11   30.118   36.938   1.8490   35.590   2.5503   38.432   2.6845  1172.22   42.317  1218.00   42.870 -45.78613 60.23690 
1 1 1   10   27   21 o  807.736   30.310   16.975   1.2541   17.648   1.7239   16.218   1.8278  825.171   40.634  790.302   44.984 34.86938 60.61959 
1 1 1   10   27   23 o  1182.17   29.935   36.353   1.8152   37.160   2.5007   35.454   2.6390  1196.54   40.650  1167.80   43.955 28.74084 59.87020 
1 1 1   10   27   25 o  735.785   44.807   14.209   1.6778   13.706   2.2048   14.900   2.5862  721.600   59.429  749.969   67.074 -28.36902 89.61447 
1 1 1   10   27   27 o  1124.63   30.037   33.080   1.7305   34.609   2.3863   31.384   2.5133  1152.94   40.258  1096.32   44.590 56.61865 60.07439 
1 1 1   10   27   29 o  517.560   45.270   7.2680   1.1640   5.1582   1.6353   9.4347   1.6573  437.325   72.732  597.794   53.923 -160.4696 90.54086 
1 1 1   10   27   31 o  351.505   31.855   3.2579   0.5732   3.4117   0.7881   3.0850   0.8353  360.768   42.489  342.241   47.471 18.52744 63.70918 
1 1 1   10   27   33 o  335.517   35.619   3.0635   0.5867   2.3929   0.8315   3.7284   0.8279  294.569   56.965  376.465   42.775 -81.89590 71.23728 
1 1 1   10   27   35 o  276.438   37.346   2.1477   0.5152   3.3435   0.7436   1.0432   0.7146  356.325   40.589  196.551   62.702 159.7738 74.69257 
1 1 1   10   27   37 f  807.633   37.556   17.283   1.4848   18.496   2.5506   16.661   1.8262  823.480   60.244  791.785   44.860 31.69476 75.11175 
1 1 1   10   27   39 o  236.554   37.014   1.5728   0.4387   1.7386   0.6099   1.3951   0.6314  250.629   49.089  222.480   55.412 28.14885 74.02858 
1 1 1   10   27   41 o  350.512   43.914   3.6387   0.7148   2.9187   1.2055   4.0291   0.8877  313.115   75.714  387.909   44.509 -74.79346 87.82725 
1 1 1   10   27   43 o  530.307   32.703   7.5829   0.8760   5.8616   1.1988   9.5552   1.2832  463.478   50.308  597.135   41.798 -133.6570 65.40644 
1 1 1   10   27   45 o  357.451   35.831   3.5886   0.6205   2.5774   0.8619   4.6766   0.8940  298.602   58.231  416.300   41.768 -117.6984 71.66177 
1 1 1   10   27   47 o  203.631   41.742   1.2808   0.4907   0.6843   0.7997   1.6412   0.6215  169.148   65.144  238.114   52.209 -68.96602 83.48357 
1 1 1   10   27   49 o  321.802   36.614   2.9995   0.5850   3.2944   0.8051   2.6695   0.8514  343.948   45.527  299.655   57.355 44.29288 73.22758 
1 1 1   10   28    0 o  1201.91   67.730   37.701   4.1549   0.0000   0.0000   37.701   4.1549  1201.91   67.730  1201.91   67.730 0.000000 0.000000 
1 1 1   10   28    2 o  2272.67   40.043  132.862   4.5662  129.431   5.8179  138.365   7.3687  2236.60   50.595  2308.74   62.079 -72.13843 80.08573 
1 1 1   10   28    4 o  434.343   42.973   4.8367   0.9158   3.5961   1.2049   6.5334   1.4091  366.470   66.396  502.217   54.574 -135.7467 85.94629 
1 1 1   10   28    6 o  217.510   41.327   1.1670   0.5196   2.0682   0.7680   0.4063   0.7057  277.654   55.741  157.365   61.030 120.2889 82.65400 
1 1 1   10   28    8 o  2732.59   40.173  192.811   5.6439  192.811   5.6439   0.0000   0.0000  2732.59   40.173  ?   ?       ?      ? 
1 1 1   10   28   10 o  653.091   39.308   10.811   1.2367   11.792   2.2102   10.364   1.4922  673.215   63.857  632.967   45.855 40.24847 78.61541 
1 1 1   10   28   12 o  1815.68   31.832   85.232   2.9695   86.522   4.2909   84.046   4.1138  1828.71   45.639  1802.66   44.387 26.04883 63.66446 
1 1 1   10   28   14 o  822.886   31.483   17.523   1.3319   17.503   1.8849   17.542   1.8824  822.415   44.579  823.356   44.468 -0.9407349 62.96599 
1 1 1   10   28   16 o  451.098   32.137   5.2807   0.7440   5.4485   1.0329   5.0997   1.0726  458.684   43.802  443.511   47.038 15.17313 64.27454 
1 1 1   10   28   18 o  1033.36   30.717   27.662   1.6310   27.112   2.2611   28.259   2.3549  1022.74   43.001  1043.98   43.875 -21.24115 61.43362 
1 1 1   10   28   20 o  877.822   30.351   19.944   1.3679   18.715   1.8803   21.325   1.9936  849.157   43.068  906.487   42.777 -57.32959 60.70237 
1 1 1   10   28   22 o  407.030   32.309   4.3395   0.6715   4.8117   0.9365   3.8398   0.9633  430.324   42.327  383.736   48.825 46.58774 64.61800 
1 1 1   10   28   24 o  256.554   50.756   1.7737   0.6815   1.6665   0.8669   1.9472   1.1028  246.665   66.740  266.444   76.489 -19.77914 101.5126 
1 1 1   10   28   26 o  367.472   32.249   3.5495   0.6054   3.9226   0.8451   3.1562   0.8677  387.836   42.381  347.108   48.620 40.72791 64.49852 
1 1 1   10   28   28 o  650.363   42.764   11.292   1.4233   10.323   2.0431   12.205   1.9840  621.892   63.901  678.833   56.848 -56.94110 85.52751 
1 1 1   10   28   30 o  292.135   37.013   2.3910   0.5263   3.0756   0.7232   1.6200   0.7675  342.747   41.039  241.523   61.609 101.2240 74.02655 
1 1 1   10   28   32 o  307.444   34.385   2.5044   0.5431   2.6015   0.7666   2.4065   0.7696  313.628   47.544  301.260   49.688 12.36841 68.76997 
1 1 1   10   28   34 o  617.019   31.147   10.088   0.9858   10.625   1.3757   9.5217   1.4132  634.649   42.163  599.388   45.858 35.26056 62.29498 
1 1 1   10   28   36 o  352.023   49.457   3.8243   0.9071   6.0541   1.2474   1.3223   1.3214  475.054   51.075  228.992   84.707 246.0619 98.91373 
1 1 1   10   28   38 o  548.619   31.480   8.0535   0.8839   8.6083   1.2258   7.4523   1.2759  569.513   41.863  527.726   47.026 41.78711 62.96041 
1 1 1   10   28   40 o  138.492   35.674   0.4479   0.3234   0.2909   0.5660   0.5240   0.3941  135.144   53.969  141.841   46.667 -6.697159 71.34747 
1 1 1   10   28   42 o  605.430   32.245   10.004   0.9885   11.607   1.3759   8.2935   1.4212  659.130   40.602  551.730   50.103 107.4005 64.48928 
1 1 1   10   28   44 o  156.686   36.858   0.6337   0.3497   0.4621   0.4656   0.8555   0.5296  138.930   50.457  174.441   53.742 -35.51118 73.71654 
1 1 1   10   28   46 o  399.035   53.380   4.9232   1.0519   4.7414   1.4247   5.1411   1.5595  392.753   73.250  405.316   77.667 -12.56299 106.7605 
1 1 1   10   28   48 o  115.425   32.006   0.2439   0.2800   0.1371   0.3963   0.3503   0.3955  107.255   44.286  123.595   46.220 -16.34031 64.01249 
1 1 1   10   29    1 o  2147.05   34.719  119.272   3.8319  121.821   5.4649  116.806   5.3746  2169.64   48.992  2124.46   49.207 45.18481 69.43761 
1 1 1   10   29    3 o  383.993   32.534   3.7757   0.6387   3.4654   0.8502   4.1777   0.9677  366.102   45.169  401.884   46.835 -35.78201 65.06749 
1 1 1   10   29    5 o  647.750   42.557   10.748   1.2274   10.598   1.4134   11.208   2.4755  640.350   42.930  655.150   73.494 -14.80042 85.11420 
1 1 1   10   29    7 o  1390.38   36.209   50.152   2.5840   51.466   3.5834   48.728   3.7297  1409.75   49.441  1371.01   52.913 38.73730 72.41710 
1 1 1   10   29    9 o  713.878   33.992   13.197   1.2408   13.175   1.8532   13.215   1.6704  713.075   50.550  714.681   45.461 -1.606079 67.98496 
1 1 1   10   29   11 o  309.826   34.386   2.4753   0.5464   2.6598   0.8079   2.3197   0.7418  320.398   49.043  299.255   48.213 21.14322 68.77297 
1 1 1   10   29   13 o  393.960   33.274   4.0292   0.6725   3.8919   0.9730   4.1548   0.9305  387.400   48.854  400.520   45.186 -13.11975 66.54716 
1 1 1   10   29   15 o  1680.27   31.355   73.187   2.7079   71.187   3.8287   75.188   3.8303  1657.12   44.939  1703.43   43.737 -46.30566 62.70918 
1 1 1   10   29   17 o  227.336   35.300   1.4323   0.4159   1.9573   0.5672   0.8215   0.6118  274.878   40.132  179.793   58.085 95.08537 70.60099 
1 1 1   10   29   19 o  511.283   31.668   6.7957   0.8274   5.8539   1.1511   7.8025   1.1902  474.310   47.205  548.255   42.226 -73.94452 63.33540 
1 1 1   10   29   21 o  287.052   35.057   2.1828   0.5064   2.1951   0.7033   2.1696   0.7297  290.208   47.137  283.896   51.905 6.312469 70.11473 
1 1 1   10   29   23 o  573.606   39.923   7.6191   1.0410   6.6021   1.1876   10.994   2.1634  503.003   45.922  644.208   65.318 -141.2051 79.84512 
1 1 1   10   29   25 o  647.543   31.186   11.058   1.0274   12.432   1.4228   9.5614   1.4852  690.875   40.056  604.210   47.810 86.66541 62.37205 
1 1 1   10   29   27 o  365.392   46.598   3.7273   0.8365   2.9456   1.2406   4.3791   1.1328  323.703   75.866  407.080   54.128 -83.37698 93.19537 
1 1 1   10   29   29 o  206.322   35.594   1.1149   0.4176   1.8418   0.6008   0.4353   0.5810  264.830   44.127  147.815   55.861 117.0145 71.18774 
1 1 1   10   29   31 o  529.986   32.168   7.4811   0.8675   8.3909   1.2013   6.4896   1.2540  565.172   41.343  494.799   49.295 70.37283 64.33650 
1 1 1   10   29   33 o  724.857   31.115   13.867   1.1583   13.043   1.6034   14.767   1.6751  702.167   44.416  747.546   43.585 -45.37872 62.22920 
1 1 1   10   29   35 o  797.601   46.260   17.660   1.8761   18.947   2.5444   16.127   2.7774  834.440   59.308  760.762   71.011 73.67841 92.51991 
1 1 1   10   29   37 o  352.711   33.888   3.3411   0.6108   3.7784   0.8689   2.9139   0.8588  376.461   44.892  328.960   50.777 47.50052 67.77560 
1 1 1   10   29   39 o  275.432   42.397   2.2145   0.5843   1.7377   0.9249   2.5311   0.7537  244.191   70.036  306.673   47.801 -62.48264 84.79391 
1 1 1   10   29   41 o  134.886   34.710   0.4211   0.3249   0.6092   0.3908   0.0000   0.5847  149.757   46.174  120.015   51.836 29.74229 69.41969 
1 1 1   10   29   43 o  374.683   33.256   3.8019   0.6351   3.1703   0.8648   4.5413   0.9356  339.978   49.475  409.388   44.454 -69.40976 66.51268 
1 1 1   10   29   45 o  500.579   40.443   6.5783   0.9627   5.7706   1.1358   8.6392   1.8143  456.978   48.345  544.179   64.848 -87.20157 80.88570 
1 1 1   10   29   47 o  367.038   38.322   4.0044   0.6712   4.9555   0.9166   2.9045   0.9857  425.100   41.940  308.976   64.151 116.1237 76.64413 
1 1 1   10   29   49 o  217.420   36.938   1.4217   0.4225   1.9573   0.6025   0.9032   0.5927  260.385   46.721  174.456   57.225 85.92902 73.87571 
1 1 1   10   30    0 o  1542.95   49.972   62.082   3.9333   61.621   5.7774   62.480   5.3698  1536.71   73.510  1549.20   67.714 0.000000 0.000000 
1 1 1   10   30    2 o  985.372   42.988   25.686   1.8429   26.093   2.1153   24.404   3.7541  1004.90   40.943  965.843   75.602 39.05756 85.97660 
1 1 1   10   30    4 o  1905.79   33.122   93.427   3.1706   91.363   4.0504   96.694   5.0949  1880.07   41.904  1931.51   51.306 -51.44177 66.24442 
1 1 1   10   30    6 o  1431.89   32.210   53.406   2.2852   51.708   3.7404   54.417   2.8866  1412.30   51.514  1451.48   38.682 -39.18726 64.42048 
1 1 1   10   30    8 o  1688.99   33.633   74.064   2.9060   72.026   4.2963   75.782   3.9455  1666.82   50.134  1711.16   44.847 -44.34595 67.26636 
1 1 1   10   30   10 o  184.606   34.924   0.8068   0.3784   1.5606   0.5705   0.2148   0.5056  241.251   47.687  127.960   51.036 113.2902 69.84773 
1 1 1   10   30   12 o  1109.55   32.647   31.861   1.8604   33.337   2.7060   30.538   2.5620  1133.82   46.421  1085.29   45.916 48.53528 65.29324 
1 1 1   10   30   14 o  1023.61   32.175   27.213   1.6917   26.315   2.4157   28.076   2.3699  1006.78   46.670  1040.44   44.303 -33.65271 64.34943 
1 1 1   10   30   16 o  853.167   31.644   18.915   1.3857   17.561   1.9501   20.296   1.9693  822.031   46.143  884.302   43.316 -62.27118 63.28866 
1 1 1   10   30   18 o  315.192   33.922   2.5830   0.5481   2.3220   0.7587   2.8681   0.7927  298.435   49.449  331.950   46.449 -33.51508 67.84397 
1 1 1   10   30   20 o  1174.50   30.951   35.894   1.8675   35.631   2.5870   36.180   2.6988  1170.27   42.996  1178.73   44.533 -8.459351 61.90195 
1 1 1   10   30   22 o  341.617   48.930   3.3126   0.7233   3.4574   0.8304   2.8573   1.4721  364.092   44.362  319.141   87.228 44.95102 97.86054 
1 1 1   10   30   24 o  243.409   53.632   1.6183   0.6531   0.0000   0.0000   1.6183   0.6531  ?   ?   243.409   53.632      ?      ? 
1 1 1   10   30   26 o  395.868   46.416   4.2929   0.9101   3.9606   1.3657   4.5583   1.2206  377.224   73.057  414.513   57.275 -37.28925 92.83176 
1 1 1   10   30   28 o  893.670   30.968   20.931   1.4214   20.001   1.9573   21.968   2.0675  872.786   43.619  914.553   43.971 -41.76715 61.93616 
1 1 1   10   30   30 o  753.268   31.179   14.993   1.2040   15.812   1.6741   14.116   1.7327  775.479   41.990  731.056   46.101 44.42297 62.35725 
1 1 1   10   30   32 o  201.657   38.652   1.1291   0.4090   1.1491   0.5457   1.1035   0.6180  203.574   51.962  199.740   57.234 3.834381 77.30301 
1 1 1   10   30   34 o  685.197   41.384   13.059   1.3121   13.522   1.5697   11.984   2.3903  714.488   42.733  655.906   70.883 58.58209 82.76790 
1 1 1   10   30   36 o  246.291   37.965   1.6922   0.4798   2.1524   0.6766   1.2269   0.6804  283.808   46.373  208.774   60.125 75.03358 75.93051 
1 1 1   10   30   38 o  545.321   40.158   8.3433   1.0509   7.5143   1.7855   8.7827   1.2999  517.398   67.122  573.245   44.105 -55.84711 80.31602 
1 1 1   10   30   40 o  498.129   44.532   7.4881   0.9903   8.4758   1.2248   5.6240   1.6826  562.604   42.345  433.655   78.353 128.9491 89.06377 
1 1 1   10   30   42 o  381.871   33.506   3.9658   0.6562   3.6031   0.9064   4.3654   0.9514  363.016   48.563  400.727   46.178 -37.71057 67.01287 
1 1 1   10   30   44 o  249.766   38.154   1.8257   0.4832   2.1457   0.6505   1.4318   0.7217  280.048   45.178  219.484   61.497 60.56387 76.30809 
1 1 1   10   30   46 o  153.851   36.470   0.6168   0.3572   0.3130   0.5000   0.9334   0.5105  128.581   50.922  179.121   52.223 -50.53978 72.93997 
1 1 1   10   30   48 o  316.897   38.614   3.0152   0.5978   3.6488   0.8241   2.3116   0.8685  361.293   44.366  272.500   63.213 88.79315 77.22816 
1 1 1   10   31    1 f  1417.99   52.104   52.768   3.7891   56.309   5.3180   49.117   5.4002  1467.52   70.485  1368.47   76.755 99.05005 104.2088 
1 1 1   10   31    3 o  375.048   57.135   3.8752   1.0999   5.1914   1.5300   2.4676   1.5823  445.912   66.740  304.183   92.755 141.7287 114.2700 
1 1 1   10   31    5 o  2049.47   41.471  112.497   3.6859  103.344   7.4730  115.440   4.2372  1985.67   73.201  2113.27   38.999 -127.5936 82.94138 
1 1 1   10   31    7 o  730.284   32.911   13.970   1.1891   13.269   1.9423   14.390   1.5039  714.604   52.867  745.964   39.214 -31.35974 65.82247 
1 1 1   10   31    9 o  942.280   30.975   23.107   1.4900   23.995   2.0154   22.037   2.2128  962.840   40.713  921.720   46.694 41.12036 61.95088 
1 1 1   10   31   11 o  934.394   33.340   22.665   1.5980   22.741   2.3414   22.598   2.1864  935.560   48.678  933.228   45.570 2.332275 66.68002 
1 1 1   10   31   13 o  821.214   32.567   17.504   1.3737   17.869   1.9935   17.174   1.8957  829.227   46.760  813.202   45.342 16.02435 65.13341 
1 1 1   10   31   15 o  1610.74   32.004   67.461   2.6497   66.890   3.7797   68.012   3.7155  1603.81   45.838  1617.67   44.675 -13.85852 64.00772 
1 1 1   10   31   17 o  2206.18   31.377  126.701   3.5566  131.465   5.0164  121.885   5.0433  2248.48   43.395  2163.88   45.333 84.60229 62.75499 
1 1 1   10   31   19 o  978.216   31.358   24.927   1.5767   24.787   2.2020   25.074   2.2586  975.536   43.904  980.896   44.786 -5.360840 62.71614 
1 1 1   10   31   21 o  456.521   44.044   5.3287   0.9125   5.1232   1.0565   5.9321   1.8102  442.753   46.415  470.289   74.867 -27.53613 88.08721 
1 1 1   10   31   23 o  606.649   45.207   9.6303   1.4100   0.0000   0.0000   9.6303   1.4100  ?   ?   606.649   45.207      ?      ? 
1 1 1   10   31   25 o  938.982   36.962   23.802   1.6806   24.987   2.0886   21.625   2.8303  977.490   41.560  900.474   61.134 77.01538 73.92322 
1 1 1   10   31   27 o  508.539   33.550   6.9509   0.8558   8.4531   1.1919   5.3521   1.2296  568.037   40.812  449.042   53.262 118.9958 67.10046 
1 1 1   10   31   29 o  586.652   31.976   9.0902   0.9631   9.2065   1.3324   8.9630   1.3936  591.042   43.848  582.263   46.554 8.779480 63.95266 
1 1 1   10   31   31 o  491.085   32.533   6.4557   0.8128   7.1834   1.1209   5.6487   1.1805  521.871   41.777  460.300   49.882 61.57059 65.06531 
1 1 1   10   31   33 o  316.419   35.164   2.6926   0.5555   2.2872   0.7545   3.1727   0.8210  287.641   52.970  345.197   46.262 -57.55606 70.32821 
1 1 1   10   31   35 o  861.990   40.121   21.218   1.6547   16.838   2.7087   23.825   2.0899  777.177   67.790  946.804   42.934 -169.6279 80.24251 
1 1 1   10   31   37 o  511.762   32.377   7.0224   0.8356   5.3729   1.1496   8.8696   1.2166  445.910   50.147  577.614   40.967 -131.7044 64.75369 
1 1 1   10   31   39 o  354.844   41.939   3.6256   0.7047   3.8476   0.8853   3.2419   1.1640  377.927   45.565  331.760   70.422 46.16699 83.87781 
1 1 1   10   31   41 o  504.232   32.392   6.8746   0.8324   5.7384   1.1418   8.1640   1.2163  458.330   48.453  550.135   43.002 -91.80563 64.78383 
1 1 1   10   31   43 o  392.257   33.745   4.2543   0.6764   4.4992   0.9277   3.9763   0.9883  406.091   44.436  378.422   50.797 27.66864 67.49002 
1 1 1   10   31   45 o  219.787   50.124   1.4204   0.6458   1.0317   0.8380   1.9887   1.0133  189.853   67.853  249.721   73.795 -59.86745 100.2486 
1 1 1   10   31   47 f  159.359   36.729   0.6992   0.3484   0.5103   0.4629   0.9462   0.5291  140.059   50.389  178.659   53.451 -38.60046 73.45803 
1 1 1   10   32    0 o  688.891   53.319   12.726   1.8262   12.255   2.4789   13.285   2.7007  675.238   73.629  702.543   77.139 -0.000000 0.000000 
1 1 1   10   32    2 o  895.625   35.460   20.872   1.6297   19.886   2.3391   21.803   2.2718  874.681   52.014  916.570   48.209 -41.88818 70.91979 
1 1 1   10   32    4 o  822.493   29.540   17.608   1.2426   15.993   1.7892   19.112   1.7271  785.499   44.305  859.487   39.084 -73.98883 59.08006 
1 1 1   10   32    6 o  507.427   30.027   6.6362   0.7809   7.3950   1.1492   5.9854   1.0644  534.289   41.838  480.565   43.082 53.72421 60.05349 
1 1 1   10   32    8 o  1452.52   28.505   54.643   2.1243   54.729   3.1068   54.569   2.9111  1453.23   41.582  1451.81   39.001 1.426880 57.00996 
1 1 1   10   32   10 o  408.753   32.430   4.3760   0.6745   4.6567   0.9106   4.0347   1.0040  423.760   41.797  393.746   49.597 30.01462 64.85996 
1 1 1   10   32   12 o  591.666   34.206   9.1631   1.0346   8.4427   1.5043   9.8097   1.4252  568.994   51.423  614.338   45.122 -45.34412 68.41296 
1 1 1   10   32   14 o  850.455   33.041   18.827   1.4442   19.123   2.0746   18.548   2.0117  856.857   47.092  844.054   46.358 12.80316 66.08160 
1 1 1   10   32   16 o  1287.29   32.066   43.166   2.1221   43.632   3.0240   42.714   2.9786  1294.10   45.452  1280.49   45.244 13.60974 64.13174 
1 1 1   10   32   18 o  1654.26   31.696   71.378   2.6955   72.064   3.7992   70.683   3.8249  1662.46   44.450  1646.06   45.197 16.40430 63.39218 
1 1 1   10   32   20 o  919.805   42.935   21.979   1.7821   21.528   2.0655   23.294   3.5250  907.943   44.248  931.668   73.592 -23.72504 85.87006 
1 1 1   10   32   22 o  273.411   63.581   2.0677   0.8768   0.0000   0.0000   2.0677   0.8768  ?   ?   273.411   63.581      ?      ? 
1 1 1   10   32   24 f  591.767   38.350   9.5985   1.0971   10.397   1.3762   8.2061   1.8170  630.109   42.481  553.424   63.860 76.68518 76.69955 
1 1 1   10   32   26 o  1275.26   31.107   42.649   2.0369   40.374   2.7984   45.211   2.9704  1239.24   43.923  1311.28   44.060 -72.04077 62.21365 
1 1 1   10   32   28 o  864.793   31.603   19.840   1.3973   21.442   1.9364   18.100   2.0183  902.855   41.717  826.731   47.484 76.12354 63.20653 
1 1 1   10   32   30 o  608.512   33.108   9.9882   1.0141   12.018   1.4164   7.8532   1.4526  675.323   40.796  541.702   52.156 133.6213 66.21603 
1 1 1   10   32   32 o  1059.16   31.132   29.677   1.6911   26.972   2.3244   32.719   2.4651  1007.40   44.878  1110.92   43.159 -103.5120 62.26401 
1 1 1   10   32   34 o  752.753   38.052   15.130   1.4291   16.238   2.3511   14.481   1.7998  770.151   59.377  735.356   47.606 34.79504 76.10455 
1 1 1   10   32   36 o  137.646   34.781   0.4374   0.3088   0.5454   0.4768   0.3593   0.4054  147.766   51.317  127.525   46.964 20.24133 69.56287 
1 1 1   10   32   38 o  402.983   38.166   4.1798   0.7623   3.4604   0.9378   5.5813   1.3090  356.308   51.193  449.659   56.621 -93.35162 76.33263 
1 1 1   10   32   40 o  324.610   37.010   2.9609   0.5826   2.0321   0.8024   3.9965   0.8472  264.166   60.393  385.053   42.797 -120.8870 74.01974 
1 1 1   10   32   42 o  290.671   36.721   2.3647   0.5361   2.1292   0.7267   2.6459   0.7939  272.155   53.844  309.186   49.946 -37.03116 73.44171 
1 1 1   10   32   44 o  140.330   38.933   0.3407   0.4287   0.6861   0.6083   0.0000   0.6042  160.927   57.781  119.733   52.197 41.19343 77.86646 
1 1 1   10   32   46 o  210.382   38.275   1.3242   0.4197   1.5430   0.5978   1.1117   0.5893  228.402   52.069  192.363   56.115 36.03963 76.55074 
1 1 1   10   33    1 o  873.425   35.705   19.851   1.6032   19.862   2.2796   19.840   2.2553  873.612   50.753  873.239   50.233 0.3732910 71.40939 
1 1 1   10   33    3 o  1156.55   32.084   34.768   1.8842   34.973   2.4823   34.490   2.8943  1161.50   41.569  1151.61   48.884 9.890625 64.16858 
1 1 1   10   33    5 o  404.875   31.707   4.2874   0.6551   3.8348   0.9489   4.6997   0.9056  384.004   48.061  425.746   41.371 -41.74170 63.41497 
1 1 1   10   33    7 o  314.889   34.156   2.6941   0.5218   2.0276   0.7615   3.2840   0.7164  273.790   55.985  355.989   39.145 -82.19824 68.31248 
1 1 1   10   33    9 o  1008.44   28.976   26.458   1.4968   25.392   2.1852   27.401   2.0545  988.782   42.986  1028.10   38.868 -39.32025 57.95260 
1 1 1   10   33   11 o  749.751   33.987   14.711   1.3027   13.944   1.9157   15.371   1.7767  730.854   50.982  768.648   44.960 -37.79358 67.97489 
1 1 1   10   33   13 o  516.232   33.755   6.9331   0.8945   7.2784   1.3099   6.6313   1.2246  528.167   48.238  504.296   47.231 23.87143 67.51083 
1 1 1   10   33   15 o  661.223   33.023   11.420   1.1214   11.188   1.6141   11.636   1.5591  654.458   47.972  667.989   45.396 -13.53180 66.04683 
1 1 1   10   33   17 o  300.871   38.154   2.5240   0.5570   3.8428   0.7987   1.2752   0.7773  384.225   40.434  217.518   64.716 166.7072 76.30876 
1 1 1   10   33   19 o  931.981   51.017   23.280   2.4259   22.980   3.2305   23.669   3.6736  927.456   67.749  936.506   76.297 -9.050476 102.0350 
1 1 1   10   33   21 f  630.010   57.944   10.531   1.8768   0.0000   0.0000   10.531   1.8768  ?   ?   630.010   57.944      ?      ? 
1 1 1   10   33   23 o  877.608   31.879   20.219   1.4377   19.792   1.9978   20.678   2.0707  868.130   44.761  887.086   45.403 -18.95581 63.75707 
1 1 1   10   33   25 o  699.043   32.112   12.849   1.1487   11.229   1.5868   14.632   1.6651  652.114   47.328  745.971   43.415 -93.85681 64.22481 
1 1 1   10   33   27 o  878.154   31.764   20.416   1.4300   21.141   1.9730   19.613   2.0755  895.685   42.844  860.623   46.906 35.06183 63.52815 
1 1 1   10   33   29 o  377.343   34.114   3.7923   0.6616   3.8574   0.9286   3.7251   0.9427  380.856   47.424  373.830   49.051 7.026031 68.22787 
1 1 1   10   33   31 o  498.638   32.864   6.6299   0.8416   6.7211   1.1690   6.5317   1.2127  502.667   45.234  494.609   47.688 8.057953 65.72807 
1 1 1   10   33   33 o  358.549   53.402   3.7169   0.9382   3.5417   1.2097   3.9813   1.4864  350.937   69.505  366.161   81.094 -15.22339 106.8046 
1 1 1   10   33   35 o  741.542   31.990   14.688   1.2169   13.405   1.6787   16.108   1.7667  706.880   46.191  776.205   44.270 -69.32538 63.97956 
1 1 1   10   33   37 o  140.864   34.964   0.4437   0.3452   0.7751   0.4563   0.0000   0.5280  167.264   49.545  114.464   49.349 52.79993 69.92840 
1 1 1   10   33   39 o  581.771   33.485   9.2190   0.9864   7.3102   1.3628   11.320   1.4296  515.550   51.415  647.993   42.913 -132.4432 66.97066 
1 1 1   10   33   41 o  300.501   36.253   2.5306   0.5397   1.9825   0.7392   3.1563   0.7898  261.045   56.701  339.957   45.191 -78.91208 72.50672 
1 1 1   10   33   43 o  555.315   46.409   9.3954   1.1632   9.8247   1.3852   8.3692   2.1419  596.969   45.134  513.661   81.106 83.30823 92.81820 
1 1 1   10   33   45 o  161.617   37.173   0.7482   0.3540   0.7314   0.4953   0.7656   0.5061  160.061   52.300  163.174   52.840 -3.112854 74.34605 
1 1 1   10   34    0 o  262.800   69.567   2.4136   0.8715   2.5918   1.3211   2.2764   1.1597  271.101  101.564  254.498   95.094 0.000000 0.000000 
1 1 1   10   34    2 o  1174.25   35.599   35.905   2.1472   38.086   3.0918   33.873   2.9844  1208.85   49.747  1139.66   50.934 69.19690 71.19718 
1 1 1   10   34    4 o  470.350   33.386   5.7852   0.7995   5.9651   1.0692   5.5571   1.2041  479.138   43.404  461.561   50.742 17.57758 66.77283 
1 1 1   10   34    6 o  439.768   31.271   5.0091   0.7012   5.9626   1.0260   4.1737   0.9604  479.164   41.648  400.373   46.657 78.79056 62.54144 
1 1 1   10   34    8 o  1045.74   29.227   28.466   1.5667   27.513   2.2817   29.317   2.1551  1028.65   43.144  1062.83   39.440 -34.18445 58.45437 
1 1 1   10   34   10 o  1190.70   31.010   36.575   1.8898   33.233   2.5335   40.766   2.8372  1130.03   43.608  1251.38   44.100 -121.3551 62.01990 
1 1 1   10   34   12 o  913.969   34.095   21.940   1.5923   20.387   2.3294   23.302   2.1815  882.476   51.341  945.462   44.878 -62.98578 68.19099 
1 1 1   10   34   14 o  342.844   35.814   3.0835   0.6280   3.0445   0.9333   3.1158   0.8489  340.509   53.313  345.180   47.835 -4.670563 71.62741 
1 1 1   10   34   16 o  905.324   32.885   21.427   1.5300   22.107   2.2018   20.792   2.1276  919.166   46.592  891.482   46.420 27.68433 65.76931 
1 1 1   10   34   18 o  459.161   57.076   5.7190   1.2761   3.4114   1.6890   8.7881   1.9479  344.881   93.090  573.441   66.069 -228.5600 114.1528 
1 1 1   10   34   20 o  764.846   42.831   15.679   1.6737   14.112   2.4097   17.140   2.3263  725.861   64.570  803.831   56.291 -77.97003 85.66198 
1 1 1   10   34   22 o  969.592   31.915   24.794   1.5858   26.148   2.1999   23.329   2.2879  998.302   42.862  940.882   47.298 57.41980 63.82967 
1 1 1   10   34   24 o  1022.21   31.760   27.567   1.6665   28.072   2.3071   27.017   2.4100  1032.81   43.448  1011.61   46.338 21.19580 63.52085 
1 1 1   10   34   26 o  616.407   32.735   10.060   1.0369   10.006   1.4416   10.118   1.4924  614.953   45.596  617.861   46.982 -2.908447 65.46984 
1 1 1   10   34   28 f  1032.32   31.836   28.267   1.6877   28.318   2.3323   28.210   2.4451  1034.12   43.868  1030.53   46.149 3.589111 63.67226 
1 1 1   10   34   30 f  257.053   36.730   1.8963   0.4815   0.9165   0.6857   2.8494   0.6763  185.676   61.582  328.429   40.051 -142.7530 73.46056 
1 1 1   10   34   32 o  737.930   51.767   15.917   1.8711   18.091   2.4418   12.826   2.9121  813.358   58.392  662.502   85.497 150.8555 103.5344 
1 1 1   10   34   34 o  197.342   43.498   1.1283   0.5043   0.5967   0.8802   1.3880   0.6153  173.135   67.878  221.550   54.413 -48.41483 86.99583 
1 1 1   10   34   36 o  515.318   40.340   7.5394   0.9953   7.9918   1.2324   6.6912   1.6876  545.511   43.943  485.126   67.663 60.38498 80.68057 
1 1 1   10   34   38 o  595.788   48.461   10.899   1.2509   11.738   1.4727   8.7250   2.3703  659.476   43.437  532.100   86.645 127.3763 96.92275 
1 1 1   10   34   40 o  167.644   37.985   0.7884   0.3733   0.6594   0.5618   0.8904   0.4995  158.553   55.669  176.734   51.694 -18.18088 75.96936 
1 1 1   10   34   42 o  261.746   36.959   1.9873   0.4790   2.0633   0.6587   1.9020   0.6979  268.623   49.518  254.869   54.880 13.75327 73.91799 
1 1 1   10   34   44 o  387.412   36.436   4.2883   0.7157   3.4870   0.9959   5.1445   1.0294  346.490   55.906  428.334   46.743 -81.84460 72.87240 
1 1 1   10   35    1 o  429.550   36.661   4.8258   0.8093   4.9759   1.1423   4.6745   1.1466  436.388   50.916  422.713   52.761 13.67529 73.32215 
1 1 1   10   35    3 f  513.367   36.933   6.8782   0.9736   7.3373   1.4132   6.4635   1.3432  529.691   51.895  497.042   52.564 32.64856 73.86510 
1 1 1   10   35    5 o  402.431   30.982   4.2123   0.6405   4.2954   0.9287   4.1370   0.8844  406.135   44.477  398.727   43.144 7.408081 61.96439 
1 1 1   10   35    7 o  2001.75   29.215  104.303   2.9996  102.666   4.3748  105.755   4.1209  1986.05   42.845  2017.45   39.730 -31.40723 58.43055 
1 1 1   10   35    9 o  1026.11   29.283   27.514   1.5369   25.965   2.2501   28.870   2.1042  998.157   43.846  1054.07   38.828 -55.91107 58.56689 
1 1 1   10   35   11 o  554.561   32.410   7.9254   0.9020   5.7834   1.2063   10.641   1.3582  469.883   49.936  639.240   41.328 -169.3574 64.81942 
1 1 1   10   35   13 o  428.654   37.199   4.9682   0.7951   3.8847   1.1795   5.8708   1.0766  383.175   59.872  474.133   44.164 -90.95779 74.39835 
1 1 1   10   35   15 f  721.462   41.144   12.750   1.3957   16.414   2.6877   11.398   1.6332  783.794   66.698  659.131   48.194 124.6622 82.28739 
1 1 1   10   35   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   35   19 o  458.312   47.893   5.9094   1.0535   4.2079   1.5246   7.4644   1.4575  385.760   79.517  530.864   53.402 -145.1033 95.78511 
1 1 1   10   35   21 o  390.541   38.303   4.2425   0.7005   2.5681   0.9816   5.9797   0.9999  303.418   64.891  477.664   40.715 -174.2455 76.60666 
1 1 1   10   35   23 o  309.271   36.812   2.5769   0.5643   2.0285   0.7735   3.2010   0.8251  270.470   57.399  348.072   46.107 -77.60254 73.62416 
1 1 1   10   35   25 f  593.548   32.850   9.3249   1.0016   8.9106   1.3846   9.7796   1.4507  579.743   46.455  607.353   46.458 -27.60986 65.69917 
1 1 1   10   35   27 o  484.664   33.196   6.2559   0.8263   5.9591   1.1710   6.5503   1.1663  472.767   48.176  496.561   45.684 -23.79410 66.39268 
1 1 1   10   35   29 o  686.558   32.798   12.586   1.1547   12.786   1.5861   12.360   1.6844  693.373   44.492  679.743   48.199 13.62970 65.59540 
1 1 1   10   35   31 f  324.224   52.404   3.3508   0.9359   4.7766   1.2171   1.2881   1.4639  418.580   56.556  229.868   88.238 188.7114 104.8073 
1 1 1   10   35   33 o  1269.48   41.140   44.802   2.5105   42.847   4.3280   45.793   3.0821  1232.59   68.296  1306.38   45.888 -73.77917 82.28062 
1 1 1   10   35   35 o  382.921   39.754   3.8805   0.7469   3.5161   0.9118   4.6240   1.3024  359.771   49.295  406.071   62.382 -46.30005 79.50778 
1 1 1   10   35   37 o  848.697   32.768   19.529   1.4281   18.389   1.9686   20.796   2.0748  822.391   46.560  875.003   46.121 -52.61255 65.53635 
1 1 1   10   35   39 o  173.540   39.750   0.8449   0.4052   0.8200   0.5765   0.8691   0.5697  171.609   56.443  175.471   55.985 -3.861847 79.49947 
1 1 1   10   35   41 o  478.212   34.291   6.3803   0.8405   6.6460   1.1635   6.0903   1.2156  490.379   46.148  466.046   50.735 24.33347 68.58297 
1 1 1   10   35   43 o  358.289   47.439   4.0714   0.8020   3.5142   1.3427   4.3805   1.0000  323.157   80.979  393.422   49.438 -70.26572 94.87709 
1 1 1   10   36    0 o  539.532   65.436   8.6241   1.5358   6.2643   2.2550   10.665   2.0974  449.953  112.689  629.110   66.549 0.000000 0.000000 
1 1 1   10   36    2 o  642.577   36.644   10.803   1.2086   11.705   1.7444   9.9697   1.6761  668.594   50.748  616.560   52.877 52.03369 73.28894 
1 1 1   10   36    4 o  327.828   37.676   2.7907   0.6084   2.1051   0.7999   3.7318   0.9372  277.865   57.876  377.791   48.252 -99.92642 75.35170 
1 1 1   10   36    6 o  1068.68   30.023   29.905   1.6411   27.667   2.3822   31.926   2.2640  1029.56   45.005  1107.80   39.751 -78.23889 60.04634 
1 1 1   10   36    8 o  658.677   30.194   11.368   1.0172   10.543   1.4783   12.111   1.4019  635.276   45.261  682.078   39.977 -46.80121 60.38849 
1 1 1   10   36   10 o  395.111   30.404   4.0704   0.6172   4.1894   0.8938   3.9620   0.8532  400.567   43.401  389.655   42.590 10.91275 60.80707 
1 1 1   10   36   12 o  278.005   42.243   2.2080   0.5942   1.4237   0.9087   2.7940   0.7855  229.488   70.348  326.522   46.788 -97.03467 84.48615 
1 1 1   10   36   14 o  184.984   42.837   0.8402   0.5286   0.0000   0.8481   1.3738   0.6759  146.482   62.839  223.487   58.235 -77.00574 85.67477 
1 1 1   10   36   16 o  343.702   68.729   3.2836   1.1720   3.2836   1.1720   0.0000   0.0000  343.702   68.729  ?   ?       ?      ? 
1 1 1   10   36   18 o  430.932   35.212   4.9068   0.7800   4.9356   1.1158   4.8793   1.0907  432.065   50.230  429.799   49.360 2.266632 70.42368 
1 1 1   10   36   20 o  635.222   33.267   10.689   1.0809   11.906   1.5294   9.4740   1.5279  672.444   44.238  597.999   49.696 74.44519 66.53322 
1 1 1   10   36   22 o  590.338   33.090   9.2394   1.0027   9.6160   1.4010   8.8439   1.4358  603.273   45.171  577.404   48.367 25.86890 66.17966 
1 1 1   10   36   24 o  739.701   32.709   14.502   1.2432   14.055   1.7233   14.988   1.7953  727.917   46.048  751.486   46.467 -23.56866 65.41853 
1 1 1   10   36   26 o  211.169   39.620   1.2469   0.4372   1.2045   0.6097   1.2918   0.6273  207.594   55.889  214.745   56.172 -7.150330 79.23902 
1 1 1   10   36   28 o  478.336   34.023   6.1277   0.8360   6.2452   1.1672   6.0039   1.1981  483.498   46.954  473.173   49.251 10.32489 68.04666 
1 1 1   10   36   30 o  491.160   61.474   8.2443   1.4022   11.440   1.8230   3.6155   2.1940  648.747   54.658  333.573  110.131 315.1747 122.9483 
1 1 1   10   36   32 o  810.861   42.362   18.405   1.6466   17.456   2.8440   18.883   2.0196  783.873   70.568  837.849   46.884 -53.97614 84.72319 
1 1 1   10   36   34 o  330.065   41.933   3.0502   0.6586   2.9966   0.8113   3.1538   1.1279  332.689   47.430  327.441   69.165 5.247742 83.86568 
1 1 1   10   36   36 o  202.789   38.706   1.1257   0.4255   0.7141   0.5631   1.6733   0.6495  163.732   55.816  241.845   53.638 -78.11285 77.41125 
1 1 1   10   36   38 o  622.034   33.589   10.656   1.0710   11.004   1.4769   10.271   1.5553  634.597   45.268  609.470   49.635 25.12653 67.17789 
1 1 1   10   36   40 o  384.029   34.447   4.1122   0.6793   4.3020   0.9572   3.9197   0.9642  393.828   47.276  374.230   50.115 19.59808 68.89494 
1 1 1   10   36   42 o  248.034   45.733   1.8222   0.6612   0.7030   0.8906   3.1967   0.9869  171.001   67.884  325.068   61.302 -154.0674 91.46690 
1 1 1   10   37    1 o  646.021   37.287   10.999   1.2309   9.5495   1.7286   12.489   1.7530  601.875   55.863  690.168   49.404 -88.29327 74.57488 
1 1 1   10   37    3 o  689.328   36.323   12.470   1.2866   12.824   1.8559   12.143   1.7853  698.636   51.669  680.020   51.065 18.61530 72.64523 
1 1 1   10   37    5 o  1182.52   32.361   36.277   1.9568   33.779   2.6066   39.501   2.9619  1136.80   44.599  1228.24   46.904 -91.44617 64.72257 
1 1 1   10   37    7 o  497.787   30.999   6.5045   0.7898   5.9702   1.1367   7.0032   1.0981  477.462   46.306  518.112   41.224 -40.64963 61.99749 
1 1 1   10   37    9 o  707.361   34.061   12.938   1.1914   13.857   2.0056   12.436   1.4810  724.658   53.833  690.065   41.745 34.59332 68.12193 
1 1 1   10   37   11 o  278.581   45.921   2.1536   0.6466   1.9436   0.9081   2.3697   0.9209  264.321   66.796  292.841   63.033 -28.52069 91.84162 
1 1 1   10   37   13 o  342.250   62.013   3.2157   1.0510   3.2157   1.0510   0.0000   0.0000  342.250   62.013  ?   ?       ?      ? 
1 1 1   10   37   15 o  478.844   56.276   5.8529   1.2836   3.4079   1.6034   10.215   2.1417  342.770   89.881  614.918   67.746 -272.1485 112.5527 
1 1 1   10   37   17 o  560.812   36.562   8.6358   1.0008   5.6878   1.4296   11.469   1.4014  460.402   60.396  661.221   41.224 -200.8195 73.12354 
1 1 1   10   37   19 o  556.034   33.916   8.1917   0.9659   9.1055   1.3803   7.3147   1.3522  587.184   45.722  524.884   50.107 62.30066 67.83185 
1 1 1   10   37   21 o  536.921   39.304   7.7921   1.0562   8.0011   1.3605   7.4749   1.6757  548.860   48.212  524.982   62.086 23.87854 78.60711 
1 1 1   10   37   23 o  458.366   34.608   5.6000   0.8149   5.2892   1.1406   5.9240   1.1645  445.074   49.845  471.657   48.024 -26.58276 69.21593 
1 1 1   10   37   25 o  213.785   39.199   1.2922   0.4403   1.0154   0.6409   1.5395   0.6058  192.263   59.106  235.306   51.506 -43.04298 78.39864 
1 1 1   10   37   27 o  494.831   33.294   6.5631   0.8446   6.8450   1.1696   6.2559   1.2209  506.834   44.886  482.827   49.185 24.00729 66.58736 
1 1 1   10   37   29 o  356.014   53.836   4.0850   0.8681   4.5447   1.0119   2.8039   1.6893  411.348   47.847  300.681   96.457 110.6679 107.6720 
1 1 1   10   37   31 o  286.884   48.636   2.4224   0.6666   2.3225   1.2223   2.4646   0.7953  277.186   80.804  296.583   54.153 -19.39691 97.27233 
1 1 1   10   37   33 o  197.854   42.893   0.9135   0.4492   0.6095   0.5282   1.7077   0.8537  154.726   53.999  240.982   66.658 -86.25554 85.78527 
1 1 1   10   37   35 f  385.908   35.167   4.0559   0.6905   3.3262   0.9385   4.9169   1.0195  346.878   52.626  424.938   46.664 -78.06000 70.33460 
1 1 1   10   37   37 f  335.639   36.189   3.1103   0.6219   2.7594   0.8452   3.5246   0.9183  314.591   52.256  356.686   50.078 -42.09525 72.37814 
1 1 1   10   37   39 o  363.879   36.123   3.7190   0.6756   3.8278   0.9606   3.6125   0.9504  369.454   50.573  358.303   51.594 11.15073 72.24657 
1 1 1   10   37   41 o  268.915   57.080   2.4416   0.8558   2.1088   1.1749   2.8176   1.2492  249.732   80.475  288.098   80.970 -38.36594 114.1598 
1 1 1   10   38    0 f  665.801   75.077   12.102   2.4858   0.0000   0.0000   12.102   2.4858  665.801   75.077  665.801   75.077 0.000000 0.000000 
1 1 1   10   38    2 o  630.451   52.693   10.628   1.6457   14.884   2.4714   7.2370   2.2059  746.685   64.378  514.218   83.437 232.4663 105.3865 
1 1 1   10   38    4 o  375.031   46.185   3.8933   0.8431   4.1893   1.0954   3.4629   1.3207  398.345   53.485  351.716   75.309 46.62900 92.36930 
1 1 1   10   38    6 o  1203.39   36.916   38.362   2.2664   36.823   3.3795   39.620   3.0554  1179.19   55.744  1227.58   48.411 -48.38977 73.83119 
1 1 1   10   38    8 o  1619.28   41.184   69.684   3.4130   69.453   4.6120   69.962   5.0747  1618.86   55.413  1619.69   60.941 -0.8372803 82.36701 
1 1 1   10   38   10 o  667.871   38.273   12.053   1.2352   12.565   1.5291   11.091   2.0955  692.410   42.955  643.332   63.356 49.07800 76.54527 
1 1 1   10   38   12 o  1135.76   48.385   36.598   2.2685   37.980   2.5748   31.803   4.7958  1203.90   41.598  1067.61   87.374 136.2881 96.77094 
1 1 1   10   38   14 o  388.628   42.319   3.7079   0.7873   5.4813   1.4135   2.9101   0.9480  451.889   60.840  325.366   58.839 126.5231 84.63739 
1 1 1   10   38   16 o  792.075   34.279   16.573   1.3940   17.790   2.0247   15.477   1.9221  819.855   48.035  764.294   48.916 55.56104 68.55788 
1 1 1   10   38   18 o  783.477   34.333   16.382   1.3726   14.273   1.9536   18.439   1.9291  731.604   51.937  835.349   44.917 -103.7448 68.66632 
1 1 1   10   38   20 f  728.690   33.828   14.120   1.2660   14.928   1.8001   13.329   1.7810  749.897   46.689  707.483   48.965 42.41394 67.65646 
1 1 1   10   38   22 o  615.529   33.827   10.093   1.0697   9.5714   1.4944   10.642   1.5319  598.900   48.533  632.159   47.134 -33.25952 67.65401 
1 1 1   10   38   24 o  676.023   33.730   12.210   1.1722   12.002   1.6446   12.424   1.6713  670.157   47.732  681.888   47.672 -11.73059 67.46076 
1 1 1   10   38   26 o  597.812   40.027   9.7581   1.1927   9.6174   1.9249   9.8457   1.5195  589.994   63.460  605.629   48.802 -15.63495 80.05490 
1 1 1   10   38   28 f  416.713   57.718   6.0693   1.0190   6.9537   1.1747   3.3811   2.0480  509.940   44.805  323.485  106.385 186.4551 115.4352 
1 1 1   10   38   30 o  535.560   49.086   8.2381   1.3259   7.5520   2.0167   8.7604   1.7596  509.846   76.938  561.274   60.977 -51.42767 98.17181 
1 1 1   10   38   32 o  619.172   34.155   10.444   1.0840   11.175   1.5197   9.6869   1.5466  642.853   45.982  595.492   50.515 47.36096 68.30905 
1 1 1   10   38   34 o  190.866   40.482   0.9814   0.4336   0.6731   0.5636   1.4284   0.6786  160.359   55.790  221.373   58.674 -61.01381 80.96416 
1 1 1   10   38   36 o  382.803   37.197   4.1579   0.7172   4.6474   0.9687   3.5642   1.0669  411.874   45.747  353.732   58.665 58.14236 74.39332 
1 1 1   10   38   38 o  276.228   38.384   2.0962   0.5465   0.8852   0.7094   3.8644   0.8572  177.827   62.550  374.629   44.506 -196.8022 76.76763 
1 1 1   10   38   40 o  305.495   47.604   3.2427   0.9530   5.6165   1.2543   0.0000   1.4659  440.155   55.426  170.834   77.411 269.3213 95.20757 
1 1 1   10   39    1 o  396.257   56.698   4.4273   1.1138   4.5926   1.6296   4.2824   1.5257  402.816   81.484  389.697   78.859 13.11935 113.3953 
1 1 1   10   39    3 o  318.329   48.773   2.4634   0.8577   5.1630   1.3775   0.7537   1.0962  439.618   60.944  197.040   76.163 242.5773 97.54516 
1 1 1   10   39    5 o  680.591   39.122   12.174   1.2794   11.947   1.5496   12.661   2.2675  674.487   44.687  686.695   64.227 -12.20746 78.24381 
1 1 1   10   39    7 f  1144.48   32.745   34.548   1.9129   35.145   2.5707   33.808   2.8635  1157.30   43.204  1131.66   49.216 25.64063 65.48950 
1 1 1   10   39    9 o  365.186   40.347   3.5763   0.7057   3.5105   0.8762   3.6978   1.1909  364.965   46.694  365.408   65.813 -0.4432068 80.69491 
1 1 1   10   39   11 o  385.168   44.999   4.1971   0.8365   4.8671   1.1089   3.3123   1.2743  428.576   50.324  341.761   74.614 86.81470 89.99886 
1 1 1   10   39   13 o  759.041   35.852   15.453   1.3838   13.657   2.0248   17.026   1.8955  715.063   55.078  803.019   45.913 -87.95636 71.70486 
1 1 1   10   39   15 o  344.268   39.792   3.3409   0.6607   2.4065   0.9701   4.1490   0.9022  292.081   66.141  396.456   44.261 -104.3744 79.58414 
1 1 1   10   39   17 o  470.982   35.304   5.9279   0.8520   5.6015   1.2319   6.2271   1.1796  457.693   52.352  484.271   47.378 -26.57779 70.60745 
1 1 1   10   39   19 o  750.099   35.118   15.124   1.3435   13.303   1.9293   16.838   1.8720  703.831   53.315  796.366   45.723 -92.53534 70.23598 
1 1 1   10   39   21 o  660.037   34.633   11.679   1.1666   13.398   1.6635   10.016   1.6364  709.643   45.595  610.431   52.142 99.21161 69.26582 
1 1 1   10   39   23 o  295.093   37.744   2.3936   0.5589   2.2166   0.7997   2.5626   0.7813  281.068   57.287  309.118   49.160 -28.05063 75.48849 
1 1 1   10   39   25 o  183.250   40.143   0.9013   0.4261   1.1913   0.6171   0.6370   0.5891  205.673   56.587  160.828   56.955 44.84457 80.28694 
1 1 1   10   39   27 o  305.559   52.463   3.1493   0.8020   3.6732   0.9215   1.5130   1.6283  369.162   48.550  241.956   93.018 127.2056 104.9261 
1 1 1   10   39   29 o  350.350   67.301   3.5622   1.1682   0.0000   0.0000   3.5622   1.1682  ?   ?   350.350   67.301      ?      ? 
1 1 1   10   39   31 o  172.968   39.701   0.7896   0.4141   0.5180   0.5664   1.1016   0.6070  149.516   55.428  196.420   56.855 -46.90361 79.40237 
1 1 1   10   39   33 o  466.554   35.049   5.9980   0.8382   6.3903   1.1729   5.5886   1.1982  483.611   47.174  449.498   51.849 34.11240 70.09799 
1 1 1   10   39   35 o  187.802   39.188   0.9600   0.4244   0.5370   0.5681   1.4940   0.6383  149.455   55.492  226.150   55.348 -76.69510 78.37547 
1 1 1   10   39   37 o  258.730   39.730   2.0434   0.5302   2.7129   0.7204   1.2518   0.7833  313.663   44.672  203.798   65.713 109.8657 79.45946 
1 1 1   10   39   39 o  140.215   40.636   0.3647   0.4387   0.4799   0.5033   0.0000   0.8954  139.876   52.170  140.554   62.318 -0.6785889 81.27257 
1 1 1   10   40    0 o  410.018   71.002   5.7369   1.3127   8.1285   1.8054   3.0545   1.9120  543.704   67.368  276.331  125.006 -0.000000 0.000000 
1 1 1   10   40    2 o  150.621   38.576   0.5086   0.3885   0.3539   0.5838   0.6315   0.5204  142.428   55.433  158.813   53.660 -16.38516 77.15123 
1 1 1   10   40    4 o  661.123   38.287   11.797   1.2756   9.3279   1.8233   14.164   1.7854  589.747   60.134  732.499   47.408 -142.7521 76.57392 
1 1 1   10   40    6 o  1354.64   33.007   48.516   2.2793   49.113   3.0450   47.755   3.4376  1366.57   43.339  1342.71   49.796 23.86047 66.01481 
1 1 1   10   40    8 f  780.449   35.400   15.414   1.3871   12.555   1.7524   20.212   2.2701  688.246   49.523  872.653   50.597 -184.4066 70.80015 
1 1 1   10   40   10 o  545.317   40.395   7.8864   1.1257   6.8706   1.5098   9.1580   1.6892  505.837   58.057  584.797   56.184 -78.95956 80.79095 
1 1 1   10   40   12 o  606.719   30.789   9.7418   0.9568   9.2460   1.3905   10.188   1.3187  591.204   45.746  622.235   41.222 -31.03101 61.57860 
1 1 1   10   40   14 o  647.818   35.736   11.213   1.1872   10.818   1.7208   11.571   1.6400  635.944   52.631  659.693   48.355 -23.74878 71.47215 
1 1 1   10   40   16 o  258.094   41.406   1.8720   0.5345   1.8201   0.8016   1.9136   0.7173  253.855   61.961  262.333   54.942 -8.477676 82.81158 
1 1 1   10   40   18 o  749.156   35.394   15.217   1.3401   12.379   1.9237   17.894   1.8680  677.131   55.258  821.182   44.245 -144.0500 70.78857 
1 1 1   10   40   20 o  410.418   36.743   4.5338   0.7744   4.8108   1.1033   4.2648   1.0873  423.215   50.708  397.621   53.186 25.59464 73.48503 
1 1 1   10   40   22 o  254.134   38.873   1.8060   0.5083   2.4237   0.7237   1.2047   0.7140  301.043   46.758  207.225   62.113 93.81888 77.74548 
1 1 1   10   40   24 o  281.043   40.357   2.2328   0.5627   2.0688   0.8102   2.3856   0.7820  269.649   59.991  292.437   53.999 -22.78806 80.71475 
1 1 1   10   40   26 o  668.846   48.452   12.246   1.4497   11.833   1.6735   13.487   2.9017  661.667   49.196  676.025   83.488 -14.35760 96.90450 
1 1 1   10   40   28 o  306.688   66.927   2.7511   1.0256   0.0000   0.0000   2.7511   1.0256  ?   ?   306.688   66.927      ?      ? 
1 1 1   10   40   30 o  292.004   40.775   2.4442   0.5904   2.3308   0.8290   2.5609   0.8410  284.494   58.625  299.515   56.688 -15.02051 81.54990 
1 1 1   10   40   32 o  295.652   40.193   2.5139   0.5948   2.7962   0.8207   2.2014   0.8634  318.424   50.131  272.880   62.839 45.54413 80.38509 
1 1 1   10   40   34 o  395.304   36.709   4.3557   0.7446   4.1449   1.0143   4.6020   1.0965  385.414   51.186  405.194   52.633 -19.77930 73.41846 
1 1 1   10   40   36 o  367.146   41.701   4.1373   0.7192   5.5461   0.9899   2.5625   1.0466  449.448   42.840  284.845   71.559 164.6039 83.40256 
1 1 1   10   40   38 o  387.473   50.116   4.1662   0.8719   3.4344   1.0087   6.3282   1.7338  337.208   60.402  437.737   79.988 -100.5292 100.2317 
1 1 1   10   41    1 o  601.061   38.813   9.7255   1.1866   8.2181   1.6884   11.197   1.6680  552.727   59.413  649.396   49.958 -96.66931 77.62585 
1 1 1   10   41    3 o  139.585   40.371   0.2263   0.4576   0.3613   0.5781   0.0000   0.7487  142.156   55.209  137.014   58.916 5.141815 80.74128 
1 1 1   10   41    5 o  588.895   42.508   8.0250   1.1332   6.7517   1.2870   12.416   2.3900  504.159   49.653  673.631   69.009 -169.4722 85.01579 
1 1 1   10   41    7 o  676.560   39.807   12.181   1.3758   10.444   1.8623   14.267   2.0415  622.964   58.146  730.156   54.382 -107.1921 79.61400 
1 1 1   10   41    9 o  330.379   36.473   2.8204   0.6078   3.4132   0.9832   2.4538   0.7733  357.106   53.550  303.652   49.533 53.45438 72.94639 
1 1 1   10   41   11 o  680.046   34.216   12.317   1.1629   12.245   1.8720   12.362   1.4840  675.662   53.890  684.430   42.174 -8.767212 68.43104 
1 1 1   10   41   13 o  464.676   41.638   6.5287   0.8541   3.8555   1.3468   8.3272   1.1047  366.577   74.008  562.775   38.180 -196.1975 83.27602 
1 1 1   10   41   15 o  378.303   34.214   3.8161   0.6637   3.7625   0.9044   3.8786   0.9772  375.882   46.797  380.723   49.925 -4.841309 68.42863 
1 1 1   10   41   17 o  644.514   35.573   11.064   1.1652   13.556   1.7216   8.9579   1.5829  712.734   46.982  576.295   53.426 136.4388 71.14531 
1 1 1   10   41   19 o  811.272   35.080   17.616   1.4586   19.657   2.1227   15.791   2.0077  856.616   48.199  765.928   50.985 90.68860 70.16087 
1 1 1   10   41   21 o  379.530   36.236   3.8961   0.7047   3.5474   0.9974   4.2437   0.9957  361.672   53.638  397.389   48.736 -35.71741 72.47230 
1 1 1   10   41   23 o  514.659   35.162   7.1529   0.9300   7.1234   1.3317   7.1809   1.2994  513.255   50.466  516.064   48.975 -2.808594 70.32347 
1 1 1   10   41   25 o  171.522   46.782   0.5207   0.6145   0.0000   0.8588   1.0671   0.8797  143.683   62.439  199.360   69.681 -55.67696 93.56353 
1 1 1   10   41   27 o  275.540   48.635   2.2493   0.6904   2.5775   0.9855   1.9329   0.9676  296.461   66.317  254.618   71.159 41.84300 97.27023 
1 1 1   10   41   29 o  482.727   37.494   6.5334   0.9084   7.9316   1.2724   5.0797   1.2974  540.521   45.788  424.934   59.387 115.5867 74.98880 
1 1 1   10   41   31 o  611.902   36.972   10.564   1.1344   12.833   1.5870   8.1935   1.6221  686.167   44.986  537.638   58.685 148.5297 73.94350 
1 1 1   10   41   33 o  148.048   36.916   0.5581   0.3559   0.7231   0.4992   0.3876   0.5075  161.185   52.498  134.912   51.915 26.27289 73.83231 
1 1 1   10   41   35 o  218.887   42.643   1.3758   0.5052   0.9226   0.6592   2.0207   0.7864  178.871   60.394  258.902   60.217 -80.03085 85.28514 
1 1 1   10   41   37 o  164.827   40.247   0.7097   0.3967   0.5492   0.4850   1.0340   0.6896  144.165   51.611  185.489   61.769 -41.32430 80.49302 
1 1 1   10   42    0 o  479.861   96.356   6.9023   2.1079   0.0000   0.0000   6.9023   2.1079  479.861   96.356  479.861   96.356 -0.000000 0.000000 
1 1 1   10   42    2 o  1005.78   56.397   28.402   2.9147   27.229   4.0573   29.654   4.1901  983.847   80.211  1027.71   79.302 -43.86475 112.7945 
1 1 1   10   42    4 o  171.879   48.105   0.4434   0.6520   0.8739   0.9154   0.0000   0.9290  192.496   70.621  151.262   65.336 41.23334 96.20917 
1 1 1   10   42    6 o  392.274   49.890   4.1985   0.9084   4.6324   1.6533   4.0108   1.0873  398.208   83.425  386.339   54.738 11.86887 99.77945 
1 1 1   10   42    8 o  504.503   35.162   6.6001   0.8922   7.7362   1.4559   5.9168   1.1291  537.117   52.721  471.890   46.540 65.22644 70.32433 
1 1 1   10   42   10 o  1339.48   36.394   48.220   2.4932   46.463   3.6744   49.718   3.3942  1313.61   54.406  1365.36   48.352 -51.75159 72.78732 
1 1 1   10   42   12 o  848.180   33.253   19.061   1.4450   17.862   1.9464   20.534   2.1568  819.145   46.216  877.216   47.823 -58.07141 66.50572 
1 1 1   10   42   14 o  267.311   38.906   1.9763   0.5159   1.7096   0.6972   2.2991   0.7670  246.729   56.219  287.893   53.798 -41.16386 77.81255 
1 1 1   10   42   16 o  440.426   37.468   5.2813   0.8403   4.6522   1.2169   5.8547   1.1618  413.364   57.261  467.488   48.339 -54.12387 74.93671 
1 1 1   10   42   18 o  585.057   35.809   9.2062   1.0760   9.6822   1.5633   8.7776   1.4833  599.351   50.734  570.762   50.549 28.58929 71.61802 
1 1 1   10   42   20 o  450.339   36.992   5.5097   0.8540   5.1288   1.2193   5.8764   1.1966  433.963   54.652  466.715   49.867 -32.75211 73.98318 
1 1 1   10   42   22 o  317.178   41.214   2.9447   0.6372   1.7245   0.9136   4.1008   0.8893  242.985   69.579  391.371   44.195 -148.3854 82.42839 
1 1 1   10   42   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   42   26 o  325.535   45.106   3.1704   0.7162   3.6323   0.9285   2.4921   1.1254  364.820   49.505  286.250   75.415 78.57010 90.21217 
1 1 1   10   42   28 o  723.007   35.460   14.385   1.3168   15.007   1.8566   13.754   1.8680  740.012   48.799  706.002   51.463 34.00922 70.92095 
1 1 1   10   42   30 o  488.548   36.651   6.6448   0.9192   6.6769   1.2684   6.6092   1.3339  490.911   50.254  486.186   53.363 4.725311 73.30149 
1 1 1   10   42   32 o  415.381   40.174   5.0752   0.8052   6.1616   1.1074   3.8567   1.1728  472.987   45.540  357.774   66.197 115.2130 80.34846 
1 1 1   10   42   34 o  209.423   43.264   1.3256   0.4984   1.5417   0.7175   1.1242   0.6928  225.139   60.635  193.707   61.730 31.43242 86.52833 
1 1 1   10   42   36 o  201.108   41.494   1.1743   0.4576   0.8506   0.5917   1.6561   0.7219  170.605   57.221  231.612   60.105 -61.00668 82.98719 
1 1 1   10   43    1 o  404.849   45.658   4.6766   0.8806   2.9096   1.2341   6.5094   1.2569  316.103   76.715  493.596   49.530 -177.4932 91.31512 
1 1 1   10   43    3 o  271.307   51.415   2.1817   0.7101   1.8130   1.2717   2.3488   0.8560  253.145   83.860  289.469   59.508 -36.32455 102.8291 
1 1 1   10   43    5 o  216.191   45.968   1.2939   0.5426   1.2504   0.6932   1.3626   0.8720  211.369   60.635  221.013   69.107 -9.643997 91.93661 
1 1 1   10   43    7 f  300.237   44.859   2.4500   0.6319   2.2732   0.7601   2.8454   1.1368  286.532   53.568  313.941   71.972 -27.40863 89.71882 
1 1 1   10   43    9 o  483.702   34.792   6.2655   0.8593   6.2823   1.1522   6.2444   1.2900  485.590   46.152  481.814   52.076 3.776031 69.58419 
1 1 1   10   43   11 o  257.296   37.872   1.8044   0.4946   1.3373   0.6722   2.3561   0.7304  217.769   58.703  296.823   47.865 -79.05391 75.74373 
1 1 1   10   43   13 o  1150.20   34.552   36.362   1.9623   31.710   3.1201   39.406   2.5240  1080.11   56.187  1220.30   40.229 -140.1975 69.10396 
1 1 1   10   43   15 o  368.567   42.062   3.9264   0.7394   2.5945   1.0718   5.1362   1.0215  298.546   70.885  438.589   45.301 -140.0429 84.12424 
1 1 1   10   43   17 o  380.956   37.906   3.9501   0.7406   3.7444   1.0632   4.1440   1.0323  370.439   55.827  391.474   51.291 -21.03525 75.81164 
1 1 1   10   43   19 f  278.920   41.783   2.1985   0.5801   2.5139   0.8539   1.9282   0.7906  298.305   57.767  259.534   60.385 38.77109 83.56672 
1 1 1   10   43   21 o  981.069   46.298   25.868   2.1045   30.124   4.0509   24.294   2.4630  1016.65   77.503  945.492   50.668 71.15424 92.59547 
1 1 1   10   43   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   43   25 o  511.585   36.446   7.1997   0.9580   7.1231   1.3740   7.2722   1.3364  508.254   52.583  514.916   50.480 -6.662689 72.89218 
1 1 1   10   43   27 o  254.008   41.736   1.8854   0.5346   1.9373   0.7641   1.8357   0.7483  257.511   58.985  250.504   59.062 7.007141 83.47234 
1 1 1   10   43   29 o  255.246   40.923   1.9148   0.5249   2.0168   0.7376   1.8102   0.7471  263.095   56.233  247.397   59.470 15.69795 81.84630 
1 1 1   10   43   31 o  447.672   36.448   5.6460   0.8375   5.8521   1.1687   5.4285   1.2007  457.446   49.693  437.898   53.334 19.54840 72.89665 
1 1 1   10   43   33 o  220.536   43.195   1.4880   0.5259   1.9606   0.7419   1.0107   0.7455  255.531   57.821  185.540   64.187 69.99121 86.38985 
1 1 1   10   43   35 o  168.896   38.836   0.8233   0.3948   0.5923   0.5502   1.0685   0.5668  149.603   54.769  188.189   55.075 -38.58511 77.67217 
1 1 1   10   44    0 o   86.312   55.869   0.0000   0.5844   0.0000   0.0000   0.0000   0.5844   86.312   55.869   86.312   55.869 0.000000 0.000000 
1 1 1   10   44    2 o  798.394   44.562   16.860   1.7818   14.760   2.2334   20.538   2.9554  735.738   59.044  861.050   66.761 -125.3115 89.12485 
1 1 1   10   44    4 o  662.189   43.652   11.851   1.4622   11.087   1.8830   13.011   2.3207  638.561   57.356  685.817   65.819 -47.25568 87.30324 
1 1 1   10   44    6 o  374.174   46.957   3.8984   0.8743   3.7177   1.1472   4.1490   1.3506  368.451   60.560  379.897   71.780 -11.44687 93.91395 
1 1 1   10   44    8 o  393.160   41.145   4.2428   0.8047   5.0770   1.1768   3.5104   1.1027  433.586   52.791  352.734   63.125 80.85181 82.29006 
1 1 1   10   44   10 o  334.458   42.309   3.3020   0.6723   2.3645   1.0592   3.9344   0.8700  284.550   72.264  384.366   44.024 -99.81662 84.61823 
1 1 1   10   44   12 o  423.939   37.100   4.9954   0.7737   4.3062   1.2340   5.4418   0.9932  395.599   60.673  452.279   42.714 -56.67966 74.20026 
1 1 1   10   44   14 f  616.426   34.766   10.185   1.0782   10.491   1.7189   9.9865   1.3844  621.222   53.817  611.629   44.026 9.592773 69.53101 
1 1 1   10   44   16 o  420.446   35.423   4.7985   0.7605   4.9612   1.0297   4.6034   1.1279  429.715   46.607  411.178   53.355 18.53674 70.84521 
1 1 1   10   44   18 o  623.218   38.457   10.923   1.1885   8.1388   1.7324   13.398   1.6335  540.046   62.393  706.390   44.977 -166.3434 76.91457 
1 1 1   10   44   20 o  612.551   52.148   10.458   1.5877   12.604   2.6851   9.3043   1.9688  652.834   80.001  572.267   66.916 80.56775 104.2967 
1 1 1   10   44   22 f  282.115   71.292   2.3896   1.0345   2.3896   1.0345   0.0000   0.0000  282.115   71.292  ?   ?       ?      ? 
1 1 1   10   44   24 o  399.071   38.632   4.4305   0.7925   4.5134   1.1251   4.3489   1.1166  402.957   54.306  395.185   54.959 7.772369 77.26339 
1 1 1   10   44   26 o  735.280   37.945   15.189   1.3910   19.725   2.0093   11.013   1.9276  849.266   46.018  621.294   60.346 227.9728 75.88943 
1 1 1   10   44   28 o  608.559   36.563   10.398   1.1341   8.9108   1.5974   11.911   1.6105  560.838   55.401  656.281   47.730 -95.44348 73.12592 
1 1 1   10   44   30 o  258.674   42.749   2.0128   0.5624   1.6300   0.7828   2.4211   0.8085  230.767   63.832  286.581   56.881 -55.81412 85.49874 
1 1 1   10   44   32 o  236.505   39.803   1.6752   0.5135   0.9439   0.7231   2.4195   0.7295  180.173   63.162  292.837   48.452 -112.6641 79.60589 
1 1 1   10   45    1 o  694.344   54.692   13.084   1.9524   0.0000   0.0000   13.084   1.9524  ?   ?   694.344   54.692      ?      ? 
1 1 1   10   45    3 o  209.617   60.111   1.2392   0.6814   0.0000   0.0000   1.2392   0.6814  ?   ?   209.617   60.111      ?      ? 
1 1 1   10   45    5 o  253.141   62.830   1.8346   0.8139   0.0000   0.0000   1.8346   0.8139  ?   ?   253.141   62.830      ?      ? 
1 1 1   10   45    7 o  622.796   51.653   10.483   1.6539   0.0000   0.0000   10.483   1.6539  ?   ?   622.796   51.653      ?      ? 
1 1 1   10   45    9 o  490.262   39.209   6.5064   0.9770   7.9510   1.4419   5.2805   1.3284  542.039   51.743  438.484   58.924 103.5551 78.41759 
1 1 1   10   45   11 o  325.459   38.017   2.9731   0.6078   3.3989   0.8270   2.4731   0.8963  356.324   45.145  294.594   61.180 61.72940 76.03352 
1 1 1   10   45   13 o  384.575   35.345   3.9725   0.6962   3.5937   0.9402   4.4324   1.0359  364.345   50.195  404.805   49.774 -40.46021 70.68966 
1 1 1   10   45   15 o  559.220   34.413   8.5036   0.9811   8.8947   1.3265   8.0312   1.4577  575.601   44.824  542.839   52.230 32.76123 68.82690 
1 1 1   10   45   17 o  567.247   44.725   9.0323   1.3017   8.2978   1.8101   9.8190   1.8733  542.073   64.949  592.422   61.506 -50.34863 89.45020 
1 1 1   10   45   19 o  231.004   52.495   1.5725   0.6858   1.4662   1.2126   1.6226   0.8316  227.191   81.579  234.817   66.088 -7.625977 104.9892 
1 1 1   10   45   21 o  158.347   44.364   0.4927   0.5365   0.7086   0.6435   0.0000   0.9720  166.333   59.457  150.360   65.860 15.97350 88.72792 
1 1 1   10   45   23 o  310.736   42.503   2.8085   0.6597   4.0985   0.9634   1.6699   0.9051  386.314   48.508  235.157   69.808 151.1572 85.00676 
1 1 1   10   45   25 o  473.310   37.695   6.2983   0.9043   7.5361   1.2931   5.1138   1.2650  522.627   48.127  423.992   58.029 98.63486 75.38938 
1 1 1   10   45   27 f  423.420   40.196   5.1525   0.8687   4.6778   1.2567   5.5869   1.2021  401.499   60.880  445.342   52.501 -43.84338 80.39121 
1 1 1   10   45   29 o  383.360   39.130   4.2015   0.7681   4.7502   1.1272   3.7259   1.0494  407.734   53.771  358.986   56.861 48.74829 78.25900 
1 1 1   10   45   31 o  102.344   30.779   0.0561   0.2821   0.1264   0.4234   0.0000   0.3782  108.761   45.412   95.926   41.560 12.83554 61.55856 
1 1 1   10   46    0 o  388.245  110.028   5.0522   1.9023   5.0522   1.9023   0.0000   0.0000  388.245  110.028  388.245  110.028 0.000000 0.000000 
1 1 1   10   46    2 o  261.679   60.175   2.0299   0.9272   1.9789   1.2878   2.0849   1.3359  258.772   84.325  264.586   85.869 -5.814789 120.3499 
1 1 1   10   46    4 o  371.662   55.284   4.1605   0.9738   4.3605   1.1811   3.7358   1.7211  398.624   57.630  344.701   94.361 53.92270 110.5679 
1 1 1   10   46    6 o  556.322   64.385   9.2846   1.7733   7.4042   2.4002   11.545   2.6314  484.117   99.753  628.527   81.430 -144.4101 128.7696 
1 1 1   10   46    8 o  718.377   56.676   16.282   1.7578   12.052   3.2469   18.036   2.0907  620.228  101.825  816.527   49.804 -196.2986 113.3521 
1 1 1   10   46   10 o  694.570   49.387   13.544   1.4297   13.949   3.0918   13.434   1.6124  681.176   88.283  707.964   44.299 -26.78796 98.77404 
1 1 1   10   46   12 o  477.629   54.865   6.8087   1.0355   6.4983   2.2530   6.8918   1.1660  448.812  100.177  506.446   44.781 -57.63354 109.7306 
1 1 1   10   46   14 o  533.073   54.347   8.2729   1.2491   8.5314   2.4588   8.1830   1.4501  518.861   95.698  547.284   51.538 -28.42328 108.6933 
1 1 1   10   46   16 o  175.800   47.376   0.6532   0.5400   0.9549   1.0417   0.5423   0.6315  196.715   74.689  154.885   58.306 41.83011 94.75259 
1 1 1   10   46   18 o  636.479   53.585   11.208   1.7535   11.208   1.7535   0.0000   0.0000  636.479   53.585  ?   ?       ?      ? 
1 1 1   10   46   20 o  264.150   47.614   2.1586   0.6997   1.0963   1.0267   3.0796   0.9560  201.726   74.656  326.574   59.115 -124.8483 95.22704 
1 1 1   10   46   22 o  356.399   50.217   3.9054   0.8953   2.8789   1.2934   4.8497   1.2405  299.523   81.721  413.275   58.385 -113.7516 100.4349 
1 1 1   10   46   24 o  282.126   48.756   2.4335   0.7156   3.1964   1.0430   1.7551   0.9836  326.919   64.348  237.333   73.265 89.58566 97.51112 
1 1 1   10   46   26 o  538.290   43.035   8.1422   1.1615   9.9585   1.9192   7.0925   1.4590  580.097   64.349  496.483   57.159 83.61374 86.06992 
1 1 1   10   46   28 o  353.669   48.126   3.9153   0.8268   3.5808   1.3287   4.1267   1.0563  328.561   79.513  378.777   54.240 -50.21613 96.25116 
1 1 1   10   46   30 o  116.408   34.275   0.1854   0.3247   0.0000   0.6019   0.2615   0.3856  118.006   51.754  114.809   44.950 3.196648 68.54932 
1 1 1   10   47    1 o  810.287   40.684   18.257   1.6569   13.999   2.3254   22.647   2.3613  706.930   63.981  913.644   50.270 -206.7135 81.36787 
1 1 1   10   47    3 o  189.228   43.401   0.9896   0.4833   0.9132   0.7158   1.0535   0.6551  184.659   62.928  193.796   59.787 -9.137772 86.80127 
1 1 1   10   47    5 o  345.903   43.611   3.3696   0.7562   3.8302   1.0980   2.9539   1.0431  372.550   57.325  319.257   65.739 53.29312 87.22252 
1 1 1   10   47    7 o  489.059   56.544   6.9870   1.2793   6.7961   1.5423   7.4080   2.2907  493.778   60.751  484.340   95.385 9.438629 113.0883 
1 1 1   10   47    9 f  763.514   42.843   16.330   1.6746   17.534   2.3363   15.058   2.4016  795.958   57.092  731.071   63.896 64.88715 85.68691 
1 1 1   10   47   11 o  561.319   63.643   8.8992   1.8367   8.8992   1.8367   0.0000   0.0000  561.319   63.643  ?   ?       ?      ? 
1 1 1   10   47   13 o  305.498   74.117   2.8246   1.1522   2.8246   1.1522   0.0000   0.0000  305.498   74.117  ?   ?       ?      ? 
1 1 1   10   47   15 o  267.356   74.086   2.1807   1.0535   2.1807   1.0535   0.0000   0.0000  267.356   74.086  ?   ?       ?      ? 
1 1 1   10   47   17 o  157.482   46.046   0.3506   0.5823   0.4980   0.9890   0.2725   0.7204  170.962   70.203  144.003   59.603 26.95911 92.09279 
1 1 1   10   47   19 o  493.000   73.312   8.5056   1.8385   10.546   2.5764   6.3889   2.6242  578.080   86.689  407.920  118.252 170.1602 146.6236 
1 1 1   10   47   21 o  248.842   61.405   1.9505   0.9959   2.6382   1.4224   1.2893   1.3948  280.817   88.339  216.868   85.314 63.94881 122.8094 
1 1 1   10   47   23 o  165.540   41.241   0.6918   0.4603   1.0916   0.6523   0.2952   0.6497  192.474   59.706  138.607   56.906 53.86768 82.48112 
1 1 1   10   47   25 o  250.066   51.939   1.9637   0.7183   2.5385   1.0847   1.5146   0.9587  280.664   74.083  219.467   72.818 61.19699 103.8787 
1 1 1   10   47   27 o  229.976   50.315   1.5426   0.6674   2.5489   1.0872   0.9340   0.8455  278.315   74.502  181.637   67.643 96.67799 100.6291 
1 1 1   10   48    0 o  259.360  104.822   2.6232   1.3656   0.0000   0.0000   2.6232   1.3656  259.360  104.822  259.360  104.822 0.000000 0.000000 
1 1 1   10   48    2 o  941.347   55.104   26.093   2.6621   26.811   3.8999   25.467   3.6427  950.507   79.805  932.187   76.006 18.31970 110.2081 
1 1 1   10   48    4 o  404.587   60.395   4.9681   1.2063   5.9249   1.8744   4.2916   1.5761  437.212   86.451  371.962   84.359 65.24976 120.7895 
1 1 1   10   48    6 o  126.698   37.079   0.1567   0.3984   0.0000   0.5608   0.3163   0.5661  117.467   50.752  135.930   54.070 -18.46310 74.15730 
1 1 1   10   48    8 o  360.764   51.316   3.8604   0.9159   3.5580   1.2342   4.2311   1.3664  345.225   71.873  376.303   73.263 -31.07806 102.6314 
1 1 1   10   48   10 o  736.436   41.757   15.550   1.4780   16.325   1.8327   14.109   2.4999  775.513   45.965  697.359   69.725 78.15417 83.51304 
1 1 1   10   48   12 o  254.325   42.531   1.8650   0.5445   1.6586   0.7223   2.1366   0.8287  238.394   59.202  270.255   61.080 -31.86050 85.06244 
1 1 1   10   48   14 o  161.378   42.072   0.5039   0.4946   1.1011   0.7311   0.0000   0.6715  195.839   63.521  126.917   55.183 68.92207 84.14356 
1 1 1   10   48   16 o  483.272   53.383   7.2020   1.2572   6.0282   1.8687   8.1724   1.6991  433.024   86.959  533.520   61.945 -100.4956 106.7659 
1 1 1   10   48   18 o  856.989   44.093   21.642   1.8864   23.885   2.4992   18.672   2.8757  923.382   52.644  790.596   70.748 132.7861 88.18555 
1 1 1   10   48   20 o  391.158   57.679   6.4445   1.2462   8.4167   1.4665   1.3217   2.3636  546.989   52.149  235.326  102.899 311.6629 115.3589 
1 1 1   10   48   22 o  266.955   63.764   2.3841   1.0575   1.6532   1.4063   3.3353   1.6043  228.518   86.778  305.392   93.451 -76.87364 127.5283 
1 1 1   10   48   24 o  219.264   59.481   1.5200   0.9438   1.6703   1.2708   1.3352   1.4094  225.973   83.163  212.555   85.063 13.41789 118.9615 
1 1 1   10   48   26 o  292.953   65.788   3.2398   1.1888   4.4954   1.6931   2.0190   1.6695  348.932   92.776  236.973   93.301 111.9591 131.5766 
1 1 1   10   49    1 o  801.521   55.827   19.219   2.2958   20.943   3.3349   17.665   3.1652  837.799   77.423  765.244   80.452 72.55579 111.6548 
1 1 1   10   49    3 o  625.003   56.425   11.760   1.8017   11.825   2.6944   11.707   2.4231  621.157   84.370  628.850   74.947 -7.693420 112.8508 
1 1 1   10   49    5 o  730.808   46.920   15.514   1.7126   16.092   2.2149   14.656   2.7005  758.380   56.807  703.236   74.693 55.14429 93.84086 
1 1 1   10   49    7 o  192.640   43.893   1.0134   0.5111   1.4532   0.7483   0.6289   0.6997  222.118   62.756  163.163   61.385 58.95445 87.78590 
1 1 1   10   49    9 o  322.775   39.234   2.9903   0.6221   3.2115   0.8238   2.6966   0.9491  342.831   46.736  302.719   63.031 40.11191 78.46757 
1 1 1   10   49   11 o  142.891   38.533   0.4361   0.4020   0.1973   0.6146   0.6146   0.5315  131.778   54.841  154.004   54.145 -22.22597 77.06635 
1 1 1   10   49   13 o  808.697   42.589   18.375   1.7540   15.606   2.3168   22.094   2.6846  737.384   61.111  880.010   59.337 -142.6254 85.17877 
1 1 1   10   49   15 o  315.906   41.992   2.8425   0.6426   3.3342   1.0482   2.5465   0.8134  335.195   63.142  296.618   55.376 38.57669 83.98463 
1 1 1   10   49   17 o  676.028   33.188   12.656   1.1525   12.332   1.6474   12.967   1.6130  666.348   48.086  685.708   45.754 -19.36029 66.37552 
1 1 1   10   49   19 o  425.587   38.490   5.1607   0.8414   5.4691   1.2143   4.8758   1.1670  438.216   53.897  412.959   54.965 25.25671 76.98078 
1 1 1   10   49   21 o  370.257   40.546   3.9888   0.7705   3.9708   1.1194   4.0051   1.0621  368.076   59.153  372.437   55.468 -4.361877 81.09148 
1 1 1   10   49   23 o  380.578   43.890   4.4110   0.8115   3.1746   1.1314   5.7211   1.1646  313.732   71.707  447.425   50.630 -133.6938 87.77961 
1 1 1   10   50    0 o   96.314   62.780   0.0000   0.7557   0.0000   0.7557   0.0000   0.0000   96.314   62.780   96.314   62.780 0.000000 0.000000 
1 1 1   10   50    2 o  318.506   48.192   2.4489   0.7874   5.4632   1.4342   1.1485   0.9420  435.082   64.116  201.930   71.965 233.1519 96.38423 
1 1 1   10   50    4 o  345.476   55.466   3.6961   0.9172   3.6856   1.6673   3.7006   1.0982  330.133   93.813  360.819   59.203 -30.68594 110.9315 
1 1 1   10   50    6 o  712.766   40.742   14.388   1.4910   14.453   2.1651   14.330   2.0563  712.567   59.100  712.964   56.098 -0.3975220 81.48475 
1 1 1   10   50    8 o  928.302   41.447   24.913   1.9196   18.828   2.7359   30.812   2.6939  802.020   66.352  1054.58   49.686 -252.5630 82.89309 
1 1 1   10   50   10 o  638.179   54.645   12.287   1.4530   12.177   1.6464   12.672   3.0892  663.587   48.259  612.771   98.058 50.81610 109.2899 
1 1 1   10   50   12 o  602.459   45.174   10.718   1.3792   11.842   1.8863   9.4253   2.0217  644.290   56.946  560.628   70.142 83.66199 90.34791 
1 1 1   10   50   14 o  501.748   34.756   7.0202   0.8780   8.8798   1.2789   5.3621   1.2076  568.745   43.737  434.750   54.028 133.9942 69.51276 
1 1 1   10   50   16 o  553.212   34.448   8.5500   0.9787   9.0832   1.4198   8.0672   1.3510  569.848   48.461  536.576   48.971 33.27246 68.89590 
1 1 1   10   50   18 o  459.685   36.758   5.7710   0.8490   7.7874   1.3554   4.4691   1.0891  524.528   50.262  394.841   53.651 129.6871 73.51665 
1 1 1   10   50   20 o  555.694   36.788   8.8374   1.0464   8.5957   1.4086   9.1351   1.5630  549.616   49.848  561.773   54.118 -12.15692 73.57677 
1 1 1   10   51    1 o  292.561   48.010   2.6372   0.7069   2.3861   1.0624   2.8367   0.9469  275.758   73.574  309.365   61.698 -33.60730 96.02006 
1 1 1   10   51    3 o  494.164   46.204   7.3369   1.0993   5.4543   1.5797   9.1044   1.5307  418.576   76.215  569.752   52.254 -151.1763 92.40781 
1 1 1   10   51    5 o  261.672   55.208   2.1215   0.7615   1.9716   0.9222   2.4430   1.3503  252.583   69.040  270.761   86.170 -18.17763 110.4163 
1 1 1   10   51    7 o  170.633   47.037   0.6793   0.5423   0.6954   0.6245   0.6302   1.0932  162.524   58.525  178.742   73.652 -16.21802 94.07342 
1 1 1   10   51    9 o  197.975   48.367   1.1828   0.6081   1.4117   0.7257   0.6435   1.1141  216.296   62.036  179.654   74.222 36.64145 96.73367 
1 1 1   10   51   11 o  463.772   37.854   5.9915   0.8915   6.9326   1.4015   5.3520   1.1553  492.176   55.386  435.367   51.614 56.80872 75.70736 
1 1 1   10   51   13 o  513.544   38.636   7.5596   0.9943   7.5507   1.5828   7.5654   1.2779  507.061   60.715  520.027   47.798 -12.96634 77.27214 
1 1 1   10   51   15 o  375.730   43.507   4.5027   0.7541   3.0697   1.1885   5.4682   0.9756  306.436   75.848  445.024   42.642 -138.5872 87.01321 
1 1 1   10   51   17 o  257.678   43.221   2.1357   0.6054   1.2005   0.9148   2.8644   0.8075  197.964   70.878  317.391   49.483 -119.4273 86.44242 
1 1 1   10   52    0 f  133.874   81.898   0.5866   1.0749   0.0000   0.0000   0.5866   1.0749  133.874   81.898  133.874   81.898 -0.000000 0.000000 
1 1 1   10   52    2 o  420.501   66.901   6.4338   1.5312   9.1759   2.1472   3.5964   2.1841  540.660   77.245  300.342  109.253 240.3178 133.8022 
1 1 1   10   52    4 o  288.400   63.802   2.9991   1.1271   3.8615   1.4929   1.8558   1.7188  337.923   85.778  238.877   94.472 99.04524 127.6041 
1 1 1   10   52    6 o  200.969   53.839   1.1498   0.7541   1.0703   0.9780   1.2664   1.1844  194.107   72.661  207.830   79.467 -13.72235 107.6779 
1 1 1   10   52    8 o  151.218   42.631   0.4828   0.4990   0.0000   0.9209   0.6835   0.5937  143.037   63.320  159.398   57.098 -16.36095 85.26138 
1 1 1   10   52   10 o  763.661   40.969   16.964   1.6029   18.976   2.3388   15.182   2.2011  808.838   56.241  718.484   59.588 90.35443 81.93748 
1 1 1   10   52   12 o  233.710   43.700   1.6223   0.5207   2.0189   0.8557   1.3891   0.6561  253.710   65.236  213.709   58.163 40.00085 87.39930 
1 1 1   10   52   14 f  388.346   46.197   4.9216   0.8357   3.3511   1.2980   6.0334   1.0921  313.421   80.214  463.271   45.853 -149.8498 92.39466 
1 1 1   10   53    1 o  570.052   69.812   11.714   1.9931   10.694   2.7993   12.763   2.8385  531.847  106.094  608.258   90.767 -76.41083 139.6231 
1 1 1   10   53    3 o  189.718   49.051   1.0244   0.5928   1.1451   1.0624   0.9698   0.7143  197.699   75.342  181.736   62.830 15.96303 98.10217 
1 1 1   10   53    5 o  190.422   48.617   1.0875   0.6327   0.5559   1.0672   1.3756   0.7857  170.918   71.779  209.926   65.591 -39.00800 97.23354 
1 1 1   10   53    7 o  531.614   66.159   11.417   1.5090   6.4706   2.6932   13.680   1.8218  372.165  121.979  691.064   51.276 -318.8992 132.3178 
1 1 1   10   53    9 o  163.712   43.525   0.7206   0.4958   0.5118   0.8318   0.8357   0.6175  157.681   64.524  169.742   58.432 -12.06082 87.05013 
1 1 1   11    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    0    7 o  203.899   68.853   1.3841   0.6456   1.3841   0.6456   0.0000   0.0000  203.899   68.853  203.899   68.853 -0.000000 0.000000 
1 1 1   11    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    0   11 o  663.427   55.866   11.604   1.8744   11.604   1.8744   0.0000   0.0000  663.427   55.866  663.427   55.866 -0.000000 0.000000 
1 1 1   11    0   13 o  1289.74   38.538   43.204   2.5438   41.415   3.5697   45.050   3.6259  1262.29   55.246  1317.19   53.746 0.000000 0.000000 
1 1 1   11    0   15 o  1261.22   38.838   41.352   2.5035   38.433   3.5117   44.369   3.5701  1215.31   56.481  1307.14   53.325 0.000000 0.000000 
1 1 1   11    0   17 o  881.168   39.921   20.350   1.7786   23.233   2.5390   17.572   2.4923  944.295   52.673  818.041   60.002 -0.000000 0.000000 
1 1 1   11    0   19 o  451.036   42.979   5.5568   0.9334   6.1576   1.3097   4.9366   1.3307  479.403   55.016  422.670   66.046 0.000000 0.000000 
1 1 1   11    0   21 o  231.801   51.015   1.7421   0.5389   2.0107   0.7683   1.4819   0.7560  256.535   67.424  207.067   76.578 -0.000000 0.000000 
1 1 1   11    0   23 o  648.279   57.560   11.089   1.8837   11.089   1.8837   0.0000   0.0000  648.279   57.560  648.279   57.560 -0.000000 0.000000 
1 1 1   11    0   25 o  802.823   41.754   17.101   1.6673   13.562   2.3647   20.600   2.3512  716.092   65.490  889.554   51.812 -0.000000 0.000000 
1 1 1   11    0   27 o  1723.93   39.988   76.895   3.5353   76.179   4.9636   77.631   5.0366  1715.79   56.407  1732.06   56.697 0.000000 0.000000 
1 1 1   11    0   29 o  3459.73   40.035  309.160   7.1161  310.012   9.9967  308.284   10.132  3464.70   56.154  3454.76   57.078 0.000000 0.000000 
1 1 1   11    0   31 o  593.492   42.318   9.3664   1.2599   9.8896   1.8054   8.8698   1.7590  610.473   58.775  576.511   60.900 -0.000000 0.000000 
1 1 1   11    0   33 o  443.468   64.678   5.4005   1.3830   5.4005   1.3830   0.0000   0.0000  443.468   64.678  443.468   64.678 0.000000 0.000000 
1 1 1   11    0   35 o  236.162   77.259   1.8438   0.8312   0.0000   0.0000   1.8438   0.8312  236.162   77.259  236.162   77.259 -0.000000 0.000000 
1 1 1   11    0   37 o   61.951   39.912   0.0000   0.2935   0.0000   0.0000   0.0000   0.2935   61.951   39.912   61.951   39.912 -0.000000 0.000000 
1 1 1   11    0   39 o  707.039   59.618   13.292   2.1317   13.292   2.1317   0.0000   0.0000  707.039   59.618  707.039   59.618 0.000000 0.000000 
1 1 1   11    0   41 o  180.205   76.416   1.2074   0.7176   0.0000   0.0000   1.2074   0.7176  180.205   76.416  180.205   76.416 -0.000000 0.000000 
1 1 1   11    0   43 o  207.981   76.719   1.5216   0.7598   1.5216   0.7598   0.0000   0.0000  207.981   76.719  207.981   76.719 0.000000 0.000000 
1 1 1   11    0   45 o  352.584   48.042   3.4175   0.8251   0.0000   0.0000   3.4175   0.8251  352.584   48.042  352.584   48.042 -0.000000 0.000000 
1 1 1   11    0   47 o  449.588   43.869   5.4250   0.9918   0.0000   0.0000   5.4250   0.9918  449.588   43.869  449.588   43.869 -0.000000 0.000000 
1 1 1   11    0   49 o   72.510   44.021   0.1308   0.3052   0.1308   0.3052   0.0000   0.0000   72.510   44.021   72.510   44.021 0.000000 0.000000 
1 1 1   11    0   51 o  247.631   83.182   2.1307   0.9458   2.1307   0.9458   0.0000   0.0000  247.631   83.182  247.631   83.182 0.000000 0.000000 
1 1 1   11    0   53 o  572.500   65.792   9.2258   1.8702   9.2258   1.8702   0.0000   0.0000  572.500   65.792  572.500   65.792 0.000000 0.000000 
1 1 1   11    0   55 o  123.900   59.998   0.6128   0.4459   0.6128   0.4459   0.0000   0.0000  123.900   59.998  123.900   59.998 0.000000 0.000000 
1 1 1   11    0   57 o  221.864   57.968   1.5632   0.5713   0.0000   0.0000   1.5632   0.5713  221.864   57.968  221.864   57.968 -0.000000 0.000000 
1 1 1   11    1    0 o  1715.53   67.083   76.320   5.8962   76.320   5.8962   0.0000   0.0000  1715.53   67.083  1715.53   67.083 0.000000 0.000000 
1 1 1   11    1    2 o  1687.36   46.801   73.496   4.0601   0.0000   0.0000   73.496   4.0601  ?   ?   1687.36   46.801      ?      ? 
1 1 1   11    1    4 o  577.566   43.790   8.6074   1.3003   0.0000   0.0000   8.6074   1.3003  ?   ?   577.566   43.790      ?      ? 
1 1 1   11    1    6 o  1083.72   40.593   30.294   2.2617   0.0000   0.0000   30.294   2.2617  ?   ?   1083.72   40.593      ?      ? 
1 1 1   11    1    8 o  1254.81   34.276   41.509   2.0712   38.290   3.5533   43.166   2.5490  1215.97   56.838  1293.66   38.324 -77.69238 68.55166 
1 1 1   11    1   10 o  472.419   53.347   5.7807   1.2957   5.7807   1.2957   0.0000   0.0000  472.419   53.347  ?   ?       ?      ? 
1 1 1   11    1   12 o  1732.68   38.534   77.934   3.4324   79.070   4.8521   76.796   4.8562  1745.45   54.070  1719.91   54.919 25.53821 77.06873 
1 1 1   11    1   14 o  1489.88   33.726   57.839   2.4214   58.410   2.9579   56.678   4.2163  1503.31   38.270  1476.44   55.545 26.87073 67.45274 
1 1 1   11    1   16 o  2462.77   33.942  157.844   4.0266  159.148   4.9145  155.182   7.0233  2481.79   38.516  2443.76   55.900 38.03003 67.88465 
1 1 1   11    1   18 o  1082.57   27.558   30.268   1.5327   28.923   2.1677   31.612   2.1675  1058.42   39.835  1106.73   38.093 -48.30786 55.11675 
1 1 1   11    1   20 o  1080.63   27.682   30.115   1.5379   30.358   2.1785   29.875   2.1714  1084.97   39.055  1076.29   39.242 8.686890 55.36404 
1 1 1   11    1   22 o  1447.10   55.368   54.141   4.1193   54.141   4.1193   0.0000   0.0000  1447.10   55.368  ?   ?       ?      ? 
1 1 1   11    1   24 o  990.297   34.107   25.034   1.6417   26.190   2.8574   24.464   2.0058  1006.51   55.218  974.084   40.052 32.42615 68.21461 
1 1 1   11    1   26 f  2265.95   28.061  132.408   3.2690  131.951   4.6156  132.869   4.6306  2262.02   39.689  2269.87   39.680 -7.858154 56.12194 
1 1 1   11    1   28 o  1391.95   28.286   49.988   2.0242   50.133   2.8587   49.841   2.8666  1393.99   39.888  1389.90   40.116 4.089355 56.57172 
1 1 1   11    1   30 o  1168.39   28.446   35.261   1.7066   33.138   2.4076   37.406   2.4196  1132.87   41.336  1203.90   39.091 -71.02942 56.89276 
1 1 1   11    1   32 o  1936.58   34.318   95.701   3.2447   92.739   3.9766  101.600   5.6127  1894.47   40.827  1978.69   55.172 -84.21948 68.63563 
1 1 1   11    1   34 o  462.043   59.337   5.5665   1.4095   5.5665   1.4095   0.0000   0.0000  462.043   59.337  ?   ?       ?      ? 
1 1 1   11    1   36 o  718.461   41.131   13.513   1.5191   13.656   2.1393   13.369   2.1575  722.400   57.600  714.521   58.731 7.879211 82.26296 
1 1 1   11    1   38 o  794.697   41.501   16.636   1.6931   17.566   2.3865   15.694   2.4025  817.668   56.770  771.726   60.551 45.94208 83.00220 
1 1 1   11    1   40 o  541.381   42.065   7.7672   1.1695   8.2141   1.6592   7.3259   1.6488  557.284   57.909  525.478   61.029 31.80530 84.13046 
1 1 1   11    1   42 o  232.669   42.598   1.4909   0.5488   2.2238   0.7729   0.7457   0.7794  285.164   54.711  180.174   65.307 104.9895 85.19563 
1 1 1   11    1   44 o  179.778   60.913   0.8249   0.6706   0.8249   0.6706   0.0000   0.0000  179.778   60.913  ?   ?       ?      ? 
1 1 1   11    1   46 o  101.406   29.277   0.1171   0.2360   0.1771   0.2902   0.0000   0.4055  101.126   39.159  101.686   43.532 -0.5603561 58.55346 
1 1 1   11    1   48 o  291.696   33.748   2.3115   0.4888   2.7692   0.7055   1.8889   0.6779  322.921   42.495  260.470   52.440 62.45059 67.49662 
1 1 1   11    1   50 f  288.411   33.884   2.2807   0.4874   2.5774   0.6889   1.9833   0.6898  310.604   43.142  266.218   52.262 44.38589 67.76848 
1 1 1   11    1   52 o  433.775   32.618   5.1174   0.7166   4.0963   1.0002   6.1946   1.0273  387.034   50.264  480.515   41.584 -93.48169 65.23634 
1 1 1   11    1   54 o  314.285   49.192   3.0023   0.7794   2.3465   1.0864   3.6978   1.1188  274.301   74.918  354.269   63.770 -79.96838 98.38361 
1 1 1   11    1   56 o  171.662   30.926   0.7498   0.3125   0.1855   0.4144   1.4931   0.4757  112.583   45.747  230.742   41.628 -118.1587 61.85173 
1 1 1   11    2    1 o  671.821   47.945   11.703   1.6559   11.912   2.3521   11.498   2.3316  677.786   67.498  665.856   68.108 11.93030 95.88927 
1 1 1   11    2    3 o  402.811   32.578   4.1870   0.6743   4.2202   0.9726   4.1563   0.9356  404.322   46.787  401.300   45.347 3.021759 65.15601 
1 1 1   11    2    5 o  1572.77   29.796   63.801   2.4079   64.265   3.4707   63.371   3.3433  1578.19   42.775  1567.35   41.490 10.83215 59.59125 
1 1 1   11    2    7 o  1340.44   34.163   46.564   2.2394   45.972   3.7946   46.880   2.7740  1332.81   55.377  1348.06   40.024 -15.25146 68.32666 
1 1 1   11    2    9 o  984.446   37.912   25.081   1.9181   24.088   2.6841   26.116   2.7419  964.486   54.130  1004.41   53.097 -39.91962 75.82432 
1 1 1   11    2   11 o  390.602   38.871   3.9885   0.7725   4.6110   1.0873   3.3541   1.0977  421.911   50.125  359.292   59.424 62.61847 77.74168 
1 1 1   11    2   13 o  616.342   33.310   9.8645   0.9951   9.7785   1.7184   9.9079   1.2205  613.492   54.483  619.192   38.340 -5.700439 66.62093 
1 1 1   11    2   15 o  1183.29   39.024   36.451   2.3696   38.715   3.3345   34.141   3.3680  1220.95   53.120  1145.63   57.182 75.32251 78.04835 
1 1 1   11    2   17 o  1525.71   33.405   59.444   2.4770   57.848   3.0236   62.699   4.3193  1496.60   39.296  1554.83   54.033 -58.23730 66.81096 
1 1 1   11    2   19 o  2075.31   33.997  111.467   3.4089  111.770   4.1659  110.853   5.9304  2081.50   38.928  2069.12   55.748 12.38135 67.99464 
1 1 1   11    2   21 o  1005.77   39.356   26.164   2.0347   26.335   2.8559   25.988   2.8996  1009.17   55.043  1002.37   56.266 6.806091 78.71197 
1 1 1   11    2   23 o  2635.78   56.145  179.631   7.6083  179.631   7.6083   0.0000   0.0000  2635.78   56.145  ?   ?       ?      ? 
1 1 1   11    2   25 o  3107.53   28.003  249.014   4.4734  252.812   6.3196  245.200   6.3332  3131.36   39.254  3083.70   39.947 47.66504 56.00573 
1 1 1   11    2   27 o  1239.73   28.212   39.652   1.7978   40.419   2.5345   38.876   2.5505  1251.84   39.379  1227.61   40.410 24.22998 56.42438 
1 1 1   11    2   29 o  1035.28   34.553   27.729   1.7387   27.761   2.1367   27.666   2.9913  1037.15   40.072  1033.41   56.302 3.739990 69.10606 
1 1 1   11    2   31 o  916.839   33.685   20.788   1.5205   18.660   1.8593   25.083   2.6419  849.768   42.558  983.910   52.226 -134.1414 67.37056 
1 1 1   11    2   33 o  612.825   57.980   9.7680   1.8268   9.7680   1.8268   0.0000   0.0000  612.825   57.980  ?   ?       ?      ? 
1 1 1   11    2   35 o  615.072   41.412   9.8848   1.3091   9.5959   1.8491   10.175   1.8537  605.926   59.357  624.218   57.762 -18.29187 82.82320 
1 1 1   11    2   37 f  914.766   35.472   21.671   1.5798   21.314   1.9374   22.380   2.7292  905.780   41.602  923.752   57.466 -17.97205 70.94411 
1 1 1   11    2   39 o  713.794   35.681   13.186   1.2382   12.845   1.5133   13.877   2.1540  702.141   41.920  725.447   57.752 -23.30658 71.36232 
1 1 1   11    2   41 o  388.542   41.851   4.4116   0.7281   5.0653   0.8996   3.1709   1.2395  440.540   39.721  336.544   73.677 103.9954 83.70238 
1 1 1   11    2   43 o  500.291   37.925   6.7419   0.9109   6.9113   1.1155   6.4026   1.5783  513.019   42.293  487.564   62.964 25.45462 75.84921 
1 1 1   11    2   45 o  906.605   42.975   22.316   1.9969   20.456   2.8306   24.158   2.8175  866.777   63.518  946.433   57.903 -79.65613 85.94962 
1 1 1   11    2   47 o  312.309   40.736   2.7431   0.6032   2.8585   0.7476   2.5279   1.0210  327.964   44.339  296.653   68.349 31.31064 81.47105 
1 1 1   11    2   49 o  163.632   38.862   0.7026   0.3735   0.7550   0.4502   0.5869   0.6688  165.924   49.230  161.339   60.146 4.584412 77.72478 
1 1 1   11    2   51 o  268.845   47.497   2.1342   0.6698   2.7368   0.9470   1.5309   0.9475  308.573   61.848  229.116   72.102 79.45686 94.99394 
1 1 1   11    2   53 o  148.793   36.593   0.4153   0.3366   0.1607   0.4041   0.9920   0.6083  110.917   45.132  186.668   57.613 -75.75156 73.18540 
1 1 1   11    2   55 o  235.166   35.778   1.5906   0.4193   1.6376   0.6094   1.5484   0.5779  238.230   51.273  232.102   49.913 6.127396 71.55534 
1 1 1   11    2   57 o  268.616   36.899   2.1077   0.4971   2.4638   0.7011   1.7476   0.7049  296.799   45.947  240.432   57.751 56.36656 73.79891 
1 1 1   11    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    3    2 o  358.649   46.478   3.3205   0.8570   0.0000   0.0000   3.3205   0.8570  ?   ?   358.649   46.478      ?      ? 
1 1 1   11    3    4 o  1666.08   38.722   72.086   3.0214   71.058   5.5497   72.518   3.6020  1655.52   65.203  1676.64   41.786 -21.12207 77.44334 
1 1 1   11    3    6 o  910.660   38.813   21.484   1.8137   20.930   2.6275   21.989   2.5067  899.207   56.834  922.114   52.874 -22.90729 77.62582 
1 1 1   11    3    8 o  1635.18   33.030   69.164   2.6096   69.303   3.1887   68.880   4.5413  1639.14   37.838  1631.21   54.151 7.927490 66.06052 
1 1 1   11    3   10 o  769.556   27.265   15.281   1.0783   15.074   1.5005   15.502   1.5507  764.190   38.191  774.922   38.921 -10.73175 54.52913 
1 1 1   11    3   12 o  1504.57   38.382   58.775   2.9690   58.524   4.1927   59.028   4.2048  1501.33   54.318  1507.80   54.242 -6.466553 76.76344 
1 1 1   11    3   14 o  787.217   34.535   16.562   1.2957   14.703   2.2402   17.496   1.5882  751.593   57.975  822.841   37.543 -71.24756 69.06935 
1 1 1   11    3   16 o  1681.69   33.075   72.162   2.7118   76.594   4.7042   69.957   3.3188  1717.97   53.260  1645.41   39.232 72.56177 66.14918 
1 1 1   11    3   18 f  1415.55   39.281   52.037   2.8514   55.952   4.0145   48.051   4.0507  1469.88   53.123  1361.22   57.880 108.6575 78.56292 
1 1 1   11    3   20 o  1063.45   39.352   29.257   2.1514   29.226   3.0199   29.289   3.0655  1062.93   55.262  1063.98   56.041 -1.047363 78.70456 
1 1 1   11    3   22 o  1979.66   33.814   99.257   3.2542   95.507   3.9636  107.012   5.7001  1924.63   40.056  2034.68   54.490 -110.0496 67.62871 
1 1 1   11    3   24 o  380.074   56.463   3.7356   1.1033   3.7356   1.1033   0.0000   0.0000  380.074   56.463  ?   ?       ?      ? 
1 1 1   11    3   26 o  1070.77   34.318   29.590   1.7846   29.537   2.1896   29.694   3.0801  1070.19   39.797  1071.35   55.920 -1.169678 68.63529 
1 1 1   11    3   28 o  1586.43   34.836   65.694   2.6685   66.969   3.2736   63.169   4.6070  1611.16   39.520  1561.69   57.378 49.46497 69.67134 
1 1 1   11    3   30 o  2748.12   34.655  195.508   4.6225  195.806   5.6732  194.920   7.9735  2754.10   40.066  2742.15   56.557 11.94287 69.31079 
1 1 1   11    3   32 o  1373.44   40.217   48.991   2.8393   48.033   4.0210   49.944   4.0097  1359.89   57.512  1387.00   56.230 -27.11365 80.43350 
1 1 1   11    3   34 o  343.388   39.380   3.2923   0.6217   3.6307   0.7680   2.6488   1.0591  374.580   39.879  312.196   67.918 62.38403 78.76017 
1 1 1   11    3   36 o  1371.83   32.956   48.349   2.0279   47.724   2.3446   50.205   4.0398  1358.33   33.574  1385.32   56.721 -26.98779 65.91264 
1 1 1   11    3   38 o  578.650   35.141   9.0497   0.8883   9.3407   1.0266   8.1821   1.7726  600.493   33.251  556.807   61.919 43.68536 70.28262 
1 1 1   11    3   40 o  639.682   34.269   10.719   0.9717   10.704   1.1207   10.764   1.9508  642.072   33.949  637.291   59.539 4.781372 68.53809 
1 1 1   11    3   42 o  213.372   43.242   1.2005   0.5160   1.7335   0.7641   0.7536   0.6996  250.009   60.173  176.736   62.118 73.27341 86.48359 
1 1 1   11    3   44 o  477.841   42.777   6.0137   1.0509   6.0137   1.0509   0.0000   0.0000  477.841   42.777  ?   ?       ?      ? 
1 1 1   11    3   46 o  145.232   34.410   0.5442   0.3096   0.6889   0.3841   0.2757   0.5232  158.952   44.982  131.512   52.086 27.43964 68.82091 
1 1 1   11    3   48 o  497.678   36.563   6.3708   0.8957   5.6750   1.0950   7.7781   1.5573  460.874   46.214  534.482   56.673 -73.60754 73.12667 
1 1 1   11    3   50 o  1027.00   37.593   28.790   1.8640   28.905   2.2842   28.561   3.2248  1040.40   42.704  1013.60   61.882 26.79797 75.18631 
1 1 1   11    3   52 o  354.095   35.532   3.4833   0.6040   4.7709   0.8833   2.3524   0.8279  421.991   40.715  286.198   58.244 135.7926 71.06366 
1 1 1   11    3   54 o  288.934   41.580   2.9320   0.6411   0.6700   1.0566   4.2497   0.8064  180.716   73.181  397.152   39.496 -216.4358 83.15903 
1 1 1   11    3   56 o  356.806   33.708   3.5364   0.6113   2.8849   0.8369   4.2811   0.8949  319.751   50.911  393.860   44.193 -74.10831 67.41566 
1 1 1   11    4    1 o  889.224   66.703   20.505   3.0495   0.0000   0.0000   20.505   3.0495  ?   ?   889.224   66.703      ?      ? 
1 1 1   11    4    3 o  1183.19   43.548   36.263   2.5844   36.268   4.1353   36.260   3.3106  1182.27   68.033  1184.12   54.381 -1.851929 87.09608 
1 1 1   11    4    5 o  718.369   34.157   13.406   1.2225   13.641   1.5559   13.025   1.9763  727.122   41.620  709.616   54.171 17.50616 68.31342 
1 1 1   11    4    7 o  686.719   28.208   12.155   0.9947   11.938   1.3678   12.399   1.4490  680.264   39.109  693.173   40.660 -12.90961 56.41579 
1 1 1   11    4    9 o  1871.41   27.591   90.334   2.6514   89.288   3.6511   91.500   3.8567  1860.12   38.178  1882.70   39.844 -22.57581 55.18241 
1 1 1   11    4   11 o  410.497   27.769   4.3737   0.5830   4.8160   0.8165   3.9137   0.8326  431.893   36.773  389.101   41.620 42.79242 55.53829 
1 1 1   11    4   13 o  822.429   33.654   17.675   1.3393   17.100   2.3055   17.968   1.6455  811.066   55.290  833.793   38.385 -22.72717 67.30844 
1 1 1   11    4   15 o  1219.83   27.376   38.461   1.7164   39.502   2.4284   37.422   2.4264  1236.41   38.203  1203.24   39.223 33.16443 54.75299 
1 1 1   11    4   17 o  487.286   27.799   6.1483   0.6925   5.3612   0.9738   6.9533   0.9848  455.522   41.582  519.051   36.905 -63.52863 55.59732 
1 1 1   11    4   19 o  1645.37   34.268   70.856   2.7174   67.334   4.6938   72.631   3.3326  1612.65   56.612  1678.09   38.628 -65.43237 68.53537 
1 1 1   11    4   21 o  2446.10   55.567  154.723   6.9881  154.723   6.9881   0.0000   0.0000  2446.10   55.567  ?   ?       ?      ? 
1 1 1   11    4   23 o  783.691   55.952   15.879   2.2544   15.879   2.2544   0.0000   0.0000  783.691   55.952  ?   ?       ?      ? 
1 1 1   11    4   25 o   90.991   34.580   0.1482   0.2234   0.1482   0.2234   0.0000   0.0000   90.991   34.580  ?   ?       ?      ? 
1 1 1   11    4   27 o  2098.98   39.904  113.648   4.3062  113.648   4.3062   0.0000   0.0000  2098.98   39.904  ?   ?       ?      ? 
1 1 1   11    4   29 o  267.890   42.128   1.8530   0.5802   1.8530   0.5802   0.0000   0.0000  267.890   42.128  ?   ?       ?      ? 
1 1 1   11    4   31 f  433.966   35.028   4.8153   0.7438   4.6823   0.9145   5.0751   1.2785  425.682   41.786  442.250   56.229 -16.56870 70.05576 
1 1 1   11    4   33 f  901.921   33.228   20.995   1.5408   20.995   1.5408   0.0000   0.0000  901.921   33.228  ?   ?       ?      ? 
1 1 1   11    4   35 o  1394.76   35.390   50.789   2.3964   51.145   2.9471   50.094   4.1173  1404.82   40.804  1384.69   57.835 20.13721 70.77996 
1 1 1   11    4   37 o  392.233   30.575   3.3329   0.5562   2.5362   0.6397   5.8022   1.1262  312.552   39.809  471.915   46.417 -159.3629 61.14945 
1 1 1   11    4   39 o  1566.49   34.440   65.839   2.3784   67.452   2.7544   61.108   4.7159  1612.86   33.217  1520.13   60.341 92.73303 68.87996 
1 1 1   11    4   41 o  693.905   34.044   12.571   1.0560   12.480   1.2214   12.844   2.1021  692.741   34.293  695.070   58.823 -2.329285 68.08896 
1 1 1   11    4   43 o  1054.25   41.914   29.186   2.2718   29.186   2.2718   0.0000   0.0000  1054.25   41.914  ?   ?       ?      ? 
1 1 1   11    4   45 f  181.726   39.391   0.8262   0.4425   1.3959   0.6300   0.2713   0.6218  223.761   55.121  139.692   56.289 84.06938 78.78292 
1 1 1   11    4   47 o  463.563   46.934   6.8365   0.9226   8.3559   1.1413   3.9699   1.5676  562.573   39.458  364.553   85.173 198.0199 93.86889 
1 1 1   11    4   49 o  473.280   38.153   6.0487   0.8755   5.9650   1.0720   6.2162   1.5169  472.680   44.113  473.881   62.262 -1.200958 76.30500 
1 1 1   11    4   51 o  442.579   44.986   5.5144   1.0194   6.1108   1.4537   4.9375   1.4298  468.019   60.414  417.139   66.671 50.88028 89.97134 
1 1 1   11    4   53 o  461.312   44.440   5.7753   1.0540   5.7753   1.0540   0.0000   0.0000  461.312   44.440  ?   ?       ?      ? 
1 1 1   11    4   55 o  593.068   32.292   9.7062   0.9815   8.9219   1.3929   10.480   1.3834  567.380   47.749  618.757   43.486 -51.37701 64.58334 
1 1 1   11    4   57 o  224.623   35.920   1.4808   0.4069   1.2227   0.5638   1.7613   0.5878  202.498   53.394  246.748   48.062 -44.24953 71.83935 
1 1 1   11    5    0 o  2468.26   67.660  157.690   8.5715  157.690   8.5715   0.0000   0.0000  2468.26   67.660  2468.26   67.660 0.000000 0.000000 
1 1 1   11    5    2 o  918.189   44.680   22.164   2.0589   20.239   3.2028   23.520   2.6878  882.796   70.568  953.583   54.823 -70.78760 89.36080 
1 1 1   11    5    4 o  1392.06   34.972   50.213   2.4585   50.830   3.2012   49.325   3.8385  1403.23   44.373  1380.89   54.067 22.34326 69.94382 
1 1 1   11    5    6 o  705.682   28.740   12.843   1.0415   12.705   1.4356   12.995   1.5134  701.752   39.791  709.612   41.481 -7.860046 57.48033 
1 1 1   11    5    8 o  473.647   28.252   5.8034   0.6858   5.9824   0.9424   5.6020   0.9999  481.515   38.069  465.778   41.755 15.73685 56.50428 
1 1 1   11    5   10 o  1519.22   27.672   59.655   2.1584   60.532   2.9888   58.699   3.1203  1531.10   37.969  1507.33   40.265 23.77795 55.34320 
1 1 1   11    5   12 o  892.145   34.062   20.636   1.4548   20.644   1.7622   20.617   2.5778  893.788   38.349  890.503   56.304 3.285217 68.12363 
1 1 1   11    5   14 o  1428.75   27.388   52.759   2.0110   50.728   2.8272   54.840   2.8610  1400.80   39.256  1456.69   38.201 -55.89136 54.77589 
1 1 1   11    5   16 o  1061.98   33.803   29.573   1.7357   30.341   2.1360   28.081   2.9779  1083.90   38.330  1040.07   55.691 43.83472 67.60648 
1 1 1   11    5   18 o  1325.05   33.138   44.753   2.1491   43.404   2.6414   47.394   3.6966  1296.93   39.614  1353.18   53.135 -56.24780 66.27682 
1 1 1   11    5   20 o  1659.81   55.599   71.259   4.7446   71.259   4.7446   0.0000   0.0000  1659.81   55.599  ?   ?       ?      ? 
1 1 1   11    5   22 o  1727.56   39.240   77.163   3.4848   76.913   4.9614   77.406   4.8958  1724.72   55.952  1730.40   55.031 -5.679810 78.47948 
1 1 1   11    5   24 o  1451.65   55.438   54.486   4.1375   0.0000   0.0000   54.486   4.1375  ?   ?   1451.65   55.438      ?      ? 
1 1 1   11    5   26 o  1327.72   39.696   45.623   2.7092   44.836   3.8456   46.399   3.8172  1316.24   56.827  1339.20   55.441 -22.95703 79.39199 
1 1 1   11    5   28 o  703.426   56.831   12.816   2.0553   12.816   2.0553   0.0000   0.0000  703.426   56.831  ?   ?       ?      ? 
1 1 1   11    5   30 o  838.276   40.226   18.143   1.7337   18.143   1.7337   0.0000   0.0000  838.276   40.226  ?   ?       ?      ? 
1 1 1   11    5   32 o  1446.48   57.277   54.352   4.2596   54.352   4.2596   0.0000   0.0000  1446.48   57.277  ?   ?       ?      ? 
1 1 1   11    5   34 o  1764.57   35.391   81.456   3.0220   82.575   3.7105   79.252   5.2081  1785.98   40.409  1743.17   58.113 42.81238 70.78149 
1 1 1   11    5   36 o  610.818   35.622   9.7613   1.0534   9.8269   1.2918   9.6311   1.8197  615.378   40.831  606.257   58.382 9.121155 71.24352 
1 1 1   11    5   38 o  1179.48   36.287   36.965   2.0635   38.051   2.5369   34.841   3.5472  1209.48   40.798  1149.49   60.021 59.98572 72.57418 
1 1 1   11    5   40 o  1459.79   33.678   55.575   2.1943   55.251   2.5363   56.540   4.3752  1458.59   33.821  1460.99   58.249 -2.398926 67.35575 
1 1 1   11    5   42 o  247.474   42.747   1.7103   0.5941   0.7437   0.8723   2.5468   0.8115  184.644   68.718  310.304   50.864 -125.6605 85.49454 
1 1 1   11    5   44 o  447.812   31.789   4.4655   0.6593   3.5059   0.7573   7.4703   1.3402  365.256   40.329  530.368   49.149 -165.1124 63.57705 
1 1 1   11    5   46 o  343.006   45.556   3.7933   0.7179   4.7857   0.8907   1.9532   1.2128  425.762   40.689  260.249   81.522 165.5131 91.11211 
1 1 1   11    5   48 o  441.899   39.612   5.4240   0.8434   5.6750   1.0443   4.9532   1.4300  461.595   44.004  422.204   65.880 39.39087 79.22481 
1 1 1   11    5   50 o  440.129   45.309   6.0589   0.8633   7.1572   1.0647   3.9499   1.4753  518.806   39.915  361.451   81.353 157.3552 90.61779 
1 1 1   11    5   52 o  207.997   64.168   1.2509   0.7547   1.2509   0.7547   0.0000   0.0000  207.997   64.168  ?   ?       ?      ? 
1 1 1   11    5   54 o  131.241   36.364   0.3325   0.3571   0.3359   0.5084   0.3292   0.5016  131.725   51.604  130.758   51.249 0.9666290 72.72864 
1 1 1   11    5   56 o  185.603   34.302   0.9897   0.3499   1.4420   0.5014   0.5603   0.4886  225.035   44.914  146.170   51.857 78.86536 68.60316 
1 1 1   11    6    1 o  1677.97   46.443   72.966   3.9951   74.001   5.8950   72.087   5.4331  1688.44   67.909  1667.50   63.375 20.93665 92.88690 
1 1 1   11    6    3 o  685.948   31.646   12.133   1.1099   12.292   1.6636   12.006   1.4901  689.834   46.908  682.061   42.493 7.773315 63.29268 
1 1 1   11    6    5 o  932.171   29.210   22.401   1.3990   21.775   1.9365   23.085   2.0233  918.585   41.005  945.757   41.610 -27.17206 58.41970 
1 1 1   11    6    7 o  585.366   28.762   8.8243   0.8645   8.4255   1.1864   9.2757   1.2622  571.316   40.392  599.415   40.958 -28.09875 57.52473 
1 1 1   11    6    9 o  1308.04   36.979   45.103   2.2248   46.097   2.6323   42.617   4.1625  1336.17   38.318  1279.92   63.257 56.25208 73.95725 
1 1 1   11    6   11 o  1026.29   34.884   27.316   1.6914   27.329   2.0269   27.284   3.0694  1028.44   38.334  1024.15   58.294 4.291138 69.76869 
1 1 1   11    6   13 o  1517.76   39.053   59.833   3.0460   57.580   4.2384   62.240   4.3804  1488.18   55.396  1547.34   55.063 -59.15820 78.10623 
1 1 1   11    6   15 o  984.726   33.364   24.966   1.5981   24.663   1.9592   25.568   2.7626  977.015   39.004  992.436   54.143 -15.42163 66.72854 
1 1 1   11    6   17 o  1470.09   33.310   55.651   2.3880   55.156   2.9376   56.616   4.1005  1461.83   39.087  1478.35   53.949 -16.52173 66.62073 
1 1 1   11    6   19 f  1253.03   55.534   40.622   3.5776   40.622   3.5776   0.0000   0.0000  1253.03   55.534  ?   ?       ?      ? 
1 1 1   11    6   21 o  526.110   33.853   7.0784   0.8678   6.9384   1.0637   7.3569   1.5006  518.754   39.884  533.466   54.711 -14.71216 67.70573 
1 1 1   11    6   23 o  2474.75   32.204  159.440   3.5626  160.907   4.1327  155.198   7.0292  2499.48   32.160  2450.01   55.805 49.46704 64.40815 
1 1 1   11    6   25 o  720.215   35.544   13.858   1.2229   14.765   1.5058   12.101   2.0959  756.747   38.703  683.683   59.628 73.06390 71.08733 
1 1 1   11    6   27 o  813.378   34.537   17.142   1.3657   17.237   1.6805   16.958   2.3436  817.399   39.987  809.356   56.322 8.043518 69.07362 
1 1 1   11    6   29 o  1880.52   34.705   91.977   3.1667   93.048   3.8954   89.890   5.4377  1898.69   39.905  1862.34   56.792 36.35229 69.40992 
1 1 1   11    6   31 o  708.803   35.605   13.282   1.2172   13.839   1.5012   12.213   2.0794  731.946   39.893  685.661   58.987 46.28485 71.21037 
1 1 1   11    6   33 o  945.368   33.195   23.071   1.6134   23.071   1.6134   0.0000   0.0000  945.368   33.195  ?   ?       ?      ? 
1 1 1   11    6   35 o  562.571   58.515   8.2779   1.6924   8.2779   1.6924   0.0000   0.0000  562.571   58.515  ?   ?       ?      ? 
1 1 1   11    6   37 o  764.168   41.576   15.180   1.6334   15.180   1.6334   0.0000   0.0000  764.168   41.576  ?   ?       ?      ? 
1 1 1   11    6   39 o  559.206   36.812   8.3306   0.9976   8.5812   1.2332   7.8560   1.6971  573.694   41.810  544.718   60.601 28.97644 73.62438 
1 1 1   11    6   41 o  638.609   36.457   10.770   1.1404   10.775   1.4146   10.759   1.9273  641.436   42.895  635.782   58.962 5.653748 72.91402 
1 1 1   11    6   43 o  314.532   44.735   2.6072   0.7234   2.6072   0.7234   0.0000   0.0000  314.532   44.735  ?   ?       ?      ? 
1 1 1   11    6   45 o  190.928   43.274   0.9230   0.4951   0.5591   0.6662   1.3721   0.7401  160.616   59.998  221.241   62.376 -60.62544 86.54816 
1 1 1   11    6   47 o  988.432   43.368   26.782   2.2038   26.620   3.0990   26.948   3.1346  985.575   61.159  991.288   61.504 -5.712891 86.73625 
1 1 1   11    6   49 o  117.602   33.663   0.1809   0.3173   0.2934   0.4040   0.0000   0.5125  121.956   46.464  113.249   48.722 8.706886 67.32537 
1 1 1   11    6   51 o  177.463   38.095   0.7398   0.4441   1.5331   0.6393   0.0000   0.6174  231.889   54.538  123.036   53.203 108.8527 76.19041 
1 1 1   11    6   53 o  468.018   41.903   6.3186   0.9212   6.5460   1.1171   5.8354   1.6285  490.960   44.256  445.076   71.168 45.88400 83.80634 
1 1 1   11    6   55 o  629.310   38.223   10.259   1.1778   8.1425   1.4248   14.826   2.0928  538.388   51.476  720.232   56.517 -181.8445 76.44543 
1 1 1   11    6   57 o  154.999   39.424   0.6608   0.4003   0.7927   0.4778   0.3499   0.7333  165.096   51.076  144.902   60.069 20.19435 78.84869 
1 1 1   11    7    0 o   58.800   34.062   0.1083   0.1678   0.1083   0.1678   0.0000   0.0000   58.800   34.062   58.800   34.062 0.000000 0.000000 
1 1 1   11    7    2 o  1214.88   40.951   38.759   2.2737   39.417   2.6760   37.051   4.3118  1235.83   42.118  1193.93   70.244 41.89917 81.90270 
1 1 1   11    7    4 o  1085.79   38.462   30.572   1.6721   30.605   1.8550   30.432   3.8620  1089.70   33.111  1081.87   69.434 7.837524 76.92474 
1 1 1   11    7    6 o  1463.17   38.003   56.548   2.2262   57.232   2.4768   53.672   5.0793  1490.11   32.330  1436.23   68.788 53.87427 76.00650 
1 1 1   11    7    8 o  1073.22   36.861   30.665   1.6069   31.210   1.7986   28.506   3.5776  1100.22   31.796  1046.22   66.512 53.99158 73.72165 
1 1 1   11    7   10 o  530.908   37.422   7.5336   0.9125   7.8277   1.0840   6.8183   1.6905  550.431   38.307  511.385   64.298 39.04544 74.84429 
1 1 1   11    7   12 o  931.589   33.871   23.043   1.3489   23.503   1.5383   21.513   2.8056  954.441   31.349  908.737   60.052 45.70398 67.74201 
1 1 1   11    7   14 o  1288.57   34.324   43.133   2.1252   43.313   2.5853   42.756   3.7322  1294.64   38.841  1282.51   56.602 12.12927 68.64742 
1 1 1   11    7   16 o  1449.48   31.428   53.648   2.0440   52.961   2.3629   55.690   4.0739  1433.24   32.067  1465.73   54.062 -32.48608 62.85651 
1 1 1   11    7   18 o  261.274   33.657   1.5841   0.4227   1.0299   0.5132   2.7542   0.7456  195.944   50.590  326.604   44.406 -130.6594 67.31458 
1 1 1   11    7   20 o  2000.78   32.104  103.110   3.3024  103.110   3.3024   0.0000   0.0000  2000.78   32.104  ?   ?       ?      ? 
1 1 1   11    7   22 o  1783.97   33.674   81.856   2.9291   81.220   3.6032   83.097   5.0294  1774.95   39.485  1793.00   54.559 -18.05566 67.34763 
1 1 1   11    7   24 o  410.767   35.445   4.4717   0.7005   4.7062   0.8645   4.0235   1.1952  427.235   39.359  394.299   58.960 32.93570 70.89038 
1 1 1   11    7   26 o  737.730   31.357   13.439   1.0497   12.802   1.2115   15.357   2.1022  704.857   33.431  770.602   53.060 -65.74487 62.71382 
1 1 1   11    7   28 o  163.979   33.229   0.7353   0.2757   0.8025   0.3172   0.5274   0.5579  173.139   36.770  154.819   55.359 18.31982 66.45798 
1 1 1   11    7   30 o  1165.87   34.998   35.497   1.9747   36.136   2.4271   34.245   3.3964  1182.95   39.907  1148.79   57.505 34.16052 69.99586 
1 1 1   11    7   32 o  393.934   59.431   4.0372   1.2037   4.0372   1.2037   0.0000   0.0000  393.934   59.431  ?   ?       ?      ? 
1 1 1   11    7   34 o  780.727   35.158   15.813   1.3378   15.740   1.6469   15.954   2.2939  779.473   41.096  781.981   57.058 -2.507690 70.31694 
1 1 1   11    7   36 o  652.452   41.368   11.054   1.3877   11.054   1.3877   0.0000   0.0000  652.452   41.368  ?   ?       ?      ? 
1 1 1   11    7   38 o  343.578   35.606   3.0632   0.6289   3.0632   0.6289   0.0000   0.0000  343.578   35.606  ?   ?       ?      ? 
1 1 1   11    7   40 o  270.021   36.761   1.8979   0.5103   1.8979   0.5103   0.0000   0.0000  270.021   36.761  ?   ?       ?      ? 
1 1 1   11    7   42 o  927.397   59.489   23.015   2.8364   23.015   2.8364   0.0000   0.0000  927.397   59.489  ?   ?       ?      ? 
1 1 1   11    7   44 o  723.370   36.382   14.462   1.1462   14.978   1.3260   12.939   2.2797  757.140   34.064  689.599   64.299 67.54071 72.76447 
1 1 1   11    7   46 o  862.927   38.242   20.645   1.5797   21.870   1.9515   18.317   2.6906  909.244   41.747  816.609   64.087 92.63544 76.48473 
1 1 1   11    7   48 f  365.790   36.810   3.4661   0.6592   3.1506   0.8027   4.1203   1.1556  343.404   45.462  388.175   57.905 -44.77124 73.61909 
1 1 1   11    7   50 o  535.661   44.428   8.0218   1.2205   8.7024   1.7390   7.3611   1.7134  559.669   60.437  511.654   65.136 48.01474 88.85556 
1 1 1   11    7   52 o  372.680   67.059   4.0759   1.2376   4.0759   1.2376   0.0000   0.0000  372.680   67.059  ?   ?       ?      ? 
1 1 1   11    7   54 o  602.589   65.455   10.620   2.0278   0.0000   0.0000   10.620   2.0278  ?   ?   602.589   65.455      ?      ? 
1 1 1   11    7   56 o  264.104   50.266   2.2235   0.6988   2.0436   0.9760   2.4128   1.0010  252.505   71.787  275.703   70.379 -23.19800 100.5315 
1 1 1   11    8    1 o  661.146   40.399   11.387   1.2265   11.465   1.4438   11.184   2.3246  666.416   42.140  655.876   68.939 10.54022 80.79840 
1 1 1   11    8    3 o  1413.03   41.005   52.226   2.6293   52.774   3.0768   50.742   5.0628  1429.71   41.859  1396.36   70.522 33.34937 82.00951 
1 1 1   11    8    5 o  504.666   37.653   6.5059   0.7648   6.4517   0.8478   6.7429   1.7721  500.255   32.965  509.076   67.707 -8.821198 75.30548 
1 1 1   11    8    7 f  589.608   36.221   8.8379   0.8772   8.7278   0.9778   9.2921   1.9857  581.745   32.693  597.471   64.644 -15.72571 72.44102 
1 1 1   11    8    9 o  429.898   33.887   4.5007   0.6154   4.3002   0.6880   5.3045   1.3772  408.250   32.777  451.546   59.321 -43.29608 67.77403 
1 1 1   11    8   11 o  702.315   34.072   12.697   1.0136   12.626   1.1442   12.952   2.1845  699.533   31.814  705.097   60.261 -5.564087 68.14375 
1 1 1   11    8   13 o  861.276   35.569   19.558   1.4419   20.061   1.7346   18.434   2.5937  881.098   38.292  841.454   59.954 39.64441 71.13882 
1 1 1   11    8   15 o  897.356   32.767   21.141   1.2854   21.428   1.4771   20.246   2.6087  911.644   31.515  883.068   57.459 28.57611 65.53402 
1 1 1   11    8   17 o  1205.89   33.822   37.550   1.9797   37.483   2.4276   37.682   3.4204  1205.35   39.174  1206.42   55.146 -1.071533 67.64349 
1 1 1   11    8   19 f  1310.75   32.026   44.255   2.1582   44.255   2.1582   0.0000   0.0000  1310.75   32.026  ?   ?       ?      ? 
1 1 1   11    8   21 o  1716.40   33.618   75.675   2.8127   74.883   3.4567   77.226   4.8386  1704.30   39.450  1728.51   54.448 -24.20923 67.23698 
1 1 1   11    8   23 o  2158.58   31.628  118.783   3.0720  117.268   3.5564  123.238   6.0974  2133.72   32.419  2183.44   54.317 -49.71973 63.25613 
1 1 1   11    8   25 o  527.406   33.771   6.9912   0.8736   6.5765   1.0702   7.8196   1.5126  504.909   41.228  549.903   53.500 -44.99393 67.54269 
1 1 1   11    8   27 o  1248.04   31.230   38.623   1.7691   36.940   2.0438   43.650   3.5328  1197.22   33.204  1298.87   52.904 -101.6495 62.46056 
1 1 1   11    8   29 o  1859.16   33.326   91.730   2.7362   94.122   3.1698   84.738   5.4197  1910.85   32.265  1807.47   58.322 103.3879 66.65223 
1 1 1   11    8   31 o  887.892   40.319   20.369   1.8405   20.369   1.8405   0.0000   0.0000  887.892   40.319  ?   ?       ?      ? 
1 1 1   11    8   33 o  1080.14   32.407   29.533   1.5758   28.793   1.8199   31.751   3.1496  1055.89   33.524  1104.38   55.471 -48.49414 64.81470 
1 1 1   11    8   35 o  495.149   41.653   6.4271   1.0579   5.9013   1.4895   6.9622   1.5028  474.353   61.076  515.945   56.654 -41.59146 83.30630 
1 1 1   11    8   37 o  691.714   36.338   12.648   1.2112   12.900   1.4843   12.145   2.0952  704.375   40.987  679.052   60.015 25.32361 72.67599 
1 1 1   11    8   39 o  668.017   35.273   11.477   1.1579   10.935   1.4255   12.527   1.9850  647.153   42.845  688.880   56.046 -41.72748 70.54694 
1 1 1   11    8   41 o  610.286   42.233   9.7562   1.3251   9.7562   1.3251   0.0000   0.0000  610.286   42.233  ?   ?       ?      ? 
1 1 1   11    8   43 o  594.357   34.796   9.2248   1.0633   9.2248   1.0633   0.0000   0.0000  594.357   34.796  ?   ?       ?      ? 
1 1 1   11    8   45 o  614.599   42.904   9.9904   1.3557   9.9904   1.3557   0.0000   0.0000  614.599   42.904  ?   ?       ?      ? 
1 1 1   11    8   47 o  493.996   39.981   7.2259   0.8329   7.8282   0.9670   5.4939   1.6398  546.016   34.446  441.976   72.162 104.0403 79.96191 
1 1 1   11    8   49 o  215.150   39.613   1.3239   0.4075   1.3642   0.4720   1.2060   0.8074  222.805   42.760  207.495   66.695 15.31078 79.22533 
1 1 1   11    8   51 o  609.805   47.155   10.640   1.4409   7.9921   1.9994   13.500   2.0783  523.183   74.332  696.427   58.044 -173.2435 94.31044 
1 1 1   11    8   53 o  446.767   40.456   5.6484   0.8646   5.6959   1.0545   5.5512   1.5104  457.264   44.856  436.270   67.341 20.99417 80.91277 
1 1 1   11    8   55 o  200.558   44.896   1.1968   0.5221   1.3865   0.7493   1.0177   0.7279  213.856   63.523  187.261   63.463 26.59520 89.79269 
1 1 1   11    8   57 o  330.841   44.393   3.1640   0.7025   2.6164   0.8650   4.2246   1.2039  293.277   59.407  368.404   65.983 -75.12692 88.78574 
1 1 1   11    9    0 o   91.553   49.171   0.3075   0.3190   0.3075   0.3190   0.0000   0.0000   91.553   49.171   91.553   49.171 0.000000 0.000000 
1 1 1   11    9    2 o  450.168   46.130   5.7774   0.8746   6.2437   1.0240   4.5199   1.6817  491.773   40.501  408.564   82.894 83.20941 92.25916 
1 1 1   11    9    4 o  1471.65   39.336   57.152   2.2820   57.729   2.5263   54.597   5.3184  1496.30   32.840  1447.00   71.490 49.30481 78.67175 
1 1 1   11    9    6 o  617.115   38.867   10.135   0.9529   10.289   1.0587   9.4806   2.1863  631.600   32.605  602.631   70.566 28.96906 77.73413 
1 1 1   11    9    8 o  1468.30   37.354   56.959   2.2154   57.604   2.4712   54.319   5.0000  1494.27   32.167  1442.32   67.428 51.94495 74.70778 
1 1 1   11    9   10 o  511.693   36.147   6.5320   0.8683   6.1776   1.0229   7.4457   1.6422  488.721   40.711  534.666   59.741 -45.94528 72.29393 
1 1 1   11    9   12 o  1046.61   33.169   27.626   1.4900   27.031   1.6844   29.768   3.1954  1023.56   32.008  1069.65   58.105 -46.09595 66.33751 
1 1 1   11    9   14 o  1026.57   34.325   26.793   1.6877   25.964   2.0300   28.648   3.0371  1002.60   39.383  1050.55   56.230 -47.95703 68.64982 
1 1 1   11    9   16 o  1477.46   33.753   55.426   2.4204   53.495   2.9451   59.444   4.2482  1439.78   39.786  1515.15   54.536 -75.37195 67.50617 
1 1 1   11    9   18 o  246.512   32.889   1.5656   0.4168   1.5656   0.4168   0.0000   0.0000  246.512   32.889  ?   ?       ?      ? 
1 1 1   11    9   20 o  787.524   33.284   16.661   1.1466   17.306   1.3270   14.759   2.2775  819.748   31.487  755.300   58.650 64.44812 66.56741 
1 1 1   11    9   22 o  383.018   34.655   3.8480   0.6416   3.9728   0.7908   3.6075   1.0978  392.561   39.180  373.474   57.173 19.08707 69.30990 
1 1 1   11    9   24 f  2592.82   31.713  171.460   3.6996  169.312   4.2830  177.774   7.3426  2563.68   32.495  2621.95   54.470 -58.27075 63.42623 
1 1 1   11    9   26 o  1188.76   33.813   38.272   1.7595   40.059   2.0420   33.119   3.4676  1246.92   31.852  1130.59   59.655 116.3322 67.62637 
1 1 1   11    9   28 o  1325.33   32.924   46.151   1.9377   46.921   2.2449   43.902   3.8371  1349.24   32.363  1301.42   57.347 47.81287 65.84882 
1 1 1   11    9   30 o  1892.86   40.159   92.552   3.9081   92.552   3.9081   0.0000   0.0000  1892.86   40.159  ?   ?       ?      ? 
1 1 1   11    9   32 o  615.571   39.563   10.886   1.1077   12.774   1.3684   7.2981   1.8865  703.051   37.857  528.092   69.482 174.9582 79.12640 
1 1 1   11    9   34 o  1666.35   33.022   72.109   2.4593   72.066   2.8467   72.233   4.8831  1669.81   33.159  1662.90   57.116 6.903687 66.04386 
1 1 1   11    9   36 o  1225.27   35.356   39.265   2.1026   39.403   2.5831   38.995   3.6197  1231.63   40.793  1218.90   57.760 12.72778 70.71277 
1 1 1   11    9   38 f  777.187   32.926   15.415   1.1508   15.026   1.3290   16.583   2.3010  761.085   33.963  793.289   56.418 -32.20428 65.85212 
1 1 1   11    9   40 o  658.201   35.896   11.256   1.1514   10.920   1.4096   11.931   1.9956  646.070   42.438  670.333   57.906 -24.26276 71.79232 
1 1 1   11    9   42 o  173.354   60.189   0.7396   0.6558   0.7396   0.6558   0.0000   0.0000  173.354   60.189  ?   ?       ?      ? 
1 1 1   11    9   44 o  522.302   43.117   7.2041   1.1578   7.2041   1.1578   0.0000   0.0000  522.302   43.117  ?   ?       ?      ? 
1 1 1   11    9   46 o  341.508   37.436   3.0702   0.6573   3.0702   0.6573   0.0000   0.0000  341.508   37.436  ?   ?       ?      ? 
1 1 1   11    9   48 o  460.564   36.060   5.5911   0.8538   5.5911   0.8538   0.0000   0.0000  460.564   36.060  ?   ?       ?      ? 
1 1 1   11    9   50 o  395.861   35.723   4.1005   0.6472   3.9116   0.7529   4.6351   1.2669  383.754   38.159  407.968   60.402 -24.21399 71.44575 
1 1 1   11    9   52 f  180.691   40.846   0.8944   0.4088   0.8619   0.4945   0.9644   0.7264  174.781   51.522  186.600   63.395 -11.81932 81.69131 
1 1 1   11    9   54 o  175.752   43.532   0.8393   0.4894   1.0215   0.7033   0.6681   0.6815  188.203   62.366  163.301   60.749 24.90149 87.06311 
1 1 1   11    9   56 o  225.835   46.319   1.5475   0.6258   0.7073   0.8750   2.4274   0.8955  170.796   67.450  280.875   63.501 -110.0793 92.63887 
1 1 1   11   10    1 o  666.318   27.177   11.420   0.9123   11.255   1.1744   11.671   1.4490  660.550   34.580  672.086   41.935 -11.53632 54.35345 
1 1 1   11   10    3 o  190.079   29.019   0.9333   0.2725   0.7464   0.3512   1.2164   0.4322  166.694   41.211  213.465   40.866 -46.77165 58.03763 
1 1 1   11   10    5 o  1862.48   40.589   90.316   3.4249   90.532   3.9963   89.718   6.6466  1871.40   41.536  1853.57   69.746 17.82788 81.17738 
1 1 1   11   10    7 o  1348.64   38.819   46.653   2.4026   45.934   2.8121   48.597   4.6234  1332.78   41.040  1364.51   65.904 -31.73755 77.63762 
1 1 1   11   10    9 o  1315.96   39.215   46.190   2.3386   47.602   2.7500   42.503   4.4447  1356.89   39.420  1275.03   67.803 81.86377 78.42970 
1 1 1   11   10   11 o  709.652   36.781   13.044   1.2142   13.006   1.4378   13.137   2.2669  709.325   39.425  709.978   62.105 -0.6528931 73.56226 
1 1 1   11   10   13 o  360.544   39.953   3.6473   0.6355   3.9478   0.7601   2.9496   1.1581  391.003   37.811  330.084   70.393 60.91956 79.90534 
1 1 1   11   10   15 f  1059.47   40.527   29.250   2.1955   31.592   3.0408   26.700   3.1733  1104.56   53.547  1014.38   60.847 90.18005 81.05337 
1 1 1   11   10   17 o  1029.24   32.000   27.290   1.6933   27.290   1.6933   0.0000   0.0000  1029.24   32.000  ?   ?       ?      ? 
1 1 1   11   10   19 o  1638.00   32.185   69.585   2.3442   69.933   2.7091   68.550   4.6764  1647.79   31.978  1628.20   55.864 19.58936 64.36942 
1 1 1   11   10   21 o  533.356   35.447   7.5551   0.9009   7.9449   1.1023   6.7709   1.5636  555.167   38.619  511.546   59.453 43.62128 70.89489 
1 1 1   11   10   23 o  791.278   32.971   16.486   1.1536   16.809   1.3347   15.529   2.2936  807.822   32.136  774.733   57.582 33.08881 65.94275 
1 1 1   11   10   25 o  859.572   33.978   18.882   1.4246   18.449   1.7471   19.739   2.4610  845.695   40.182  873.450   54.803 -27.75525 67.95599 
1 1 1   11   10   27 o  2274.31   32.266  133.367   3.2865  133.080   3.8055  134.210   6.5193  2272.33   32.574  2276.28   55.707 -3.946533 64.53127 
1 1 1   11   10   29 o  2031.10   34.183  105.373   3.3931  102.426   4.1655  111.184   5.8495  1991.41   40.685  2070.79   54.943 -79.38281 68.36680 
1 1 1   11   10   31 o  326.442   40.507   3.2868   0.5452   3.7396   0.6340   2.0021   1.0679  380.734   32.389  272.151   74.258 108.5827 81.01462 
1 1 1   11   10   33 o  1860.39   32.952   89.730   2.7402   89.615   3.1713   90.070   5.4437  1862.51   33.118  1858.27   56.979 4.240234 65.90479 
1 1 1   11   10   35 o  1205.88   34.819   37.204   2.0504   35.733   2.5095   40.160   3.5561  1173.08   41.609  1238.68   55.841 -65.59558 69.63834 
1 1 1   11   10   37 o  1039.98   35.347   29.700   1.5972   31.086   1.8493   25.630   3.1690  1095.38   32.838  984.583   62.603 110.7977 70.69302 
1 1 1   11   10   39 o  981.888   36.154   27.105   1.5341   28.885   1.7831   22.037   3.0094  1054.86   32.879  908.919   64.400 145.9368 72.30794 
1 1 1   11   10   41 o  584.502   42.199   8.9581   1.2681   8.9581   1.2681   0.0000   0.0000  584.502   42.199  ?   ?       ?      ? 
1 1 1   11   10   43 o  682.230   36.354   12.333   1.2092   12.192   1.4884   12.606   2.0737  680.292   42.556  684.169   58.954 -3.877014 72.70876 
1 1 1   11   10   45 o  288.628   46.482   2.3478   0.6828   3.1257   1.0051   1.6808   0.9306  334.498   60.678  242.758   70.432 91.73944 92.96500 
1 1 1   11   10   47 o  215.603   50.161   1.2970   0.5456   1.2970   0.5456   0.0000   0.0000  215.603   50.161  ?   ?       ?      ? 
1 1 1   11   10   49 o  678.576   35.629   12.158   1.2430   12.158   1.2430   0.0000   0.0000  678.576   35.629  ?   ?       ?      ? 
1 1 1   11   10   51 o  439.200   66.715   5.5224   1.5064   5.5224   1.5064   0.0000   0.0000  439.200   66.715  ?   ?       ?      ? 
1 1 1   11   10   53 o  357.156   40.789   3.5060   0.6207   3.3696   0.7096   3.9505   1.2810  353.852   39.003  360.460   71.649 -6.607635 81.57724 
1 1 1   11   10   55 o  192.515   46.266   1.1004   0.5675   1.3916   0.7396   0.6836   0.8848  213.796   63.011  171.235   67.763 42.56073 92.53195 
1 1 1   11   11    0 o  519.735   38.132   7.2568   0.9782   7.7190   1.3205   6.6949   1.4561  540.586   48.406  498.885   58.931 0.000000 0.000000 
1 1 1   11   11    2 o  1009.73   27.500   26.381   1.3958   26.539   1.7979   26.141   2.2147  1014.08   34.484  1005.39   42.846 8.690186 54.99977 
1 1 1   11   11    4 o  472.198   29.983   5.7665   0.7276   5.7432   1.0132   5.7914   1.0455  471.251   41.818  473.145   42.980 -1.893677 59.96688 
1 1 1   11   11    6 o  1054.86   38.346   28.683   1.9265   29.513   3.4704   28.314   2.3161  1063.74   63.456  1045.98   43.069 17.75757 76.69164 
1 1 1   11   11    8 f  662.546   29.561   11.399   1.0031   12.049   1.3870   10.686   1.4524  682.664   39.519  642.427   43.975 40.23663 59.12292 
1 1 1   11   11   10 o  509.733   35.206   6.5713   0.8859   7.3284   1.5105   6.1743   1.0938  531.033   55.325  488.433   43.556 42.59958 70.41280 
1 1 1   11   11   12 o  1410.33   36.894   51.780   2.4096   52.060   2.8507   51.081   4.5093  1419.67   39.056  1400.99   62.604 18.67334 73.78781 
1 1 1   11   11   14 o  3013.38   40.513  234.624   6.2649  222.527   8.5483  248.661   9.2084  2929.99   56.747  3096.76   57.837 -166.7754 81.02657 
1 1 1   11   11   16 o  896.040   38.939   20.706   1.7938   20.706   1.7938   0.0000   0.0000  896.040   38.939  ?   ?       ?      ? 
1 1 1   11   11   18 o  1517.23   35.059   60.499   2.5372   62.382   3.0884   56.590   4.4499  1555.57   38.617  1478.89   58.525 76.68689 70.11769 
1 1 1   11   11   20 o  985.789   33.783   24.749   1.6209   24.069   1.9812   26.125   2.8190  966.220   39.883  1005.36   54.538 -39.13861 67.56500 
1 1 1   11   11   22 o  1632.70   33.544   67.505   2.6788   64.725   3.2823   73.051   4.6359  1584.30   40.297  1681.10   53.637 -96.80115 67.08805 
1 1 1   11   11   24 o  512.636   30.002   6.0361   0.7094   5.2271   0.8160   8.5395   1.4354  450.339   35.244  574.932   48.562 -124.5925 60.00380 
1 1 1   11   11   26 o  1450.76   32.589   54.751   2.1084   55.137   2.4416   53.619   4.1806  1462.71   32.468  1438.81   56.515 23.90552 65.17730 
1 1 1   11   11   28 o  579.526   33.561   8.1323   0.9573   6.9050   1.1658   10.673   1.6772  516.938   43.864  642.113   50.806 -125.1748 67.12182 
1 1 1   11   11   30 f  903.577   33.080   21.061   1.5367   21.061   1.5367   0.0000   0.0000  903.577   33.080  ?   ?       ?      ? 
1 1 1   11   11   32 o  599.910   38.338   10.067   1.0696   11.409   1.3208   7.5104   1.8233  664.137   38.682  535.683   66.203 128.4536 76.67543 
1 1 1   11   11   34 o  1090.64   33.211   30.843   1.6175   30.743   1.8703   31.141   3.2214  1090.31   33.365  1090.96   57.433 -0.6516113 66.42142 
1 1 1   11   11   36 o  730.315   36.841   14.484   1.2854   15.570   1.5892   12.431   2.1857  774.083   39.933  686.547   61.922 87.53619 73.68169 
1 1 1   11   11   38 o  782.243   34.868   16.597   1.2012   17.166   1.3945   14.961   2.3651  813.381   33.347  751.105   61.246 62.27533 69.73557 
1 1 1   11   11   40 o  150.200   47.021   0.5896   0.4036   0.5896   0.4036   0.0000   0.0000  150.200   47.021  ?   ?       ?      ? 
1 1 1   11   11   42 o  843.429   38.289   19.865   1.5290   21.716   1.8909   16.369   2.5987  909.648   40.431  777.210   65.035 132.4380 76.57828 
1 1 1   11   11   44 f  705.038   37.634   14.212   1.1427   15.125   1.3278   11.604   2.2437  760.345   33.967  649.731   67.168 110.6146 75.26860 
1 1 1   11   11   46 o  820.173   36.047   17.336   1.4557   15.633   1.7823   20.748   2.5226  766.040   45.255  874.307   56.120 -108.2670 72.09392 
1 1 1   11   11   48 o  359.757   38.432   3.2298   0.6629   2.5073   0.8007   4.8034   1.1817  299.781   53.938  419.733   54.762 -119.9521 76.86415 
1 1 1   11   11   50 o  233.305   51.825   1.5396   0.6055   1.5396   0.6055   0.0000   0.0000  233.305   51.825  ?   ?       ?      ? 
1 1 1   11   11   52 o  470.953   36.897   5.9241   0.8934   5.9241   0.8934   0.0000   0.0000  470.953   36.897  ?   ?       ?      ? 
1 1 1   11   11   54 o  155.631   45.682   0.6836   0.3894   0.6836   0.3894   0.0000   0.0000  155.631   45.682  ?   ?       ?      ? 
1 1 1   11   11   56 f  210.183   41.002   1.4025   0.4551   1.5655   0.5502   1.0496   0.8095  232.422   47.648  187.945   66.742 44.47784 82.00461 
1 1 1   11   12    1 o  534.365   27.615   7.3603   0.7481   7.2628   0.9768   7.4986   1.1635  530.325   35.825  538.404   42.034 -8.079468 55.22968 
1 1 1   11   12    3 f  561.488   28.006   8.1261   0.7984   7.9989   1.0460   8.3036   1.2359  556.476   36.562  566.500   42.434 -10.02393 56.01252 
1 1 1   11   12    5 o  899.398   29.859   20.921   1.3800   20.613   1.9170   21.253   1.9882  892.586   41.774  906.209   42.674 -13.62299 59.71732 
1 1 1   11   12    7 o  483.769   29.895   6.0454   0.7414   5.4295   1.0268   6.7161   1.0716  457.974   43.609  509.565   40.904 -51.59103 59.79022 
1 1 1   11   12    9 o  136.694   33.753   0.3775   0.3187   0.6917   0.4314   0.0000   0.4729  162.316   48.197  111.072   47.265 51.24444 67.50533 
1 1 1   11   12   11 o  257.836   31.397   1.7983   0.3962   2.1642   0.5417   1.3771   0.5811  289.563   36.385  226.108   51.179 63.45512 62.79457 
1 1 1   11   12   13 o  349.474   39.373   3.1648   0.7074   3.1606   0.9989   3.1691   1.0020  349.243   55.631  349.705   55.733 -0.4618835 78.74608 
1 1 1   11   12   15 o  559.067   33.860   8.0212   0.9153   7.9196   1.1151   8.2308   1.6025  554.137   39.139  563.997   55.264 -9.859375 67.71975 
1 1 1   11   12   17 o  991.917   34.735   25.099   1.6459   24.585   1.9797   26.250   2.9621  976.476   39.433  1007.36   57.194 -30.88232 69.46995 
1 1 1   11   12   19 o  1191.17   34.137   36.097   1.9626   35.120   2.3790   38.177   3.4726  1167.16   39.646  1215.18   55.584 -48.02612 68.27408 
1 1 1   11   12   21 o  1561.73   39.621   63.109   3.1794   64.919   4.4676   61.252   4.5257  1584.63   54.837  1538.84   57.204 45.79285 79.24255 
1 1 1   11   12   23 o  530.162   34.393   7.1623   0.8859   6.9679   1.0810   7.5599   1.5462  519.754   40.453  540.571   55.633 -20.81702 68.78584 
1 1 1   11   12   25 f  693.894   33.527   11.948   1.1421   10.900   1.3941   14.086   1.9915  649.859   41.725  737.928   52.492 -88.06866 67.05465 
1 1 1   11   12   27 o  1169.38   40.051   35.447   2.4044   37.993   3.4280   32.981   3.3734  1210.98   55.060  1127.77   58.180 83.21289 80.10297 
1 1 1   11   12   29 o  665.369   33.132   11.419   1.1334   11.419   1.1334   0.0000   0.0000  665.369   33.132  ?   ?       ?      ? 
1 1 1   11   12   31 o  1322.30   35.152   45.654   2.2478   46.224   2.7570   44.523   3.8821  1336.85   40.112  1307.75   57.739 29.10205 70.30463 
1 1 1   11   12   33 o  1200.67   34.423   38.912   1.8103   40.331   2.0963   34.750   3.5906  1249.23   32.639  1152.11   60.618 97.11975 68.84634 
1 1 1   11   12   35 o  985.272   35.391   25.222   1.6944   24.959   2.0768   25.746   2.9303  980.099   41.214  990.446   57.546 -10.34662 70.78264 
1 1 1   11   12   37 o  478.658   32.027   5.4779   0.7061   4.9191   0.8150   7.1612   1.4144  435.178   36.426  522.137   52.689 -86.95926 64.05460 
1 1 1   11   12   39 o  1113.23   35.754   32.469   1.9355   32.089   2.3745   33.221   3.3412  1107.92   41.687  1118.55   58.100 -10.63696 71.50822 
1 1 1   11   12   41 o  736.738   36.013   14.231   1.2927   13.904   1.5854   14.880   2.2331  727.670   42.378  745.805   58.239 -18.13489 72.02534 
1 1 1   11   12   43 o  264.462   38.156   2.0324   0.4486   2.1755   0.5232   1.6349   0.8719  288.318   35.297  240.606   67.659 47.71175 76.31232 
1 1 1   11   12   45 f  556.040   38.729   8.5795   1.0265   9.0436   1.2616   7.6702   1.7657  584.463   41.984  527.617   65.093 56.84589 77.45794 
1 1 1   11   12   47 o  469.517   32.633   5.2993   0.7133   4.5842   0.8260   7.3960   1.4144  416.378   38.585  522.656   52.637 -106.2781 65.26505 
1 1 1   11   12   49 o  551.223   37.029   8.0044   1.0004   7.3871   1.2226   9.2552   1.7403  524.147   45.369  578.300   58.533 -54.15295 74.05726 
1 1 1   11   12   51 o  525.486   51.615   8.4021   1.2559   11.661   1.7745   5.1311   1.7778  649.420   53.147  401.551   88.497 247.8691 103.2296 
1 1 1   11   12   53 o  288.079   43.539   2.0950   0.5864   1.4959   0.6893   3.6635   1.1154  224.822   58.924  351.335   64.113 -126.5131 87.07754 
1 1 1   11   12   55 o  156.486   47.914   0.6973   0.4217   0.6973   0.4217   0.0000   0.0000  156.486   47.914  ?   ?       ?      ? 
1 1 1   11   13    0 o  1076.88   36.266   30.299   1.9835   28.739   2.9354   31.609   2.6908  1050.23   54.703  1103.52   47.630 -0.000000 0.000000 
1 1 1   11   13    2 o  560.790   26.074   8.1367   0.7506   7.8323   1.0781   8.4232   1.0457  550.499   38.091  571.081   35.617 -20.58234 52.14863 
1 1 1   11   13    4 o  484.662   28.172   6.0658   0.6917   6.0265   0.9029   6.1215   1.0762  483.005   36.360  486.319   43.041 -3.313599 56.34394 
1 1 1   11   13    6 o  371.826   30.091   3.5888   0.5733   3.7894   0.7948   3.3712   0.8278  382.814   40.384  360.837   44.620 21.97650 60.18164 
1 1 1   11   13    8 o  1000.78   38.391   25.188   1.7665   24.234   2.0594   27.847   3.4367  968.112   41.376  1033.45   64.681 -65.34088 76.78295 
1 1 1   11   13   10 o  671.803   35.580   12.025   1.1717   10.471   1.9031   12.974   1.4869  634.971   58.295  708.635   40.811 -73.66339 71.16071 
1 1 1   11   13   12 o  250.448   40.814   1.7034   0.5214   2.1656   0.7349   1.2350   0.7399  284.887   52.098  216.008   62.841 68.87891 81.62827 
1 1 1   11   13   14 o  707.503   28.596   12.940   1.0372   13.343   1.4278   12.490   1.5092  719.306   38.608  695.700   42.195 23.60571 57.19252 
1 1 1   11   13   16 o  1681.47   28.183   72.896   2.4338   72.722   3.3649   73.086   3.5247  1679.48   38.969  1683.45   40.724 -3.969727 56.36508 
1 1 1   11   13   18 f  1544.63   28.137   61.478   2.2334   60.441   3.1028   62.593   3.2174  1531.16   39.415  1558.10   40.165 -26.93945 56.27351 
1 1 1   11   13   20 o  515.503   41.007   6.8833   1.0695   5.3574   1.4742   8.5787   1.5539  454.815   63.044  576.191   52.457 -121.3758 82.01370 
1 1 1   11   13   22 o  1636.57   34.509   68.940   2.7233   68.484   3.3140   69.888   4.7792  1629.61   39.554  1643.52   56.560 -13.90991 69.01875 
1 1 1   11   13   24 o  1644.69   35.192   71.465   2.7754   74.478   3.4048   65.498   4.7914  1699.26   38.973  1590.13   58.608 109.1313 70.38368 
1 1 1   11   13   26 o  221.938   37.470   1.4394   0.4285   1.7811   0.5227   0.7396   0.7481  262.724   38.695  181.151   64.178 81.57315 74.94089 
1 1 1   11   13   28 o  2035.68   40.093  107.037   4.1961  107.037   4.1961   0.0000   0.0000  2035.68   40.093  ?   ?       ?      ? 
1 1 1   11   13   30 o  235.700   38.612   1.4086   0.4402   1.1966   0.5380   1.8379   0.7656  210.633   50.365  260.766   58.539 -50.13258 77.22349 
1 1 1   11   13   32 o  639.784   36.021   10.767   1.1111   11.000   1.3624   10.303   1.9198  651.642   40.666  627.926   59.467 23.71631 72.04173 
1 1 1   11   13   34 o  1108.18   32.297   30.677   1.6186   29.349   1.8669   34.697   3.2479  1064.82   34.102  1151.54   54.859 -86.71082 64.59492 
1 1 1   11   13   36 o  692.174   33.545   12.397   1.0402   12.270   1.2031   12.774   2.0704  687.950   34.015  696.397   57.827 -8.447693 67.08978 
1 1 1   11   13   38 o  483.618   33.675   5.8787   0.7318   5.6206   0.8415   6.6799   1.4827  464.977   35.199  502.259   57.421 -37.28214 67.35070 
1 1 1   11   13   40 o  232.539   36.860   1.4113   0.4407   1.4113   0.4407   0.0000   0.0000  232.539   36.860  ?   ?       ?      ? 
1 1 1   11   13   42 o  363.142   37.987   3.4427   0.6708   3.2817   0.8168   3.7761   1.1754  352.441   45.079  373.843   61.155 -21.40182 75.97379 
1 1 1   11   13   44 o  433.001   33.903   4.5851   0.6628   4.1783   0.7581   5.9043   1.3652  398.781   36.978  467.220   56.835 -68.43863 67.80550 
1 1 1   11   13   46 o  814.774   35.167   17.825   1.2747   17.813   1.4752   17.859   2.5323  823.282   34.852  806.265   61.090 17.01685 70.33307 
1 1 1   11   13   48 o  489.614   35.363   6.3251   0.8902   6.3251   0.8902   0.0000   0.0000  489.614   35.363  ?   ?       ?      ? 
1 1 1   11   13   50 o  501.296   36.260   6.6729   0.9345   6.6729   0.9345   0.0000   0.0000  501.296   36.260  ?   ?       ?      ? 
1 1 1   11   13   52 o  649.487   40.150   12.121   1.2394   12.593   1.5174   11.174   2.1480  680.888   43.347  618.086   67.596 62.80176 80.30039 
1 1 1   11   13   54 o  132.077   36.815   0.3417   0.3616   0.3422   0.4626   0.3409   0.5796  128.016   49.479  136.139   54.526 -8.123672 73.62905 
1 1 1   11   13   56 o  478.396   43.293   6.8986   0.9712   6.9754   1.1725   6.7308   1.7336  497.902   45.803  458.891   73.480 39.01132 86.58686 
1 1 1   11   14    1 o  2101.99   27.989  113.853   3.0064  110.987   4.0135  117.516   4.5379  2072.52   37.667  2131.46   41.410 -58.94043 55.97853 
1 1 1   11   14    3 o  949.329   28.398   23.230   1.3779   22.676   1.8417   23.936   2.0767  936.745   38.241  961.912   41.992 -25.16669 56.79541 
1 1 1   11   14    5 o  1034.94   30.252   27.708   1.6094   27.075   2.2673   28.352   2.2850  1022.95   43.110  1046.92   42.453 -23.96338 60.50393 
1 1 1   11   14    7 o  548.377   44.132   7.7886   1.2054   7.6717   1.5215   7.9857   1.9757  543.695   54.430  553.060   69.482 -9.365051 88.26317 
1 1 1   11   14    9 o  292.631   43.748   2.2135   0.6582   0.0000   0.0000   2.2135   0.6582  ?   ?   292.631   43.748      ?      ? 
1 1 1   11   14   11 o  1267.40   34.002   41.446   2.1049   41.267   2.5968   41.788   3.5944  1264.54   39.942  1270.27   55.038 -5.729980 68.00446 
1 1 1   11   14   13 o  1493.48   28.876   57.768   2.2076   60.861   3.0390   54.313   3.2122  1536.26   38.476  1450.70   43.068 85.56421 57.75206 
1 1 1   11   14   15 f  2230.41   28.455  128.467   3.2556  131.443   4.4878  125.161   4.7299  2257.98   38.658  2202.84   41.764 55.14307 56.90970 
1 1 1   11   14   17 o  1290.48   28.210   42.895   1.8703   41.923   2.5854   43.962   2.7089  1275.20   39.435  1305.77   40.351 -30.56396 56.42094 
1 1 1   11   14   19 o  2149.64   35.305  119.483   3.6019  119.707   4.3325  118.980   6.4817  2154.85   39.107  2144.43   58.791 10.41968 70.60928 
1 1 1   11   14   21 o  778.141   34.211   15.607   1.3059   15.742   2.2099   15.535   1.6188  780.185   55.095  776.098   40.571 4.086853 68.42122 
1 1 1   11   14   23 o  1352.70   34.685   47.186   2.2593   47.001   2.7477   47.574   3.9697  1349.85   39.593  1355.56   56.960 -5.717041 69.36951 
1 1 1   11   14   25 o  875.408   35.335   20.112   1.4834   20.662   1.8123   18.997   2.5821  894.811   39.394  856.005   58.672 38.80627 70.67036 
1 1 1   11   14   27 o  1410.56   56.632   51.617   4.1070   51.617   4.1070   0.0000   0.0000  1410.56   56.632  ?   ?       ?      ? 
1 1 1   11   14   29 o  855.239   34.496   18.520   1.4384   17.653   1.7545   20.298   2.5122  826.347   41.296  884.130   55.267 -57.78302 68.99146 
1 1 1   11   14   31 o  634.785   41.811   10.579   1.3517   12.221   1.9113   8.9370   1.9119  685.094   54.262  584.476   63.625 100.6190 83.62160 
1 1 1   11   14   33 o  436.569   35.364   4.8483   0.7558   4.5940   0.9252   5.3583   1.3103  420.590   42.788  452.548   56.317 -31.95883 70.72772 
1 1 1   11   14   35 o  1404.82   35.379   51.426   2.4128   51.044   2.9569   52.186   4.1738  1400.97   41.053  1408.67   57.631 -7.700806 70.75811 
1 1 1   11   14   37 o  650.714   40.319   12.840   1.0710   14.405   1.2427   8.3247   2.1112  745.220   32.436  556.209   73.828 189.0112 80.63892 
1 1 1   11   14   39 o  331.487   43.066   2.8801   0.7340   2.8801   0.7340   0.0000   0.0000  331.487   43.066  ?   ?       ?      ? 
1 1 1   11   14   41 o  188.721   39.176   0.8526   0.3783   0.6593   0.4475   1.3368   0.7081  158.047   49.520  219.395   60.720 -61.34755 78.35287 
1 1 1   11   14   43 o  795.646   33.954   16.381   1.2096   15.905   1.3939   17.832   2.4345  779.377   34.786  811.916   58.321 -32.53937 67.90752 
1 1 1   11   14   45 o  551.338   37.601   8.2294   1.0034   8.2840   1.2328   8.1221   1.7272  558.638   42.923  544.038   61.750 14.59967 75.20289 
1 1 1   11   14   47 o  127.922   33.107   0.3665   0.2574   0.3865   0.2945   0.3017   0.5298  122.775   40.341  133.070   52.507 -10.29530 66.21459 
1 1 1   11   14   49 o  480.579   44.249   6.2112   1.0933   6.2112   1.0933   0.0000   0.0000  480.579   44.249  ?   ?       ?      ? 
1 1 1   11   14   51 o  489.723   48.558   7.8455   1.0029   9.3539   1.2320   4.8830   1.7265  589.607   40.642  389.838   88.204 199.7691 97.11668 
1 1 1   11   14   53 o  218.727   39.815   1.4997   0.4197   1.6319   0.4733   1.0132   0.9077  246.158   37.399  191.297   70.301 54.86131 79.63010 
1 1 1   11   14   55 o  312.599   36.592   2.1626   0.5048   1.5136   0.5692   4.5512   1.0921  227.434   50.040  397.765   53.403 -170.3318 73.18387 
1 1 1   11   15    0 o  560.510   45.835   8.3592   1.2546   7.9689   1.6220   8.9405   1.9795  545.703   59.621  575.318   69.633 -0.000000 0.000000 
1 1 1   11   15    2 o  641.603   31.397   10.626   1.0325   10.979   1.5305   10.331   1.3988  651.234   45.713  631.972   43.051 19.26221 62.79381 
1 1 1   11   15    4 o  1025.00   31.425   27.272   1.6492   25.905   2.4061   28.483   2.2649  1000.34   46.784  1049.66   41.970 -49.31506 62.85098 
1 1 1   11   15    6 o  823.064   34.987   17.479   1.4347   17.802   2.3473   17.287   1.8126  828.382   55.115  817.746   43.114 10.63647 69.97462 
1 1 1   11   15    8 o  789.714   54.644   16.161   2.2186   0.0000   0.0000   16.161   2.2186  ?   ?   789.714   54.644      ?      ? 
1 1 1   11   15   10 f  798.263   33.973   16.360   1.3327   16.101   1.6511   16.843   2.2576  789.879   40.658  806.646   54.438 -16.76691 67.94520 
1 1 1   11   15   12 o  1021.36   28.949   26.863   1.5180   26.070   2.0820   27.763   2.2180  1005.35   40.281  1037.37   41.588 -32.01941 57.89724 
1 1 1   11   15   14 o  1200.87   28.582   37.101   1.7624   35.516   2.4181   38.897   2.5739  1173.60   40.075  1228.13   40.765 -54.52844 57.16451 
1 1 1   11   15   16 o  1730.01   28.399   77.124   2.5226   76.352   3.4717   77.987   3.6717  1720.96   39.238  1739.06   41.066 -18.09668 56.79787 
1 1 1   11   15   18 o  735.694   28.506   13.969   1.0766   14.245   1.4913   13.669   1.5558  743.354   39.022  728.034   41.564 15.32001 57.01145 
1 1 1   11   15   20 o  686.524   35.139   12.294   1.1794   11.784   1.9838   12.572   1.4668  674.877   57.176  698.172   40.863 -23.29462 70.27699 
1 1 1   11   15   22 o  1602.29   28.274   66.216   2.3285   65.832   3.2505   66.622   3.3372  1597.56   39.575  1607.01   40.392 -9.444946 56.54865 
1 1 1   11   15   24 o  874.684   28.478   19.758   1.2798   20.285   1.7945   19.212   1.8257  886.633   39.368  862.735   41.161 23.89783 56.95673 
1 1 1   11   15   26 o  736.359   56.855   14.063   2.1524   14.063   2.1524   0.0000   0.0000  736.359   56.855  ?   ?       ?      ? 
1 1 1   11   15   28 o  302.674   36.897   2.2113   0.5344   1.8447   0.6409   3.0475   0.9679  262.679   49.267  342.669   54.939 -79.98999 73.79365 
1 1 1   11   15   30 o  326.264   38.236   2.7607   0.5853   2.6646   0.7080   2.9683   1.0401  320.737   42.935  331.792   63.280 -11.05435 76.47117 
1 1 1   11   15   32 o  987.679   35.188   25.240   1.6867   24.907   2.0630   25.912   2.9291  979.982   40.946  995.377   57.237 -15.39502 70.37521 
1 1 1   11   15   34 o  1153.14   34.993   34.040   1.9682   32.618   2.4051   36.924   3.4249  1120.04   41.766  1186.23   56.158 -66.20032 69.98630 
1 1 1   11   15   36 o  488.958   42.590   7.0173   0.9132   8.1176   1.1219   4.8568   1.5721  558.499   39.071  419.417   75.689 139.0826 85.17899 
1 1 1   11   15   38 o  808.516   41.714   17.096   1.7340   17.096   1.7340   0.0000   0.0000  808.516   41.714  ?   ?       ?      ? 
1 1 1   11   15   40 f  539.649   33.464   7.4472   0.8138   7.1940   0.9394   8.2083   1.6289  525.153   34.793  554.146   57.173 -28.99261 66.92821 
1 1 1   11   15   42 f  287.120   37.829   2.2625   0.4706   2.2792   0.5429   2.2120   0.9436  295.014   35.793  279.225   66.655 15.78934 75.65740 
1 1 1   11   15   44 o  353.978   42.108   3.7869   0.6073   4.0806   0.6986   2.8778   1.2290  394.457   34.446  313.498   76.848 80.95871 84.21507 
1 1 1   11   15   46 o  340.172   34.346   2.7667   0.5304   2.4254   0.6056   3.8903   1.0989  302.790   38.902  377.554   56.614 -74.76355 68.69116 
1 1 1   11   15   48 o  243.844   41.187   1.7772   0.5140   2.0689   0.6393   1.2437   0.8647  277.547   44.802  210.141   69.126 67.40536 82.37479 
1 1 1   11   15   50 o  225.944   42.006   1.3572   0.4694   1.0965   0.5652   1.9367   0.8426  195.745   54.269  256.144   64.132 -60.39937 84.01192 
1 1 1   11   15   52 o  207.337   39.597   1.3121   0.4083   1.4158   0.4721   1.0046   0.8131  225.190   42.330  189.484   66.933 35.70583 79.19479 
1 1 1   11   15   54 o  131.196   35.345   0.2798   0.3022   0.1316   0.3521   0.6942   0.5887  102.280   41.932  160.112   56.911 -57.83182 70.69003 
1 1 1   11   16    1 o  1109.47   35.489   31.668   1.9999   30.562   2.6124   33.233   3.1085  1086.79   46.755  1132.16   53.404 -45.37341 70.97867 
1 1 1   11   16    3 o  926.786   35.640   22.022   1.6892   20.063   2.2530   24.539   2.5529  880.247   49.783  973.325   51.015 -93.07758 71.28060 
1 1 1   11   16    5 o  1200.09   40.428   37.428   2.4780   36.705   3.7035   38.014   3.3342  1188.92   60.589  1211.26   53.541 -22.34351 80.85624 
1 1 1   11   16    7 o  976.656   64.961   24.776   3.2619   24.776   3.2619   0.0000   0.0000  976.656   64.961  ?   ?       ?      ? 
1 1 1   11   16    9 o  368.944   30.503   3.5278   0.5762   3.7967   0.8025   3.2416   0.8279  383.601   40.691  354.287   45.453 29.31403 61.00599 
1 1 1   11   16   11 f  793.547   29.241   16.199   1.1913   15.255   1.6367   17.264   1.7374  769.005   41.397  818.090   41.308 -49.08527 58.48134 
1 1 1   11   16   13 o  734.054   29.047   13.876   1.0944   13.568   1.4983   14.228   1.6024  725.396   40.175  742.712   41.964 -17.31659 58.09472 
1 1 1   11   16   15 o  962.047   28.758   23.922   1.4177   24.703   1.9473   23.041   2.0680  978.938   38.691  945.155   42.557 33.78278 57.51611 
1 1 1   11   16   17 o  608.763   28.743   9.5318   0.8984   9.0333   1.2342   10.094   1.3104  591.881   40.559  625.646   40.738 -33.76514 57.48545 
1 1 1   11   16   19 o  2031.65   40.968  106.916   4.2647  108.135   5.8160  105.498   6.2722  2044.78   55.323  2018.51   60.439 26.26782 81.93606 
1 1 1   11   16   21 o  1802.07   28.398   83.716   2.6300   81.836   3.6577   85.729   3.7844  1781.17   39.942  1822.97   40.378 -41.80127 56.79590 
1 1 1   11   16   23 o  2743.03   28.326  194.171   3.9935  194.290   5.5811  194.046   5.7166  2744.02   39.561  2742.04   40.551 1.985107 56.65152 
1 1 1   11   16   25 o  408.420   45.379   4.5239   0.8805   2.6824   1.2191   6.5316   1.2729  314.409   76.214  502.431   49.279 -188.0215 90.75783 
1 1 1   11   16   27 o  927.605   28.763   22.266   1.3634   19.209   1.9049   25.477   1.9523  861.948   42.985  993.262   38.231 -131.3138 57.52691 
1 1 1   11   16   29 o  914.618   34.590   21.164   1.5415   20.086   1.8777   23.392   2.7000  880.986   41.455  948.250   55.382 -67.26465 69.17910 
1 1 1   11   16   31 f  942.409   40.991   23.220   1.9852   24.100   2.8162   22.352   2.7988  960.399   57.035  924.420   58.890 35.97864 81.98188 
1 1 1   11   16   33 o  1478.68   34.831   56.011   2.5074   53.896   3.0602   60.333   4.3740  1440.26   41.327  1517.10   56.079 -76.83215 69.66173 
1 1 1   11   16   35 o  828.469   35.228   17.495   1.4246   16.504   1.7372   19.530   2.4892  795.742   42.464  861.196   56.221 -65.45441 70.45512 
1 1 1   11   16   37 o  186.253   39.181   0.8293   0.4457   0.2390   0.6085   1.5124   0.6546  137.843   55.635  234.663   55.184 -96.81944 78.36181 
1 1 1   11   16   39 o  479.243   36.894   6.0208   0.8608   5.8771   1.0547   6.3077   1.4900  473.032   43.367  485.454   59.698 -12.42181 73.78738 
1 1 1   11   16   41 o  153.704   34.707   0.6438   0.3151   0.7978   0.3749   0.2739   0.5811  170.724   42.798  136.684   54.649 34.03989 69.41329 
1 1 1   11   16   43 o  839.082   33.966   18.223   1.2800   17.648   1.4765   19.963   2.5674  820.377   35.007  857.788   58.217 -37.41040 67.93190 
1 1 1   11   16   45 o  522.847   36.984   7.1854   0.9432   6.7762   1.1505   8.0241   1.6472  504.297   44.376  541.398   59.177 -37.10098 73.96750 
1 1 1   11   16   47 o  665.841   34.450   11.501   1.0270   11.028   1.1811   12.966   2.0797  646.372   35.542  685.309   59.025 -38.93658 68.89956 
1 1 1   11   16   49 o  303.603   37.549   2.4535   0.5861   2.4535   0.5861   0.0000   0.0000  303.603   37.549  ?   ?       ?      ? 
1 1 1   11   16   51 o  286.738   43.494   2.4126   0.5936   2.4525   0.7179   2.3266   1.0556  299.213   46.669  274.263   73.410 24.95044 86.98837 
1 1 1   11   16   53 o  345.970   45.426   3.9989   0.6533   4.4177   0.7554   2.7560   1.3013  404.972   36.281  286.968   83.294 118.0043 90.85273 
1 1 1   11   16   55 o  196.640   37.893   1.0506   0.3530   0.9277   0.4065   1.4274   0.7116  178.951   44.397  214.329   61.421 -35.37843 75.78644 
1 1 1   11   17    0 f  1871.39   45.991   91.308   4.3269   88.358   6.7585   93.358   5.6326  1843.78   71.541  1898.99   57.814 0.000000 0.000000 
1 1 1   11   17    2 o  2121.79   32.380  116.672   3.4966  113.954   5.3025  118.763   4.6512  2099.02   49.136  2144.57   42.184 -45.55103 64.76004 
1 1 1   11   17    4 o  2662.56   35.416  182.647   4.8071  178.180   6.3621  188.590   7.3385  2625.69   47.129  2699.43   52.877 -73.74365 70.83140 
1 1 1   11   17    6 o  839.211   49.345   18.473   2.1082   20.080   2.8767   16.609   3.0985  879.780   63.600  798.642   75.463 81.13812 98.68952 
1 1 1   11   17    8 o  1676.70   29.980   72.559   2.5834   73.225   3.6147   71.863   3.6936  1684.67   41.733  1668.74   43.052 15.92737 59.95953 
1 1 1   11   17   10 o  571.992   29.922   8.4716   0.8765   8.9589   1.2117   7.9368   1.2695  589.417   39.986  554.567   44.524 34.85083 59.84351 
1 1 1   11   17   12 o  893.033   29.418   20.638   1.3454   21.610   1.8516   19.551   1.9583  915.534   39.337  870.532   43.754 45.00201 58.83683 
1 1 1   11   17   14 o  141.279   31.414   0.5088   0.2552   0.5580   0.3494   0.4525   0.3735  146.160   43.367  136.399   45.460 9.760849 62.82755 
1 1 1   11   17   16 o  2038.68   28.703  107.247   3.0009  108.263   4.1117  106.088   4.3897  2049.26   39.026  2028.10   42.100 21.15979 57.40600 
1 1 1   11   17   18 o  972.159   40.065   26.377   1.7347   28.802   2.0587   20.440   3.2211  1057.00   37.884  887.318   70.608 169.6841 80.12940 
1 1 1   11   17   20 o  288.685   37.870   2.1768   0.5290   2.2654   0.8831   2.1272   0.6606  290.328   61.098  287.042   44.761 3.286163 75.73968 
1 1 1   11   17   22 o  2235.83   28.457  128.889   3.2697  124.976   4.5444  133.089   4.7082  2200.70   40.165  2270.97   40.325 -70.27417 56.91481 
1 1 1   11   17   24 o  588.662   41.169   9.0040   1.2392   10.196   1.7686   7.8544   1.7369  627.298   54.837  550.026   61.421 77.27234 82.33860 
1 1 1   11   17   26 o  537.932   29.066   7.4797   0.8036   7.6023   1.1284   7.3535   1.1447  542.450   40.461  533.414   41.740 9.035522 58.13229 
1 1 1   11   17   28 o  913.085   29.109   21.646   1.3592   24.192   1.9208   19.094   1.9235  967.385   38.620  858.784   43.565 108.6004 58.21879 
1 1 1   11   17   30 o  472.901   42.375   5.8712   1.0258   6.3816   1.4349   5.3378   1.4670  494.458   56.445  451.345   63.218 43.11386 84.74973 
1 1 1   11   17   32 o  303.289   41.314   2.5179   0.5767   2.6089   0.6907   2.3085   1.0479  316.862   42.398  289.716   70.921 27.14682 82.62849 
1 1 1   11   17   34 o  694.851   37.879   13.166   1.2480   14.116   1.5325   11.296   2.1504  736.604   40.468  653.099   64.043 83.50482 75.75749 
1 1 1   11   17   36 o  485.488   43.936   6.3225   1.0764   4.9341   1.5107   7.7543   1.5342  429.120   68.475  541.856   55.070 -112.7354 87.87243 
1 1 1   11   17   38 o  988.942   41.362   25.615   2.1030   25.615   2.1030   0.0000   0.0000  988.942   41.362  ?   ?       ?      ? 
1 1 1   11   17   40 o  448.704   44.804   5.4546   1.0299   6.0344   1.4701   4.8960   1.4431  473.156   60.435  424.252   66.160 48.90411 89.60789 
1 1 1   11   17   42 o  591.404   38.129   9.5172   1.0748   9.7350   1.3080   9.0646   1.8859  607.066   41.907  575.742   63.711 31.32379 76.25784 
1 1 1   11   17   44 o  998.283   35.502   27.036   1.5558   27.304   1.7940   26.222   3.1240  1019.95   34.213  976.617   62.218 43.33167 71.00436 
1 1 1   11   17   46 o  219.554   38.194   1.3600   0.3862   1.3999   0.4393   1.2245   0.8099  230.156   37.127  208.951   66.759 21.20518 76.38828 
1 1 1   11   17   48 o  149.735   48.064   0.6011   0.4194   0.6011   0.4194   0.0000   0.0000  149.735   48.064  ?   ?       ?      ? 
1 1 1   11   17   50 o  170.067   36.878   0.6308   0.3332   0.3797   0.3892   1.3210   0.6452  127.072   46.133  213.061   57.546 -85.98930 73.75529 
1 1 1   11   17   52 o  350.194   38.722   3.2138   0.5710   2.9703   0.6441   4.1072   1.2338  331.931   37.742  368.457   67.624 -36.52640 77.44337 
1 1 1   11   17   54 o  287.546   44.769   2.4531   0.6096   2.2761   0.7373   2.8359   1.0841  278.086   53.510  297.007   71.789 -18.92148 89.53786 
1 1 1   11   18    1 o  1757.79   29.315   79.429   2.6321   77.189   3.5063   82.321   3.9840  1729.82   39.425  1785.75   43.394 -55.92896 58.62901 
1 1 1   11   18    3 o  1218.98   31.875   38.677   1.9383   39.720   2.4782   37.035   3.1108  1240.99   38.842  1196.96   50.551 44.03247 63.75021 
1 1 1   11   18    5 o  1651.66   43.607   71.495   3.4159   72.847   4.1257   68.548   6.0914  1679.38   47.783  1623.94   72.959 55.44519 87.21365 
1 1 1   11   18    7 o  325.194   31.480   2.7271   0.5259   2.8882   0.7545   2.5749   0.7334  334.546   43.866  315.841   45.163 18.70490 62.95975 
1 1 1   11   18    9 o  2114.44   29.978  115.394   3.2565  117.524   4.5455  113.147   4.6676  2134.67   41.417  2094.21   43.351 40.46118 59.95596 
1 1 1   11   18   11 o  1272.71   29.396   41.648   1.9201   38.483   2.6409   45.198   2.7966  1221.51   42.052  1323.90   41.087 -102.3900 58.79192 
1 1 1   11   18   13 o  1138.32   29.227   33.414   1.7074   33.413   2.3447   33.416   2.4911  1138.40   40.060  1138.23   42.569 0.1738281 58.45466 
1 1 1   11   18   15 o  1720.35   29.084   76.455   2.5641   78.127   3.5105   74.543   3.7541  1740.80   39.224  1699.90   42.954 40.89258 58.16843 
1 1 1   11   18   17 o  2931.00   28.843  222.418   4.3269  233.070   5.9383  210.361   6.3175  3006.65   38.416  2855.35   43.034 151.2996 57.68650 
1 1 1   11   18   19 o  1811.17   34.813   84.758   3.1100   84.799   5.1891   84.735   3.8851  1810.17   55.757  1812.16   41.700 -1.983032 69.62609 
1 1 1   11   18   21 o  802.710   28.932   16.698   1.1890   17.795   1.6464   15.503   1.7189  830.540   38.557  774.879   43.146 55.66113 57.86344 
1 1 1   11   18   23 o  676.952   40.450   11.883   1.4076   12.036   1.9836   11.727   1.9979  681.409   56.620  672.495   57.784 8.913330 80.89991 
1 1 1   11   18   25 o  1228.04   28.622   38.959   1.8066   38.905   2.5259   39.017   2.5851  1227.22   40.033  1228.85   40.918 -1.623779 57.24419 
1 1 1   11   18   27 o  371.116   30.008   3.5640   0.5712   3.2461   0.7992   3.8959   0.8166  354.114   43.898  388.117   40.924 -34.00339 60.01548 
1 1 1   11   18   29 o  1019.37   34.606   26.007   1.7217   24.021   2.0914   30.183   3.0326  962.666   42.256  1076.08   54.815 -113.4128 69.21169 
1 1 1   11   18   31 o  464.638   29.487   5.6071   0.7042   5.4409   0.9959   5.7732   0.9957  457.684   42.324  471.593   41.068 -13.90860 58.97365 
1 1 1   11   18   33 o  759.653   29.398   15.041   1.1456   16.122   1.6162   13.949   1.6242  787.492   39.918  731.814   43.169 55.67834 58.79635 
1 1 1   11   18   35 o  423.428   43.118   5.2584   0.8040   6.0082   0.9837   3.7503   1.3951  480.163   39.849  366.692   76.478 113.4712 86.23650 
1 1 1   11   18   37 o  162.637   50.052   0.6996   0.4595   0.6996   0.4595   0.0000   0.0000  162.637   50.052  ?   ?       ?      ? 
1 1 1   11   18   39 o  367.987   45.575   4.1858   0.7314   4.8473   0.8797   2.7047   1.3163  429.929   39.798  306.046   82.002 123.8828 91.14901 
1 1 1   11   18   41 o  373.375   47.287   3.9194   0.8705   5.0904   1.2502   2.8175   1.2129  434.838   55.923  311.911   76.268 122.9270 94.57420 
1 1 1   11   18   43 o  888.127   36.908   20.995   1.5827   20.534   1.9254   21.955   2.7791  879.999   42.558  896.254   60.313 -16.25458 73.81612 
1 1 1   11   18   45 o  320.947   44.082   3.5726   0.6746   4.7696   0.8285   1.2170   1.1622  424.801   37.934  217.092   79.585 207.7093 88.16338 
1 1 1   11   18   47 o  724.623   43.205   14.070   1.6096   14.070   1.6096   0.0000   0.0000  724.623   43.205  ?   ?       ?      ? 
1 1 1   11   18   49 f  555.310   38.624   8.8946   0.9238   9.2415   1.0680   7.8639   1.8409  589.782   35.223  520.837   68.749 68.94458 77.24704 
1 1 1   11   18   51 o  351.364   45.480   4.1421   0.6495   4.5978   0.7461   2.7169   1.3195  414.782   34.987  287.946   83.963 126.8353 90.96101 
1 1 1   11   18   53 o  538.283   38.439   8.2071   0.8901   8.1300   1.0165   8.4605   1.8433  548.591   36.040  527.976   67.907 20.61505 76.87779 
1 1 1   11   19    0 o  667.458   74.864   11.939   2.4860   11.939   2.4860   0.0000   0.0000  667.458   74.864  667.458   74.864 0.000000 0.000000 
1 1 1   11   19    2 o  674.391   31.444   11.536   1.0683   10.794   1.3620   12.722   1.7223  646.889   40.953  701.893   47.727 -55.00378 62.88897 
1 1 1   11   19    4 o  466.631   32.764   5.5802   0.7808   5.9622   1.1885   5.2902   1.0356  480.499   48.109  452.763   44.490 27.73514 65.52708 
1 1 1   11   19    6 o  630.782   31.580   10.262   1.0222   10.362   1.4952   10.173   1.4008  633.622   45.898  627.942   43.389 5.679565 63.16067 
1 1 1   11   19    8 o  127.340   29.787   0.3560   0.2379   0.6003   0.3531   0.1530   0.3219  150.861   43.278  103.819   40.939 47.04182 59.57344 
1 1 1   11   19   10 o  946.729   30.427   23.301   1.4681   26.274   2.0491   20.165   2.1045  1009.53   39.480  883.926   46.309 125.6062 60.85393 
1 1 1   11   19   12 o  1054.46   29.560   28.662   1.6001   28.438   2.2001   28.914   2.3315  1050.17   40.749  1058.75   42.833 -8.578735 59.11924 
1 1 1   11   19   14 o  1533.88   33.999   60.488   2.5489   59.915   3.1425   61.590   4.3577  1524.33   40.099  1543.42   54.916 -19.09082 67.99807 
1 1 1   11   19   16 o  746.572   29.340   14.377   1.1236   14.370   1.5381   14.385   1.6454  746.461   40.079  746.683   42.861 -0.2219238 58.68045 
1 1 1   11   19   18 o  689.391   43.351   12.379   1.5191   12.775   2.0222   11.867   2.3016  702.573   55.985  676.209   66.203 26.36328 86.70101 
1 1 1   11   19   20 o  2433.61   28.710  152.716   3.5874  150.486   4.9325  155.219   5.2269  2414.98   39.727  2452.25   41.458 -37.27246 57.41940 
1 1 1   11   19   22 o  899.165   40.936   21.138   1.8607   25.841   2.6540   16.592   2.6096  999.136   51.666  799.195   63.510 199.9411 81.87160 
1 1 1   11   19   24 o  970.808   28.797   24.382   1.4349   25.058   1.9901   23.651   2.0708  984.999   39.297  956.617   42.105 28.38275 57.59408 
1 1 1   11   19   26 o  563.397   29.262   8.2294   0.8455   8.7130   1.1804   7.7200   1.2116  580.582   39.545  546.212   43.144 34.37054 58.52498 
1 1 1   11   19   28 o  1681.07   28.813   73.193   2.4897   73.239   3.4844   73.145   3.5588  1681.75   40.299  1680.40   41.192 1.353638 57.62639 
1 1 1   11   19   30 o  574.340   37.173   8.9218   1.0190   7.7175   1.7411   9.5491   1.2566  541.974   62.485  606.705   40.286 -64.73077 74.34651 
1 1 1   11   19   32 o  752.558   29.479   14.734   1.1402   14.789   1.5938   14.675   1.6318  754.141   41.106  750.975   42.265 3.166016 58.95797 
1 1 1   11   19   34 o  437.094   29.998   4.9840   0.6738   4.9559   0.9372   5.0141   0.9694  435.909   41.817  438.280   43.021 -2.371094 59.99508 
1 1 1   11   19   36 o  591.839   61.772   9.3523   1.8796   9.3523   1.8796   0.0000   0.0000  591.839   61.772  ?   ?       ?      ? 
1 1 1   11   19   38 o  414.380   39.064   4.4812   0.7783   4.3087   0.9392   4.8595   1.3908  404.392   45.173  424.369   63.745 -19.97781 78.12806 
1 1 1   11   19   40 o  884.971   43.219   21.239   1.9651   21.745   2.7548   20.715   2.8040  896.722   59.753  873.219   62.458 23.50360 86.43721 
1 1 1   11   19   42 o  303.772   45.167   2.6734   0.6377   2.8180   0.7604   2.3306   1.1707  325.475   45.440  282.069   78.074 43.40573 90.33445 
1 1 1   11   19   44 o  498.150   37.556   6.4424   0.9063   5.9290   1.0930   7.5716   1.6211  471.245   45.114  525.054   60.055 -53.80905 75.11254 
1 1 1   11   19   46 o  515.739   45.631   7.5143   1.1937   8.7106   1.6753   6.2807   1.7012  561.908   57.990  469.571   70.469 92.33670 91.26176 
1 1 1   11   19   48 f  238.420   39.911   1.7251   0.4387   1.8546   0.5016   1.3034   0.9050  264.001   36.954  212.839   70.754 51.16208 79.82283 
1 1 1   11   19   50 o  578.865   44.093   10.434   1.1422   11.928   1.3978   7.4316   1.9816  664.315   40.925  493.414   78.114 170.9004 88.18569 
1 1 1   11   19   52 o  330.093   44.578   3.4902   0.5993   3.6881   0.6797   2.7994   1.2700  370.145   35.717  290.042   81.689 80.10291 89.15594 
1 1 1   11   19   54 o  284.879   44.066   2.7080   0.6203   3.1877   0.7685   1.8111   1.0508  337.474   44.293  232.285   76.193 105.1894 88.13174 
1 1 1   11   20    1 o  554.932   50.664   8.0026   1.4409   7.2205   2.0246   8.8052   2.0510  527.195   74.698  582.669   68.465 -55.47394 101.3273 
1 1 1   11   20    3 o  654.493   42.353   11.729   1.1480   9.9994   2.4335   12.224   1.3020  620.288   76.309  688.697   36.772 -68.40948 84.70696 
1 1 1   11   20    5 o  674.294   32.392   11.778   1.1151   11.315   1.6596   12.160   1.5057  661.972   48.763  686.616   42.653 -24.64423 64.78464 
1 1 1   11   20    7 o  963.434   31.469   24.040   1.5526   22.447   2.2458   25.498   2.1490  932.551   46.841  994.317   42.037 -61.76636 62.93803 
1 1 1   11   20    9 o  1685.53   30.480   73.287   2.6411   72.295   3.7372   74.277   3.7329  1674.09   43.421  1696.97   42.786 -22.87463 60.95901 
1 1 1   11   20   11 o  1596.06   30.061   65.833   2.4619   68.968   3.4353   62.523   3.5300  1635.40   40.858  1556.72   44.106 78.68115 60.12197 
1 1 1   11   20   13 o  2793.39   29.420  201.031   4.2196  197.040   5.7970  205.530   6.1537  2764.11   40.792  2822.67   42.404 -58.55542 58.83998 
1 1 1   11   20   15 o  1471.59   29.149   55.763   2.2016   54.231   3.0115   57.521   3.2267  1450.02   40.396  1493.16   42.033 -43.14197 58.29769 
1 1 1   11   20   17 o  1501.20   43.103   57.856   3.2967   54.578   4.3326   62.364   5.0808  1451.73   58.049  1550.66   63.731 -98.93262 86.20505 
1 1 1   11   20   19 o  1061.09   28.940   29.007   1.5761   28.204   2.1556   29.929   2.3102  1045.43   40.106  1076.74   41.733 -31.31201 57.88015 
1 1 1   11   20   21 o  1040.58   40.105   28.101   2.1424   29.771   3.0233   26.417   3.0362  1071.95   54.858  1009.21   58.517 62.73663 80.20982 
1 1 1   11   20   23 o  1875.53   28.837   90.955   2.7764   92.387   3.8400   89.387   4.0189  1891.31   39.491  1859.76   42.032 31.54382 57.67370 
1 1 1   11   20   25 o  558.710   29.550   8.0811   0.8477   8.2564   1.1775   7.8925   1.2214  565.105   40.529  552.314   43.013 12.79095 59.09959 
1 1 1   11   20   27 o  265.148   32.816   1.8648   0.4312   1.4374   0.5989   2.3251   0.6214  230.631   51.775  299.666   40.336 -69.03552 65.63275 
1 1 1   11   20   29 o  300.840   46.092   2.4903   0.7028   2.9288   0.9436   1.9440   1.0531  334.776   54.821  266.905   74.111 67.87039 92.18352 
1 1 1   11   20   31 o  345.385   35.054   3.2438   0.5644   1.8279   0.7747   4.8445   0.8238  258.637   59.502  432.133   37.079 -173.4958 70.10889 
1 1 1   11   20   33 o  990.473   29.271   25.590   1.4891   26.696   2.0965   24.464   2.1155  1012.46   40.276  968.490   42.486 43.96527 58.54181 
1 1 1   11   20   35 o  562.214   42.825   8.4283   1.2319   9.4510   1.7572   7.4397   1.7276  596.836   57.266  527.593   63.690 69.24310 85.64977 
1 1 1   11   20   37 f  288.623   33.908   2.2433   0.4884   2.3905   0.6698   2.0761   0.7137  301.646   43.188  275.600   52.286 26.04507 67.81609 
1 1 1   11   20   39 o  706.912   36.999   12.832   1.2634   11.925   1.5213   14.850   2.2681  671.995   44.033  741.829   59.470 -69.83429 73.99743 
1 1 1   11   20   41 o  207.001   40.862   1.2467   0.4511   1.4329   0.5519   0.8720   0.7829  227.735   48.614  186.268   65.691 41.46758 81.72301 
1 1 1   11   20   43 o  175.861   38.297   0.9268   0.3955   1.1657   0.4436   0.0000   0.8737  205.831   43.289  145.890   63.189 59.94131 76.59456 
1 1 1   11   20   45 o  249.787   49.958   1.7912   0.6702   1.4847   0.8916   2.1895   1.0161  227.021   69.697  272.553   71.592 -45.53215 99.91537 
1 1 1   11   20   47 o  375.099   44.745   3.7950   0.8629   3.7950   0.8629   0.0000   0.0000  375.099   44.745  ?   ?       ?      ? 
1 1 1   11   20   49 o  310.305   45.908   3.1358   0.6716   3.6526   0.8120   2.0160   1.1952  367.131   43.018  253.478   81.114 113.6532 91.81500 
1 1 1   11   20   51 o  328.963   41.664   2.9993   0.5856   2.8546   0.6678   3.4814   1.2188  324.239   40.058  333.688   73.069 -9.448944 83.32850 
1 1 1   11   20   53 o  246.208   45.785   2.0269   0.5820   2.2709   0.6929   1.4419   1.0729  279.666   50.024  212.750   76.698 66.91631 91.56929 
1 1 1   11   21    0 o  453.084   54.461   5.6375   1.1468   6.5626   1.7726   4.9715   1.5039  487.187   76.370  418.982   77.663 0.000000 0.000000 
1 1 1   11   21    2 o  1461.16   30.063   55.357   2.2372   57.465   3.0005   52.718   3.3572  1493.03   39.089  1429.29   45.686 63.74207 60.12624 
1 1 1   11   21    4 o  647.230   27.129   10.757   0.9006   11.371   1.3312   10.239   1.2229  664.168   38.985  630.292   37.737 33.87640 54.25817 
1 1 1   11   21    6 o  1312.30   29.076   44.099   1.9539   41.025   2.6239   47.925   2.9273  1261.39   40.460  1363.20   41.768 -101.8118 58.15154 
1 1 1   11   21    8 o  820.179   31.295   17.333   1.3188   18.062   1.9056   16.663   1.8269  836.708   44.298  803.649   44.217 33.05853 62.58965 
1 1 1   11   21   10 o  519.016   30.854   6.9519   0.8231   7.0988   1.1594   6.8025   1.1686  524.576   42.987  513.457   44.270 11.11884 61.70700 
1 1 1   11   21   12 o  1293.72   29.895   43.125   1.9872   41.576   2.7531   44.810   2.8712  1269.51   42.181  1317.94   42.373 -48.43152 59.78919 
1 1 1   11   21   14 o  816.670   29.643   17.192   1.2424   16.953   1.7017   17.466   1.8182  810.660   40.829  822.680   42.987 -12.02032 59.28670 
1 1 1   11   21   16 o  422.645   38.616   4.2787   0.7448   3.9211   0.8569   5.3834   1.5062  389.764   42.763  455.526   64.313 -65.76187 77.23244 
1 1 1   11   21   18 o  1136.94   42.735   33.377   2.4980   0.0000   0.0000   33.377   2.4980  ?   ?   1136.94   42.735      ?      ? 
1 1 1   11   21   20 o  1029.74   40.002   27.522   2.1135   29.558   2.9920   25.494   2.9860  1068.10   54.485  991.369   58.584 76.73401 80.00465 
1 1 1   11   21   22 o  1341.05   29.027   46.417   1.9990   45.484   2.7501   47.462   2.9107  1326.91   40.313  1355.20   41.776 -28.29333 58.05475 
1 1 1   11   21   24 o  708.493   29.351   12.960   1.0676   12.614   1.4639   13.354   1.5603  698.466   40.764  718.519   42.239 -20.05273 58.70145 
1 1 1   11   21   26 o  1057.98   29.111   28.969   1.5822   28.555   2.1877   29.423   2.2909  1050.19   40.519  1065.78   41.809 -15.58923 58.22191 
1 1 1   11   21   28 o  359.139   39.920   3.3006   0.6583   3.1265   0.7796   3.7333   1.2287  346.949   43.705  371.329   66.816 -24.38010 79.84073 
1 1 1   11   21   30 o  563.079   29.762   8.2608   0.8597   8.8016   1.2081   7.7061   1.2236  582.041   40.371  544.116   43.741 37.92535 59.52428 
1 1 1   11   21   32 o  215.652   33.992   1.2673   0.3813   0.7970   0.5458   1.7158   0.5330  174.601   54.690  256.704   40.383 -82.10284 67.98383 
1 1 1   11   21   34 o  521.773   42.695   7.2618   1.1401   6.5018   1.6146   8.0178   1.6102  493.492   63.636  550.054   56.938 -56.56284 85.39030 
1 1 1   11   21   36 o  126.488   31.204   0.3782   0.2491   0.3555   0.3703   0.3969   0.3365  125.675   45.088  127.300   43.149 -1.625496 62.40775 
1 1 1   11   21   38 o  584.845   30.757   9.0369   0.9218   8.2254   1.3040   9.8477   1.3034  557.866   45.465  611.824   41.435 -53.95831 61.51401 
1 1 1   11   21   40 o  1091.94   43.076   32.434   2.4155   30.379   3.3705   34.604   3.4634  1055.17   62.131  1128.70   59.683 -73.52319 86.15269 
1 1 1   11   21   42 o  265.885   43.808   1.9623   0.5447   1.9044   0.6438   2.1082   1.0217  262.634   49.493  269.135   72.299 -6.500397 87.61628 
1 1 1   11   21   44 o  428.636   47.226   5.8086   0.8732   6.8362   1.0677   3.7332   1.5173  507.126   40.950  350.147   85.113 156.9785 94.45215 
1 1 1   11   21   46 o  566.399   44.639   8.6349   1.2999   8.6349   1.2999   0.0000   0.0000  566.399   44.639  ?   ?       ?      ? 
1 1 1   11   21   48 o  402.824   45.763   4.8373   0.8154   5.0398   0.9713   4.3541   1.5004  431.342   43.798  374.307   80.367 57.03491 91.52663 
1 1 1   11   21   50 o  298.926   40.527   2.3420   0.5636   1.8777   0.6696   3.4710   1.0441  254.853   52.837  342.999   61.466 -88.14555 81.05403 
1 1 1   11   21   52 o  136.904   37.605   0.3110   0.2878   0.2392   0.3121   0.7189   0.7439  107.101   40.831  166.708   63.162 -59.60702 75.21039 
1 1 1   11   22    1 o  1160.64   30.178   34.391   1.7851   32.231   2.3468   37.355   2.7499  1118.02   40.828  1203.26   44.451 -85.24597 60.35637 
1 1 1   11   22    3 o  1029.93   27.726   27.454   1.4612   25.970   2.1367   28.757   2.0027  1003.51   41.415  1056.34   36.875 -52.83917 55.45263 
1 1 1   11   22    5 o  1356.15   29.465   47.165   2.0485   43.716   2.7745   51.298   3.0374  1301.97   41.449  1410.32   41.890 -108.3440 58.93046 
1 1 1   11   22    7 o  1837.12   31.776   86.991   2.9954   88.683   4.3923   85.519   4.0957  1853.63   46.089  1820.61   43.756 33.01233 63.55137 
1 1 1   11   22    9 o  1102.66   31.245   31.423   1.7684   30.208   2.5412   32.564   2.4625  1081.81   45.690  1123.51   42.632 -41.69678 62.49031 
1 1 1   11   22   11 o  773.175   30.740   15.429   1.2201   14.347   1.7125   16.545   1.7389  745.557   44.676  800.794   42.236 -55.23651 61.47993 
1 1 1   11   22   13 o  1520.01   30.002   59.692   2.3409   61.102   3.2448   58.161   3.3805  1538.95   41.010  1501.07   43.804 37.87927 60.00482 
1 1 1   11   22   15 o  168.247   38.012   0.7613   0.3865   1.0034   0.4437   0.0000   0.7868  193.263   45.427  143.231   60.961 50.03185 76.02491 
1 1 1   11   22   17 o  879.769   43.351   19.989   1.9608   0.0000   0.0000   19.989   1.9608  ?   ?   879.769   43.351      ?      ? 
1 1 1   11   22   19 o  998.490   34.937   26.029   1.6846   26.491   2.0660   25.112   2.9100  1012.99   39.670  983.987   57.521 29.00690 69.87425 
1 1 1   11   22   21 o  1165.30   29.111   34.993   1.7413   33.429   2.3819   36.788   2.5520  1137.48   40.730  1193.13   41.603 -55.65527 58.22160 
1 1 1   11   22   23 o  885.995   29.536   20.389   1.3391   21.538   1.8426   19.104   1.9496  912.869   39.260  859.121   44.138 53.74854 59.07230 
1 1 1   11   22   25 o  448.757   32.524   5.4432   0.7136   7.0834   0.9866   3.6436   1.0335  523.390   36.666  374.124   53.729 149.2660 65.04786 
1 1 1   11   22   27 f  300.697   42.990   2.4499   0.5875   2.4951   0.6912   2.3322   1.1154  309.981   43.372  291.412   74.240 18.56824 85.98093 
1 1 1   11   22   29 o  298.319   38.585   2.3855   0.5549   2.3278   0.9194   2.4185   0.6960  291.845   63.109  304.792   44.413 -12.94705 77.17066 
1 1 1   11   22   31 o  178.204   34.751   0.8576   0.3328   1.0259   0.4657   0.6820   0.4757  194.299   47.109  162.110   51.100 32.18843 69.50124 
1 1 1   11   22   33 o  431.215   47.262   5.1672   0.9774   3.4256   1.3737   6.9531   1.3911  348.936   78.476  513.493   52.692 -164.5576 94.52451 
1 1 1   11   22   35 o  562.690   30.216   8.3109   0.8734   8.5185   1.2211   8.0935   1.2497  570.167   41.658  555.212   43.781 14.95520 60.43289 
1 1 1   11   22   37 o  590.572   30.644   9.2010   0.9263   8.1477   1.2993   10.290   1.3209  555.421   45.501  625.723   41.061 -70.30164 61.28870 
1 1 1   11   22   39 o  429.534   50.276   5.1548   1.0467   3.3820   1.4134   7.3074   1.5575  339.415   81.929  519.654   58.295 -180.2394 100.5523 
1 1 1   11   22   41 o  567.356   37.640   8.0893   1.0354   7.0098   1.2409   10.564   1.8789  512.272   47.114  622.439   58.714 -110.1665 75.27972 
1 1 1   11   22   43 o  410.117   44.164   4.8367   0.8120   5.0423   0.9745   4.3694   1.4689  434.805   43.592  385.429   76.822 49.37585 88.32851 
1 1 1   11   22   45 o  595.862   63.463   9.9643   1.9442   9.9643   1.9442   0.0000   0.0000  595.862   63.463  ?   ?       ?      ? 
1 1 1   11   22   47 o  277.059   45.756   2.4539   0.6034   2.7320   0.7019   1.6666   1.1810  318.219   42.905  235.898   80.830 82.32101 91.51133 
1 1 1   11   22   49 o  188.751   42.520   1.0295   0.4649   1.0226   0.6547   1.0365   0.6602  188.197   60.012  189.305   60.253 -1.108276 85.04057 
1 1 1   11   22   51 o  264.655   45.196   2.2249   0.5945   2.4159   0.7130   1.7893   1.0768  294.264   47.129  235.047   77.133 59.21696 90.39161 
1 1 1   11   23    0 o  534.974   52.509   7.7655   1.3547   8.1299   2.0582   7.4870   1.7995  544.928   78.124  525.019   70.181 0.000000 0.000000 
1 1 1   11   23    2 o  798.238   30.328   16.244   1.2373   14.416   1.6502   18.592   1.8699  747.539   42.936  848.936   42.843 -101.3967 60.65559 
1 1 1   11   23    4 o  498.483   28.255   6.4440   0.7195   5.9877   1.0548   6.8412   0.9840  481.777   42.583  515.188   37.151 -33.41129 56.51087 
1 1 1   11   23    6 o  1150.47   29.493   34.130   1.7371   34.017   2.3495   34.265   2.5799  1148.56   39.787  1152.38   43.545 -3.821899 58.98500 
1 1 1   11   23    8 o  970.495   32.697   24.671   1.6071   20.654   2.3369   28.276   2.2137  894.006   50.844  1046.98   41.125 -152.9771 65.39405 
1 1 1   11   23   10 o  1249.86   31.191   40.296   2.0032   42.185   2.8702   38.502   2.7972  1278.46   43.667  1221.27   44.550 57.18616 62.38219 
1 1 1   11   23   12 o  2280.18   30.403  134.299   3.5614  138.212   4.9925  130.245   5.0819  2314.24   41.960  2246.11   44.008 68.12402 60.80577 
1 1 1   11   23   14 o  606.666   43.220   9.9355   1.1588   10.351   1.3492   8.7664   2.2623  633.285   41.440  580.046   75.860 53.23859 86.44064 
1 1 1   11   23   16 o  751.994   56.186   14.653   2.1722   0.0000   0.0000   14.653   2.1722  ?   ?   751.994   56.186      ?      ? 
1 1 1   11   23   18 o  1485.91   34.022   56.312   2.4748   54.553   3.0416   59.757   4.2567  1453.42   40.705  1518.40   54.527 -64.98657 68.04494 
1 1 1   11   23   20 o  1708.73   29.258   75.441   2.5640   75.272   3.5038   75.635   3.7621  1706.98   39.924  1710.47   42.780 -3.489502 58.51542 
1 1 1   11   23   22 o  1200.45   29.585   37.431   1.8174   39.425   2.4978   35.188   2.6494  1234.99   39.339  1165.90   44.199 69.09216 59.17020 
1 1 1   11   23   24 o  543.909   30.692   7.7598   0.8477   8.7442   1.1673   6.6611   1.2332  581.276   39.060  506.542   47.352 74.73392 61.38366 
1 1 1   11   23   26 o  1195.25   29.502   37.172   1.8075   39.017   2.5049   35.168   2.6108  1226.80   39.715  1163.70   43.637 63.09814 59.00394 
1 1 1   11   23   28 o  1240.64   42.603   40.479   2.7089   40.369   3.6872   40.609   3.9931  1239.91   57.841  1241.37   62.567 -1.457886 85.20686 
1 1 1   11   23   30 o  104.700   29.117   0.1187   0.2282   0.0000   0.2888   0.3159   0.3723   86.698   36.918  122.703   45.035 -36.00510 58.23326 
1 1 1   11   23   32 f  619.661   42.300   10.200   1.3466   10.584   1.8977   9.8100   1.9112  631.881   58.414  607.441   61.196 24.43988 84.60012 
1 1 1   11   23   34 o  645.272   30.225   10.901   1.0016   10.228   1.3896   11.628   1.4451  624.430   43.285  666.114   42.196 -41.68402 60.44935 
1 1 1   11   23   36 o  785.242   30.292   16.227   1.2153   13.945   1.6891   18.676   1.7499  726.970   45.192  843.514   40.351 -116.5441 60.58471 
1 1 1   11   23   38 o  803.564   45.205   17.878   1.8316   21.047   2.5433   14.465   2.6398  884.123   55.953  723.006   71.016 161.1170 90.41051 
1 1 1   11   23   40 o  626.392   31.150   10.478   0.9957   11.806   1.4009   9.1230   1.4156  668.152   40.780  584.631   47.098 83.52057 62.29934 
1 1 1   11   23   42 o  254.484   35.520   1.7927   0.4516   1.9163   0.6057   1.6380   0.6777  268.085   43.947  240.883   55.814 27.20198 71.03959 
1 1 1   11   23   44 o  182.821   62.292   0.8931   0.7014   0.8931   0.7014   0.0000   0.0000  182.821   62.292  ?   ?       ?      ? 
1 1 1   11   23   46 o  314.766   41.034   2.4776   0.6169   1.8157   0.7381   4.0117   1.1238  250.496   58.392  379.036   57.667 -128.5395 82.06772 
1 1 1   11   23   48 o  335.013   50.467   3.4192   0.8422   3.3846   1.1690   3.4564   1.2144  333.975   70.304  336.051   72.422 -2.075653 100.9335 
1 1 1   11   23   50 o  282.119   40.314   1.8200   0.5605   0.8817   0.6589   4.2759   1.0660  176.231   60.376  388.008   53.438 -211.7764 80.62801 
1 1 1   11   23   52 o  253.232   43.358   2.2104   0.5900   2.7344   0.7165   1.1067   1.0397  312.586   44.582  193.879   74.378 118.7075 86.71573 
1 1 1   11   24    1 o  1396.41   30.467   49.771   2.1671   46.585   2.8431   54.188   3.3479  1343.89   41.149  1448.94   44.942 -105.0503 60.93452 
1 1 1   11   24    3 o  728.539   27.960   13.651   1.0456   14.348   1.5320   13.043   1.4307  745.876   39.950  711.201   39.129 34.67462 55.91978 
1 1 1   11   24    5 o  579.841   30.273   8.6549   0.8998   8.4225   1.2194   8.9327   1.3331  571.382   41.511  588.300   44.075 -16.91827 60.54511 
1 1 1   11   24    7 o  961.719   29.595   23.720   1.4581   22.188   1.9638   25.602   2.1768  927.388   41.188  996.050   42.508 -68.66223 59.18954 
1 1 1   11   24    9 o  423.277   33.233   4.6700   0.7165   4.1054   1.0394   5.1814   0.9892  398.506   50.732  448.048   42.941 -49.54236 66.46522 
1 1 1   11   24   11 f  1727.50   31.055   77.049   2.7578   77.344   3.9325   76.764   3.8687  1730.70   44.195  1724.30   43.640 6.405151 62.10962 
1 1 1   11   24   13 o  1231.76   47.177   39.991   2.9266   42.814   3.8596   36.171   4.4889  1285.19   58.412  1178.32   74.099 106.8701 94.35351 
1 1 1   11   24   15 o  2217.53   55.646  127.422   6.3441   0.0000   0.0000  127.422   6.3441  ?   ?   2217.53   55.646      ?      ? 
1 1 1   11   24   17 o  2053.55   29.666  108.864   3.1269  107.426   4.2872  110.499   4.5706  2039.34   40.890  2067.77   42.993 -28.43384 59.33287 
1 1 1   11   24   19 o  775.019   35.699   15.345   1.3736   16.396   2.2912   14.756   1.7162  794.721   56.076  755.317   44.195 39.40436 71.39805 
1 1 1   11   24   21 o  1584.96   29.492   65.174   2.3939   67.496   3.2817   62.534   3.4997  1615.74   39.506  1554.19   43.798 61.54956 58.98325 
1 1 1   11   24   23 o  808.414   29.494   16.909   1.2237   16.582   1.6751   17.285   1.7920  800.170   40.719  816.658   42.680 -16.48816 58.98861 
1 1 1   11   24   25 o  1666.06   29.314   71.766   2.5051   65.366   3.4400   78.992   3.6552  1586.99   42.162  1745.12   40.740 -158.1350 58.62875 
1 1 1   11   24   27 o  515.352   44.625   6.9707   1.1745   6.7443   1.5627   7.2647   1.7806  506.388   60.022  524.315   66.053 -17.92661 89.25050 
1 1 1   11   24   29 o  641.636   30.102   10.755   0.9903   11.217   1.3710   10.251   1.4320  656.465   40.621  626.807   44.436 29.65857 60.20480 
1 1 1   11   24   31 o  621.513   38.234   10.475   1.1399   9.3438   1.9443   11.067   1.4071  592.076   63.873  650.950   42.044 -58.87402 76.46869 
1 1 1   11   24   33 o  405.610   32.744   4.4275   0.6615   5.5599   0.9248   3.2411   0.9465  461.311   38.991  349.909   52.616 111.4019 65.48835 
1 1 1   11   24   35 o  248.961   34.779   1.6827   0.4351   1.3073   0.6098   2.0721   0.6210  217.294   54.641  280.629   43.042 -63.33504 69.55801 
1 1 1   11   24   37 o  286.487   43.924   2.2069   0.5768   2.1310   0.6730   2.4171   1.1200  283.464   46.177  289.510   74.733 -6.045959 87.84865 
1 1 1   11   24   39 o  682.398   39.783   13.115   1.2934   11.056   2.1834   14.228   1.6054  632.027   67.193  732.769   42.614 -100.7421 79.56622 
1 1 1   11   24   41 o  925.576   30.588   22.794   1.4493   20.131   2.0183   25.630   2.0825  868.304   45.212  982.848   41.213 -114.5441 61.17695 
1 1 1   11   24   43 o  236.370   41.563   1.6675   0.5091   1.1760   0.8090   1.9897   0.6550  205.114   66.835  267.625   49.427 -62.51054 83.12603 
1 1 1   11   24   45 o  235.575   45.076   1.5772   0.5076   1.5444   0.5848   1.6772   1.0224  233.925   50.136  237.225   74.926 -3.299362 90.15265 
1 1 1   11   24   47 o  343.250   44.590   3.1516   0.7005   2.7820   0.8195   4.1540   1.3496  317.316   50.235  369.184   73.685 -51.86832 89.17950 
1 1 1   11   24   49 o  225.807   44.678   1.6454   0.5382   1.8695   0.6347   1.0725   1.0149  255.086   50.186  196.528   73.930 58.55783 89.35508 
1 1 1   11   24   51 o  207.676   45.960   1.1358   0.4703   0.9425   0.5304   1.8464   1.0170  178.523   53.539  236.830   74.719 -58.30756 91.92043 
1 1 1   11   25    0 o  1068.77   65.531   29.826   3.5698   29.826   3.5698   0.0000   0.0000  1068.77   65.531  1068.77   65.531 -0.000000 0.000000 
1 1 1   11   25    2 o  1507.64   33.846   58.787   2.6160   57.733   3.8269   59.711   3.5842  1494.64   49.802  1520.64   45.846 -25.99512 67.69115 
1 1 1   11   25    4 o  2062.35   27.909  110.008   2.9475  105.766   4.3152  113.718   4.0357  2024.62   41.456  2100.08   37.378 -75.46094 55.81833 
1 1 1   11   25    6 o  1427.49   30.000   52.767   2.1899   54.539   2.9775   50.680   3.2320  1454.02   39.830  1400.97   44.872 53.04712 59.99952 
1 1 1   11   25    8 f  832.341   32.563   17.998   1.3839   16.804   2.0375   19.022   1.8856  806.273   49.152  858.408   42.725 -52.13550 65.12556 
1 1 1   11   25   10 o  1103.17   38.267   30.616   2.0337   34.042   3.6500   29.073   2.4490  1145.45   61.979  1060.89   44.901 84.56531 76.53446 
1 1 1   11   25   12 o  1281.66   62.538   42.643   4.1209   42.643   4.1209   0.0000   0.0000  1281.66   62.538  ?   ?       ?      ? 
1 1 1   11   25   14 o  1863.99   40.934   89.833   3.9121   93.900   5.7946   86.426   5.3030  1902.23   59.251  1825.74   56.496 76.49133 81.86831 
1 1 1   11   25   16 o  728.728   31.011   13.849   1.1516   15.385   1.5932   12.167   1.6664  771.766   40.154  685.690   47.270 86.07623 62.02278 
1 1 1   11   25   18 o  1308.76   38.882   42.692   2.3243   40.746   2.6946   48.349   4.5944  1255.48   41.746  1362.03   65.610 -106.5565 77.76468 
1 1 1   11   25   20 o  1663.65   29.545   71.494   2.5222   69.641   3.4441   73.637   3.7041  1640.70   40.830  1686.61   42.716 -45.91162 59.09095 
1 1 1   11   25   22 o  192.133   34.071   0.9608   0.3484   0.5686   0.4690   1.4434   0.5203  152.296   50.946  231.971   45.253 -79.67448 68.14207 
1 1 1   11   25   24 o  446.335   32.637   5.3513   0.7216   6.6714   0.9930   3.8743   1.0503  507.419   38.063  385.250   53.028 122.1689 65.27444 
1 1 1   11   25   26 o  886.931   36.473   19.051   1.5358   16.898   1.8085   24.621   2.9087  805.817   43.652  968.045   58.443 -162.2286 72.94593 
1 1 1   11   25   28 o  1183.95   29.713   36.468   1.8072   35.297   2.4951   37.760   2.6210  1164.11   41.690  1203.79   42.349 -39.67908 59.42645 
1 1 1   11   25   30 o  283.770   42.462   2.0813   0.5715   2.6507   1.0114   1.8142   0.6926  309.794   65.546  257.745   53.998 52.04922 84.92381 
1 1 1   11   25   32 o  167.949   35.995   0.7310   0.3458   0.9889   0.5029   0.4996   0.4763  190.212   50.557  145.687   51.250 44.52461 71.99033 
1 1 1   11   25   34 o  519.635   31.415   7.1611   0.8330   7.9020   1.1567   6.3627   1.2007  548.679   41.005  490.590   47.605 58.08884 62.83025 
1 1 1   11   25   36 o  605.094   30.998   9.6768   0.9635   9.6782   1.3354   9.6752   1.3915  605.492   42.899  604.697   44.757 0.7955933 61.99606 
1 1 1   11   25   38 o  493.458   38.892   6.5592   0.9343   6.6260   1.5998   6.5246   1.1510  491.502   63.312  495.414   45.189 -3.912231 77.78443 
1 1 1   11   25   40 o  811.081   30.694   17.496   1.2796   16.995   1.7887   18.021   1.8313  799.109   43.537  823.052   43.277 -23.94305 61.38731 
1 1 1   11   25   42 o  611.219   37.485   9.9968   1.1233   10.761   1.9243   9.6016   1.3836  623.857   59.995  598.581   44.958 25.27533 74.97083 
1 1 1   11   25   44 o  544.006   31.555   7.9659   0.8798   7.1499   1.2212   8.8464   1.2686  514.179   46.196  573.834   42.999 -59.65479 63.11070 
1 1 1   11   25   46 o  479.517   46.703   6.9811   0.9779   7.4408   1.1698   5.9142   1.7820  524.014   43.422  435.021   82.700 88.99362 93.40659 
1 1 1   11   25   48 o  154.609   43.108   0.4609   0.4742   0.3445   0.5719   0.7172   0.8485  136.334   54.311  172.884   66.958 -36.55005 86.21568 
1 1 1   11   25   50 o  185.772   45.113   0.8401   0.4410   0.6764   0.4942   1.4796   0.9771  155.548   52.295  215.996   73.525 -60.44736 90.22533 
1 1 1   11   26    1 o  1197.65   34.212   37.162   2.1012   34.857   3.0115   39.349   2.9332  1161.09   50.449  1234.20   46.226 -73.11316 68.42416 
1 1 1   11   26    3 o  1220.97   28.323   38.586   1.7715   36.600   2.5737   40.373   2.4421  1190.80   42.039  1251.14   37.966 -60.34070 56.64526 
1 1 1   11   26    5 o  1433.16   27.957   52.985   2.0542   53.118   3.0217   52.871   2.8010  1434.64   40.968  1431.69   38.054 2.951416 55.91495 
1 1 1   11   26    7 o  2221.95   33.258  127.144   3.7746  131.460   5.7113  123.797   5.0297  2254.74   49.268  2189.17   44.689 65.56470 66.51647 
1 1 1   11   26    9 o  1160.16   43.837   34.930   2.5573   34.955   4.0632   34.914   3.2909  1159.34   68.169  1160.98   55.134 -1.639160 87.67403 
1 1 1   11   26   11 o  1143.38   45.728   33.791   2.6881   33.791   2.6881   0.0000   0.0000  1143.38   45.728  ?   ?       ?      ? 
1 1 1   11   26   13 o  870.373   41.469   19.554   1.8482   20.886   2.7686   18.483   2.4823  896.748   60.051  843.999   57.205 52.74866 82.93742 
1 1 1   11   26   15 o  1263.27   30.670   41.268   1.9911   41.486   2.7800   41.037   2.8531  1266.82   42.684  1259.72   44.053 7.102417 61.34038 
1 1 1   11   26   17 o  604.306   30.894   9.4790   0.9567   10.067   1.3302   8.8491   1.3769  623.972   41.465  584.640   45.809 39.33185 61.78881 
1 1 1   11   26   19 o  1406.61   29.886   51.135   2.1582   49.602   2.9593   52.877   3.1544  1384.28   41.581  1428.94   42.938 -44.65210 59.77136 
1 1 1   11   26   21 o  691.741   30.416   12.440   1.0776   12.823   1.4754   12.001   1.5777  703.504   40.791  679.979   45.128 23.52496 60.83170 
1 1 1   11   26   23 o  474.842   31.143   5.9252   0.7515   6.6326   1.0339   5.1327   1.0943  505.706   39.766  443.979   47.940 61.72607 62.28631 
1 1 1   11   26   25 o  313.759   39.620   1.9269   0.5549   1.1789   0.6277   4.6017   1.1870  208.569   56.940  418.948   55.108 -210.3799 79.24097 
1 1 1   11   26   27 o  233.884   38.182   1.3905   0.4531   2.1784   0.7286   0.8937   0.5786  284.019   51.808  183.750   56.102 100.2695 76.36440 
1 1 1   11   26   29 o  610.882   42.948   9.9069   1.3484   10.087   1.9378   9.7382   1.8775  616.110   61.175  605.654   60.297 10.45557 85.89615 
1 1 1   11   26   31 o  614.523   30.640   9.8818   0.9641   8.7076   1.3332   11.169   1.3957  575.854   45.033  653.191   41.560 -77.33704 61.27948 
1 1 1   11   26   33 o  189.549   35.546   0.9891   0.3675   1.3531   0.5112   0.5997   0.5286  222.611   46.175  156.487   54.054 66.12401 71.09183 
1 1 1   11   26   35 o  590.754   31.288   9.2244   0.9501   9.1751   1.3302   9.2757   1.3576  589.270   43.906  592.239   44.587 -2.968811 62.57590 
1 1 1   11   26   37 o  261.881   50.117   1.9768   0.6865   2.0128   0.9010   1.9269   1.0599  265.422   66.240  258.339   75.228 7.083313 100.2348 
1 1 1   11   26   39 o  156.952   34.290   0.6672   0.3046   0.7259   0.3998   0.5861   0.4702  162.595   45.847  151.309   51.004 11.28622 68.58094 
1 1 1   11   26   41 o  324.146   43.465   2.8573   0.6697   3.4540   1.1562   2.5561   0.8215  346.104   67.400  302.188   54.899 43.91605 86.92908 
1 1 1   11   26   43 o  752.536   38.403   15.627   1.3868   15.736   1.6925   15.405   2.4193  765.742   42.992  739.331   63.647 26.41119 76.80682 
1 1 1   11   26   45 o  294.588   34.907   2.4173   0.5153   2.5649   0.7182   2.2607   0.7398  307.134   45.481  282.042   52.966 25.09207 69.81369 
1 1 1   11   26   47 o  207.031   44.106   1.2490   0.5413   0.6820   0.7694   1.8047   0.7617  167.983   64.093  246.079   60.608 -78.09679 88.21143 
1 1 1   11   26   49 o  300.580   49.411   2.6391   0.6745   2.4011   0.7801   3.3447   1.3429  285.597   55.124  315.564   82.019 -29.96750 98.82144 
1 1 1   11   27    0 o  1748.40   65.892   79.335   5.9039   79.335   5.9039   0.0000   0.0000  1748.40   65.892  1748.40   65.892 -0.000000 0.000000 
1 1 1   11   27    2 o  941.417   40.733   23.485   1.9021   25.262   2.4486   20.782   3.0205  988.476   48.182  894.358   65.691 94.11761 81.46635 
1 1 1   11   27    4 o  521.016   39.505   7.0244   1.0511   6.9617   1.4042   7.1043   1.5850  518.600   52.667  523.431   58.897 -4.830994 79.01028 
1 1 1   11   27    6 o  1354.00   38.066   47.593   2.6353   48.682   3.5691   46.287   3.9076  1371.66   50.611  1336.35   56.875 35.30737 76.13299 
1 1 1   11   27    8 o  1062.77   33.455   28.413   1.7604   26.448   2.1788   32.108   2.9876  1011.97   41.878  1113.57   52.183 -101.6057 66.90905 
1 1 1   11   27   10 o  2171.74   46.821  121.995   5.2278  121.995   5.2278   0.0000   0.0000  2171.74   46.821  ?   ?       ?      ? 
1 1 1   11   27   12 o  706.526   39.812   13.199   1.3467   12.265   2.3396   13.661   1.6468  686.193   66.317  726.858   44.069 -40.66577 79.62395 
1 1 1   11   27   14 o  708.941   31.586   12.997   1.1492   11.958   1.6053   14.089   1.6458  679.769   45.933  738.112   43.370 -58.34332 63.17271 
1 1 1   11   27   16 o  1223.88   30.927   38.879   1.9406   41.252   2.7067   36.369   2.7836  1262.80   41.691  1184.96   45.692 77.84216 61.85382 
1 1 1   11   27   18 f  1293.15   30.394   43.290   2.0189   42.569   2.7870   44.086   2.9285  1281.99   42.285  1304.31   43.671 -22.31323 60.78806 
1 1 1   11   27   20 o  1284.37   30.271   42.827   1.9939   43.320   2.7344   42.266   2.9138  1292.72   41.142  1276.02   44.415 16.69910 60.54247 
1 1 1   11   27   22 o  1172.15   30.089   35.679   1.8094   35.546   2.4776   35.832   2.6487  1170.18   41.182  1174.11   43.879 -3.936401 60.17793 
1 1 1   11   27   24 o  423.910   32.524   4.7978   0.6909   5.6858   0.9448   3.7772   1.0128  467.896   39.275  379.924   51.852 87.97134 65.04736 
1 1 1   11   27   26 o  173.807   33.671   0.6728   0.3558   1.4583   0.5445   0.0874   0.4701  232.135   47.232  115.479   48.002 116.6567 67.34294 
1 1 1   11   27   28 o  608.000   43.010   9.8324   1.3408   10.699   1.9036   8.9793   1.8888  635.427   58.269  580.573   63.279 54.85321 86.02090 
1 1 1   11   27   30 o  275.401   36.087   2.0508   0.4909   1.8990   0.6649   2.2325   0.7277  264.056   50.824  286.746   51.244 -22.68979 72.17354 
1 1 1   11   27   32 o  247.025   37.574   1.6864   0.4646   2.0340   0.6618   1.3486   0.6525  273.495   48.859  220.555   57.097 52.93939 75.14857 
1 1 1   11   27   34 o  395.664   32.795   4.1865   0.6605   4.6275   0.9090   3.6935   0.9612  418.956   42.204  372.372   50.208 46.58334 65.58937 
1 1 1   11   27   36 o  673.917   40.216   12.355   1.2722   12.460   1.5246   12.115   2.3084  685.791   43.241  662.044   67.820 23.74707 80.43201 
1 1 1   11   27   38 o  704.365   30.931   13.208   1.1180   12.260   1.5757   14.168   1.5866  678.105   45.197  730.625   42.239 -52.51904 61.86171 
1 1 1   11   27   40 o  523.925   31.556   7.3036   0.8467   6.4721   1.1563   8.2646   1.2432  491.417   45.767  556.433   43.456 -65.01587 63.11166 
1 1 1   11   27   42 o  495.823   38.290   6.7140   0.9292   6.6295   1.1500   6.8729   1.5769  496.221   45.077  495.424   61.908 0.7979431 76.58054 
1 1 1   11   27   44 o  369.299   34.210   3.7593   0.6422   4.2875   0.8971   3.2041   0.9197  398.116   43.828  340.482   52.540 57.63354 68.42012 
1 1 1   11   27   46 o  207.834   38.656   1.4101   0.5012   1.9748   0.5931   0.0000   0.9373  269.365   42.830  146.303   64.364 123.0623 77.31144 
1 1 1   11   27   48 o  409.447   33.492   4.6551   0.7014   4.0589   0.9609   5.3354   1.0263  380.271   49.148  438.623   45.511 -58.35236 66.98319 
1 1 1   11   27   50 o  294.613   47.080   2.5004   0.6399   2.1396   0.7498   3.4677   1.2276  265.992   56.565  323.235   75.275 -57.24380 94.15919 
1 1 1   11   28    1 o  1035.06   34.643   27.751   1.8412   26.581   2.6309   28.875   2.5775  1013.43   50.495  1056.68   47.444 -43.25372 69.28675 
1 1 1   11   28    3 o  1137.73   31.403   33.788   1.8123   35.963   2.4238   31.030   2.7291  1180.26   39.944  1095.21   48.468 85.04492 62.80694 
1 1 1   11   28    5 o  1188.47   30.653   36.300   1.8678   33.725   2.5305   39.383   2.7683  1142.45   43.083  1234.50   43.616 -92.04517 61.30645 
1 1 1   11   28    7 o  2463.80   27.834  156.805   3.5163  155.937   5.1571  157.560   4.8068  2457.00   40.826  2470.59   37.843 -13.59473 55.66719 
1 1 1   11   28    9 o  2580.45   44.303  172.423   5.3628  171.292   6.3827  175.140   9.8894  2572.29   48.263  2588.61   74.308 -16.31519 88.60585 
1 1 1   11   28   11 o  262.996   43.584   1.9020   0.5596   1.5813   1.0021   2.0473   0.6745  244.745   73.636  281.246   46.648 -36.50020 87.16814 
1 1 1   11   28   13 o  233.964   38.710   1.4781   0.4596   1.2282   0.6448   1.7362   0.6554  213.745   57.441  254.182   51.906 -40.43649 77.41933 
1 1 1   11   28   15 o  806.875   31.894   16.954   1.3129   19.362   1.8567   14.547   1.8566  864.919   41.753  748.832   48.225 116.0864 63.78851 
1 1 1   11   28   17 o  524.089   31.484   7.1124   0.8475   6.7137   1.1739   7.5465   1.2248  508.735   44.883  539.443   44.164 -30.70828 62.96799 
1 1 1   11   28   19 o  905.036   30.727   21.265   1.4274   21.293   1.9639   21.233   2.0781  905.934   42.166  904.138   44.705 1.796143 61.45312 
1 1 1   11   28   21 o  444.061   31.655   5.1165   0.7217   4.8459   0.9911   5.4220   1.0532  431.605   44.662  456.518   44.871 -24.91302 63.30973 
1 1 1   11   28   23 o  438.294   32.246   4.9965   0.7176   3.9994   0.9840   6.1287   1.0486  391.242   48.921  485.347   42.023 -94.10468 64.49190 
1 1 1   11   28   25 o  318.436   50.179   2.8296   0.7884   2.9354   1.0171   2.6701   1.2480  327.834   62.626  309.038   78.420 18.79633 100.3577 
1 1 1   11   28   27 o  1294.59   41.517   44.476   2.7607   42.397   3.9099   46.543   3.8986  1263.39   60.195  1325.80   57.195 -62.41235 83.03439 
1 1 1   11   28   29 o  173.714   36.691   0.7969   0.3555   0.6384   0.4866   0.9783   0.5206  158.092   51.850  189.335   51.926 -31.24246 73.38117 
1 1 1   11   28   31 o  549.672   31.770   8.0006   0.8928   8.7547   1.2454   7.2032   1.2807  577.312   41.958  522.031   47.716 55.28156 63.54023 
1 1 1   11   28   33 o  413.893   32.292   4.5360   0.6860   4.5497   0.9440   4.5207   0.9985  414.921   44.254  412.866   47.040 2.055359 64.58446 
1 1 1   11   28   35 o  286.024   36.017   2.2239   0.5165   1.9678   0.7204   2.4949   0.7410  265.983   54.511  306.064   47.090 -40.08075 72.03404 
1 1 1   11   28   37 o  203.959   40.531   0.9883   0.4291   1.7738   0.7767   0.6433   0.5147  249.740   61.016  158.178   53.367 91.56233 81.06137 
1 1 1   11   28   39 o  909.842   31.518   22.287   1.4605   25.248   2.0440   19.198   2.0877  974.882   40.781  844.802   48.068 130.0798 63.03653 
1 1 1   11   28   41 o  173.440   39.370   0.7930   0.3732   0.7540   0.4439   0.8873   0.6891  165.113   48.860  181.768   61.748 -16.65544 78.74082 
1 1 1   11   28   43 o  572.805   33.583   9.1337   0.9608   11.078   1.3286   7.0027   1.3910  642.738   40.205  502.872   53.803 139.8663 67.16512 
1 1 1   11   28   45 o  577.710   33.576   9.1672   0.9864   7.5246   1.3600   10.990   1.4327  520.413   50.830  635.007   43.883 -114.5944 67.15223 
1 1 1   11   28   47 o  354.040   48.531   4.1818   0.8033   2.7731   1.3535   4.9476   0.9980  285.544   85.502  422.535   45.941 -136.9903 97.06299 
1 1 1   11   28   49 o  475.244   34.370   6.4064   0.8298   5.2532   1.1475   7.6707   1.2014  426.894   52.282  523.594   44.631 -96.70050 68.74100 
1 1 1   11   29    0 o  1062.61   49.992   29.441   2.6948   32.243   4.0008   27.114   3.6461  1109.17   70.820  1016.05   70.579 0.000000 0.000000 
1 1 1   11   29    2 o  1079.30   31.255   29.660   1.7206   26.329   2.2690   34.167   2.6396  1009.16   43.732  1149.44   44.666 -140.2836 62.51047 
1 1 1   11   29    4 o  737.778   29.119   14.157   1.0972   12.838   1.5934   15.346   1.5130  704.617   43.984  770.938   38.172 -66.32056 58.23811 
1 1 1   11   29    6 o  1608.85   33.474   67.371   2.6918   68.646   3.4447   65.372   4.3137  1629.87   41.108  1587.84   52.841 42.02954 66.94825 
1 1 1   11   29    8 o  2508.10   44.640  162.100   5.3162  159.473   6.3714  168.119   9.6453  2480.87   49.953  2535.33   73.996 -54.45508 89.27905 
1 1 1   11   29   10 o  567.446   41.021   8.4951   1.1038   8.0473   1.9615   8.7026   1.3353  555.038   68.736  579.854   44.790 -24.81653 82.04139 
1 1 1   11   29   12 o  1035.48   32.468   27.873   1.7226   26.269   2.4924   29.339   2.3835  1006.46   48.167  1064.49   43.551 -58.03491 64.93672 
1 1 1   11   29   14 o  1332.61   31.832   46.163   2.1735   42.009   3.0839   50.263   3.0639  1272.33   47.144  1392.88   42.785 -120.5450 63.66425 
1 1 1   11   29   16 o  655.818   31.728   11.223   1.0632   12.456   1.4895   9.9412   1.5182  693.175   41.796  618.462   47.747 74.71301 63.45638 
1 1 1   11   29   18 o  480.871   32.321   6.0221   0.7978   6.2755   1.1139   5.7552   1.1431  491.464   44.083  470.277   47.277 21.18695 64.64127 
1 1 1   11   29   20 o  116.989   31.399   0.2441   0.2655   0.0950   0.3990   0.3627   0.3558  108.118   44.516  125.860   44.293 -17.74137 62.79759 
1 1 1   11   29   22 o  279.841   35.624   2.0782   0.5016   1.9300   0.6958   2.2384   0.7238  266.982   52.564  292.699   48.095 -25.71753 71.24737 
1 1 1   11   29   24 o  979.805   46.115   25.550   2.2796   25.638   2.9591   25.422   3.5755  985.110   58.425  974.500   71.365 10.61047 92.23070 
1 1 1   11   29   26 o  745.109   42.706   14.709   1.6324   16.126   2.3807   13.452   2.2426  779.251   59.424  710.967   61.353 68.28394 85.41293 
1 1 1   11   29   28 o  730.288   31.005   14.006   1.1617   14.177   1.5981   13.813   1.6916  735.562   42.259  725.014   45.382 10.54773 62.01063 
1 1 1   11   29   30 o  428.699   32.959   4.8993   0.7188   5.3609   0.9822   4.3672   1.0546  451.649   42.300  405.750   50.557 45.89957 65.91900 
1 1 1   11   29   32 o  723.821   31.105   13.826   1.1569   13.331   1.6048   14.362   1.6693  710.360   43.940  737.283   44.039 -26.92255 62.21080 
1 1 1   11   29   34 o  766.219   31.252   15.582   1.2287   15.776   1.6924   15.366   1.7867  772.074   42.637  760.364   45.705 11.71002 62.50499 
1 1 1   11   29   36 o  236.395   49.176   1.6201   0.6619   2.0615   0.8855   1.0611   0.9964  268.234   64.913  204.556   73.888 63.67874 98.35173 
1 1 1   11   29   38 o  672.261   31.473   12.100   1.0853   12.812   1.5209   11.361   1.5493  693.501   42.656  651.021   46.288 42.47974 62.94513 
1 1 1   11   29   40 o  455.914   49.065   6.0673   1.0916   4.7353   1.5662   7.3254   1.5221  396.924   79.521  514.905   57.499 -117.9806 98.13100 
1 1 1   11   29   42 o  311.856   36.506   2.7409   0.5528   1.8721   0.7668   3.6812   0.7977  253.735   59.767  369.977   41.938 -116.2417 73.01296 
1 1 1   11   29   44 o  369.652   34.171   3.7674   0.6486   3.9488   0.9132   3.5829   0.9212  379.395   46.819  359.910   49.784 19.48456 68.34145 
1 1 1   11   29   46 o  172.114   43.819   0.8128   0.5077   1.0311   0.6245   0.3874   0.8718  187.443   58.463  156.786   65.288 30.65686 87.63831 
1 1 1   11   29   48 o  404.314   34.995   4.6129   0.7212   3.8657   0.9818   5.4881   1.0627  366.955   52.043  441.672   46.798 -74.71747 69.98924 
1 1 1   11   30    1 o  763.195   35.114   15.087   1.3775   15.503   1.9667   14.685   1.9300  773.562   49.450  752.829   49.865 20.73322 70.22715 
1 1 1   11   30    3 o  1007.85   31.336   26.181   1.6127   25.477   2.1462   27.095   2.4442  992.662   42.053  1023.04   46.470 -30.38287 62.67284 
1 1 1   11   30    5 o  828.708   34.224   18.013   1.4120   18.748   1.8072   16.862   2.2622  851.552   41.278  805.864   54.602 45.68805 68.44886 
1 1 1   11   30    7 o  945.990   36.841   23.122   1.7835   20.185   2.4415   26.482   2.6114  881.569   53.868  1010.41   50.271 -128.8424 73.68136 
1 1 1   11   30    9 o  481.257   31.037   5.9900   0.7651   5.9069   1.0354   6.0900   1.1357  477.723   42.155  484.792   45.565 -7.068634 62.07460 
1 1 1   11   30   11 o  494.708   34.074   6.4119   0.8582   5.7391   1.2586   6.9967   1.1733  469.819   52.107  519.598   43.922 -49.77908 68.14851 
1 1 1   11   30   13 o  186.924   37.717   0.9274   0.3794   1.0002   0.5622   0.8665   0.5141  193.271   54.323  180.577   52.339 12.69406 75.43449 
1 1 1   11   30   15 o  183.643   35.693   0.8688   0.3692   1.3439   0.5360   0.4397   0.5094  223.112   48.141  144.175   52.712 78.93640 71.38686 
1 1 1   11   30   17 f  176.474   34.184   0.8302   0.3372   1.1876   0.4702   0.4517   0.4839  209.789   44.947  143.159   51.518 66.63042 68.36893 
1 1 1   11   30   19 o  982.273   31.527   25.237   1.5846   27.404   2.2096   22.942   2.2737  1026.63   41.863  937.916   47.152 88.71356 63.05397 
1 1 1   11   30   21 o  488.608   32.073   6.2260   0.8054   6.0833   1.1203   6.3787   1.1587  482.853   45.129  494.363   45.588 -11.51016 64.14699 
1 1 1   11   30   23 f  212.881   74.951   1.0995   1.0188   0.0000   0.0000   1.0995   1.0188  ?   ?   212.881   74.951      ?      ? 
1 1 1   11   30   25 o  880.797   42.284   20.554   1.9114   22.086   2.8010   19.220   2.6148  911.402   59.777  850.193   59.821 61.20850 84.56892 
1 1 1   11   30   27 o  254.516   36.153   1.7641   0.4630   2.0944   0.6480   1.4196   0.6618  282.357   44.637  226.676   56.882 55.68123 72.30537 
1 1 1   11   30   29 o  596.295   31.412   9.3373   0.9607   8.4973   1.3209   10.281   1.3999  567.636   45.261  624.954   43.570 -57.31793 62.82452 
1 1 1   11   30   31 o  140.712   31.612   0.4952   0.2926   0.8130   0.3749   0.0000   0.4679  172.274   42.571  109.151   46.745 63.12337 63.22498 
1 1 1   11   30   33 o  511.938   31.841   6.9226   0.8342   6.0553   1.1395   7.9241   1.2244  477.039   46.462  546.836   43.552 -69.79715 63.68277 
1 1 1   11   30   35 o  204.784   48.636   1.1339   0.6047   1.1746   0.8359   1.0893   0.8757  207.064   67.960  202.504   69.593 4.560455 97.27100 
1 1 1   11   30   37 o  222.695   36.187   1.3915   0.4058   1.4621   0.5681   1.3179   0.5798  228.922   49.697  216.468   52.615 12.45404 72.37493 
1 1 1   11   30   39 o  750.854   45.047   15.891   1.7141   12.970   2.4107   18.878   2.4376  674.698   69.498  827.009   57.331 -152.3103 90.09306 
1 1 1   11   30   41 o  265.935   36.386   1.9770   0.4841   1.4416   0.6669   2.5732   0.7038  223.252   57.691  308.618   44.357 -85.36598 72.77229 
1 1 1   11   30   43 o  161.485   34.878   0.7270   0.3184   0.8359   0.4511   0.6189   0.4495  171.696   48.801  151.275   49.844 20.42047 69.75672 
1 1 1   11   30   45 o  113.482   34.962   0.0000   0.3700   0.0000   0.4630   0.0000   0.6153  106.143   45.986  120.821   52.674 -14.67844 69.92386 
1 1 1   11   30   47 o  573.857   33.321   9.2420   0.9823   8.8930   1.3574   9.6258   1.4234  562.711   46.918  585.002   47.327 -22.29144 66.64165 
1 1 1   11   31    0 o  659.630   79.250   11.784   2.5849   0.0000   0.0000   11.784   2.5849  659.630   79.250  659.630   79.250 -0.000000 0.000000 
1 1 1   11   31    2 o  1130.81   44.498   32.929   2.4130   32.171   2.9118   34.591   4.3113  1113.22   50.877  1148.40   73.020 -35.18530 88.99660 
1 1 1   11   31    4 o  182.660   39.153   0.8730   0.3983   0.8818   0.5355   0.8621   0.5958  182.606   53.558  182.713   57.125 -0.1067963 78.30512 
1 1 1   11   31    6 o  1367.50   39.106   47.126   2.3712   51.779   4.8703   45.681   2.7147  1406.23   67.364  1328.76   39.737 77.46826 78.21110 
1 1 1   11   31    8 o  817.304   31.923   17.271   1.3003   17.540   2.1240   17.109   1.6445  821.531   50.287  813.078   39.339 8.453369 63.84613 
1 1 1   11   31   10 o  339.324   35.318   2.9665   0.6131   3.3791   0.9172   2.6331   0.8244  360.496   49.486  318.152   50.402 42.34363 70.63499 
1 1 1   11   31   12 o  383.930   35.358   3.8197   0.6952   4.0332   1.0397   3.6471   0.9349  393.450   51.400  374.411   48.568 19.03894 70.71599 
1 1 1   11   31   14 o  664.211   33.171   11.506   1.1302   10.944   1.6255   12.032   1.5726  648.145   48.780  680.277   44.965 -32.13141 66.34222 
1 1 1   11   31   16 o  1098.13   31.978   31.393   1.8052   30.842   2.5516   31.946   2.5544  1088.35   45.601  1107.90   44.845 -19.54321 63.95691 
1 1 1   11   31   18 o  546.599   32.699   7.8544   0.9022   6.0899   1.2618   9.7002   1.2905  482.451   50.869  610.747   41.099 -128.2958 65.39732 
1 1 1   11   31   20 o  509.064   32.601   6.7709   0.8459   5.6552   1.1720   7.9841   1.2221  464.744   49.050  553.383   42.956 -88.63910 65.20107 
1 1 1   11   31   22 o  682.165   74.855   12.546   2.6253   0.0000   0.0000   12.546   2.6253  ?   ?   682.165   74.855      ?      ? 
1 1 1   11   31   24 o  179.358   36.896   0.7969   0.3704   0.4757   0.4816   1.2623   0.5797  144.213   51.450  214.503   52.898 -70.29042 73.79207 
1 1 1   11   31   26 o  653.226   31.377   11.205   1.0527   11.051   1.4527   11.375   1.5277  648.769   43.552  657.683   45.181 -8.914551 62.75429 
1 1 1   11   31   28 o  577.472   31.756   8.7744   0.9417   8.2485   1.2985   9.3578   1.3676  559.177   45.167  595.767   44.650 -36.59070 63.51136 
1 1 1   11   31   30 o  706.808   32.333   13.353   1.1634   14.764   1.6022   11.780   1.6920  748.454   41.637  665.161   49.478 83.29297 64.66647 
1 1 1   11   31   32 o  749.153   31.578   14.835   1.2134   13.581   1.6597   16.274   1.7785  715.036   45.147  783.270   44.164 -68.23383 63.15670 
1 1 1   11   31   34 o  239.753   47.755   1.6367   0.7068   2.6405   0.9469   0.3741   1.0620  305.244   62.445  174.262   72.267 130.9821 95.50900 
1 1 1   11   31   36 o  493.061   32.988   6.5107   0.8356   6.3093   1.1541   6.7326   1.2113  485.226   46.264  500.896   47.036 -15.67044 65.97524 
1 1 1   11   31   38 o  390.664   48.172   4.3557   0.9465   4.7160   1.3934   4.0472   1.2897  408.724   66.311  372.603   69.892 36.12140 96.34306 
1 1 1   11   31   40 o  310.055   36.240   2.7069   0.5502   3.3992   0.7804   2.0229   0.7758  355.402   42.712  264.707   58.559 90.69479 72.48052 
1 1 1   11   31   42 o  316.660   36.108   2.8168   0.5718   3.0688   0.8019   2.5561   0.8156  334.861   46.578  298.461   55.187 36.40005 72.21558 
1 1 1   11   31   44 o  232.874   44.159   1.3735   0.4951   1.0173   0.5742   2.4044   0.9769  186.722   55.643  279.026   68.585 -92.30467 88.31795 
1 1 1   11   31   46 o  276.947   37.343   2.2285   0.5154   1.2368   0.6964   3.4300   0.7665  201.361   61.560  352.534   42.288 -151.1726 74.68553 
1 1 1   11   32    1 o  913.877   52.696   22.001   2.4758   22.193   3.4979   21.809   3.5047  917.985   74.113  909.770   74.930 8.214966 105.3912 
1 1 1   11   32    3 o  552.639   47.859   8.5337   1.2017   6.8244   2.1765   9.2833   1.4414  507.306   83.449  597.971   46.884 -90.66510 95.71752 
1 1 1   11   32    5 o  501.606   35.029   6.7252   0.8570   5.9133   1.4108   7.2001   1.0789  475.929   57.657  527.283   39.799 -51.35410 70.05873 
1 1 1   11   32    7 o  1121.02   33.142   33.514   1.8210   29.537   2.9686   35.913   2.3058  1064.25   54.255  1177.78   38.080 -113.5323 66.28435 
1 1 1   11   32    9 o  665.844   43.456   11.079   1.2629   10.622   1.4324   12.675   2.6759  639.656   43.557  692.032   75.209 -52.37598 86.91113 
1 1 1   11   32   11 o  984.318   33.740   25.399   1.6948   23.197   2.4783   27.334   2.3228  943.037   51.116  1025.60   44.053 -82.56183 67.47962 
1 1 1   11   32   13 o  910.169   32.932   21.597   1.5386   21.136   2.2249   22.020   2.1299  900.468   48.059  919.871   45.037 -19.40247 65.86351 
1 1 1   11   32   15 o  661.470   33.682   11.571   1.1247   9.1824   1.6035   13.885   1.5781  592.249   52.661  730.691   42.007 -138.4418 67.36310 
1 1 1   11   32   17 o  999.874   32.322   26.131   1.6577   28.142   2.3430   24.116   2.3455  1039.04   43.861  960.706   47.487 78.33704 64.64372 
1 1 1   11   32   19 o  567.371   32.894   8.4549   0.9507   7.1027   1.3351   9.8461   1.3542  520.415   49.899  614.327   42.875 -93.91217 65.78835 
1 1 1   11   32   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   32   23 o  649.050   37.915   11.523   1.1932   12.487   1.5013   9.8708   1.9659  690.652   42.281  607.448   62.949 83.20313 75.83092 
1 1 1   11   32   25 o  779.347   32.209   15.914   1.2695   12.327   1.7290   20.109   1.8701  682.958   49.240  875.736   41.535 -192.7780 64.41863 
1 1 1   11   32   27 o  458.151   33.012   5.5425   0.7695   4.5418   1.0606   6.6549   1.1181  413.637   49.871  502.666   43.266 -89.02890 66.02346 
1 1 1   11   32   29 o  407.959   33.743   4.4202   0.7057   3.9868   0.9837   4.8797   1.0128  386.873   49.457  429.046   45.916 -42.17316 67.48554 
1 1 1   11   32   31 o  273.000   36.877   2.0796   0.4996   2.4098   0.6778   1.6868   0.7392  301.455   43.735  244.544   59.389 56.91110 73.75468 
1 1 1   11   32   33 o  649.428   41.768   11.239   1.2432   10.895   1.4528   12.182   2.4025  639.809   44.165  659.047   70.907 -19.23737 83.53606 
1 1 1   11   32   35 o  221.038   36.981   1.3594   0.4120   1.2342   0.5508   1.5185   0.6207  209.692   51.473  232.384   53.113 -22.69211 73.96277 
1 1 1   11   32   37 o  466.063   46.005   6.1204   1.0999   5.8869   1.5854   6.3370   1.5272  455.852   67.647  476.274   62.368 -20.42273 92.00977 
1 1 1   11   32   39 o  200.333   43.917   0.9945   0.4560   0.7786   0.5314   1.5975   0.8880  168.417   54.105  232.249   69.191 -63.83162 87.83360 
1 1 1   11   32   41 o  649.072   32.961   11.564   1.0940   12.784   1.5402   10.322   1.5541  686.133   43.662  612.010   49.390 74.12323 65.92220 
1 1 1   11   32   43 o  462.311   35.230   6.0587   0.8055   7.8704   1.1442   4.2781   1.1343  537.720   41.388  386.901   57.024 150.8194 70.46074 
1 1 1   11   32   45 o  292.283   46.061   2.6559   0.6640   2.4529   1.1116   2.7685   0.8279  272.808   76.279  311.759   51.652 -38.95126 92.12186 
1 1 1   11   33    0 o  1139.32   50.914   34.153   2.9459   34.862   4.3575   33.556   3.9979  1149.35   74.459  1129.29   69.460 0.000000 0.000000 
1 1 1   11   33    2 o  1919.12   35.126   95.805   3.4640   98.957   4.9939   92.881   4.8091  1949.45   49.826  1888.80   49.524 60.64844 70.25101 
1 1 1   11   33    4 o  1077.43   31.951   30.304   1.7526   31.268   2.3436   29.082   2.6398  1097.85   41.522  1057.01   48.575 40.83215 63.90276 
1 1 1   11   33    6 o  398.078   30.900   4.1207   0.6308   4.0535   0.9210   4.1800   0.8657  394.857   45.370  401.298   41.961 -6.440735 61.79962 
1 1 1   11   33    8 o  1034.95   28.944   27.805   1.5359   27.753   2.2551   27.851   2.0977  1033.65   42.434  1036.24   39.374 -2.583740 57.88761 
1 1 1   11   33   10 o  890.701   30.982   20.704   1.4097   21.336   1.9074   19.944   2.0929  906.384   40.931  875.019   46.522 31.36578 61.96467 
1 1 1   11   33   12 o  446.975   34.970   5.1519   0.7928   6.4858   1.1898   4.0865   1.0633  498.784   46.397  395.166   52.336 103.6171 69.94071 
1 1 1   11   33   14 o  1159.37   32.881   34.980   1.9566   37.843   2.8506   32.429   2.6905  1204.27   46.042  1114.47   46.956 89.79761 65.76263 
1 1 1   11   33   16 o  527.821   33.789   7.3092   0.9052   8.8330   1.3033   5.8888   1.2583  581.908   43.564  473.734   51.661 108.1736 67.57752 
1 1 1   11   33   18 o  432.610   50.189   5.6157   0.9382   3.9678   1.7075   6.3285   1.1229  373.193   90.030  492.028   44.392 -118.8354 100.3789 
1 1 1   11   33   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   33   22 o  248.826   36.037   1.6689   0.4582   0.9113   0.6247   2.5507   0.6740  185.581   58.565  312.072   42.010 -126.4906 72.07458 
1 1 1   11   33   24 f  541.595   32.815   7.7567   0.9109   8.1559   1.2631   7.3242   1.3148  556.809   44.123  526.381   48.585 30.42798 65.63023 
1 1 1   11   33   26 o  490.886   33.468   6.3900   0.8277   4.8450   1.1393   8.1175   1.2047  426.450   51.962  555.323   42.194 -128.8724 66.93551 
1 1 1   11   33   28 o  211.900   38.909   1.2540   0.4423   0.8193   0.6301   1.6761   0.6209  177.313   59.043  246.486   50.690 -69.17288 77.81700 
1 1 1   11   33   30 o  428.621   35.137   5.0235   0.7504   6.2753   1.0490   3.7112   1.0740  486.996   41.896  370.246   56.420 116.7507 70.27443 
1 1 1   11   33   32 o  890.210   42.500   21.742   1.7259   21.795   2.0288   21.600   3.2833  905.248   43.592  875.172   72.971 30.07635 85.00052 
1 1 1   11   33   34 o  628.070   38.455   10.634   1.2076   11.200   1.9670   10.292   1.5298  637.536   60.012  618.605   48.102 18.93079 76.91085 
1 1 1   11   33   36 o  588.142   45.823   9.6832   1.3664   11.885   2.0005   7.7573   1.8709  654.596   59.443  521.688   69.754 132.9075 91.64629 
1 1 1   11   33   38 o  624.544   32.508   10.542   1.0425   10.013   1.4324   11.138   1.5202  608.026   45.820  641.062   46.124 -33.03583 65.01508 
1 1 1   11   33   40 o  191.977   38.940   1.0645   0.4054   1.1445   0.5583   0.9753   0.5897  199.239   53.413  184.714   56.679 14.52505 77.88088 
1 1 1   11   33   42 o  248.879   37.814   1.7938   0.4686   1.6997   0.6388   1.9034   0.6894  241.992   52.829  255.766   54.116 -13.77419 75.62724 
1 1 1   11   33   44 o  312.223   56.858   3.3000   0.9158   3.4939   1.1867   3.0144   1.4401  332.151   71.599  292.296   88.345 39.85529 113.7159 
1 1 1   11   34    1 o  934.125   35.718   22.764   1.7132   24.335   2.4491   21.258   2.3975  966.009   49.312  902.242   51.685 63.76611 71.43533 
1 1 1   11   34    3 o  1406.62   31.962   51.276   2.2928   49.889   3.0372   53.114   3.4959  1385.54   42.637  1427.71   47.627 -42.16248 63.92375 
1 1 1   11   34    5 o  673.913   29.655   11.780   1.0264   12.278   1.4930   11.334   1.4134  687.328   42.251  660.497   41.623 26.83173 59.30968 
1 1 1   11   34    7 o  645.937   32.694   10.783   1.0556   11.250   1.7212   10.502   1.3365  656.100   51.027  635.774   40.887 20.32544 65.38731 
1 1 1   11   34    9 o  680.394   29.378   11.983   1.0245   13.377   1.5023   10.771   1.4008  717.370   40.732  643.419   42.347 73.95093 58.75698 
1 1 1   11   34   11 o  277.184   35.417   2.0622   0.4849   1.9781   0.6583   2.1622   0.7171  271.102   49.032  283.266   51.120 -12.16382 70.83365 
1 1 1   11   34   13 o  640.758   34.410   10.768   1.1281   10.494   1.6665   11.001   1.5328  632.574   51.241  648.942   45.941 -16.36737 68.81992 
1 1 1   11   34   15 o  158.307   36.598   0.6398   0.3452   0.5043   0.5309   0.7391   0.4543  149.985   53.965  166.629   49.452 -16.64420 73.19682 
1 1 1   11   34   17 o  286.918   51.317   2.2948   0.7419   2.2856   1.2097   2.3004   0.9393  285.532   79.484  288.303   64.933 -2.771240 102.6348 
1 1 1   11   34   19 o  777.637   62.550   16.157   2.5008   16.157   2.5008   0.0000   0.0000  777.637   62.550  ?   ?       ?      ? 
1 1 1   11   34   21 o  192.635   37.537   1.0211   0.3907   1.2439   0.5366   0.7697   0.5700  212.922   49.889  172.348   56.099 40.57355 75.07330 
1 1 1   11   34   23 o  583.416   32.927   8.9849   0.9872   8.9487   1.3759   9.0233   1.4173  582.405   45.952  584.427   47.171 -2.021973 65.85346 
1 1 1   11   34   25 o  449.997   33.716   5.3644   0.7790   4.9977   1.0848   5.7548   1.1194  433.855   48.635  466.138   46.709 -32.28323 67.43233 
1 1 1   11   34   27 o  414.546   32.949   4.5716   0.7009   4.6931   0.9708   4.4393   1.0131  420.796   44.873  408.296   48.261 12.49951 65.89885 
1 1 1   11   34   29 o  251.362   36.884   1.7258   0.4703   1.2923   0.6466   2.2129   0.6853  214.503   57.471  288.221   46.247 -73.71849 73.76764 
1 1 1   11   34   31 o  507.255   33.677   6.9027   0.8761   7.1176   1.2108   6.6666   1.2693  516.401   45.604  498.110   49.565 18.29169 67.35306 
1 1 1   11   34   33 f  157.628   38.009   0.5845   0.3738   0.9097   0.5811   0.3550   0.4882  181.756   56.349  133.500   51.024 48.25568 76.01782 
1 1 1   11   34   35 o  681.396   46.069   13.156   1.5953   11.140   2.2686   15.128   2.2438  624.115   70.700  738.678   59.083 -114.5620 92.13704 
1 1 1   11   34   37 o  102.746   29.865   0.0967   0.2552   0.2077   0.3741   0.0000   0.3491  111.698   44.104   93.793   40.280 17.90494 59.73005 
1 1 1   11   34   39 o  518.291   33.617   7.3711   0.8944   7.5214   1.2396   7.2079   1.2916  524.878   45.936  511.703   49.096 13.17511 67.23485 
1 1 1   11   34   41 o  212.143   39.038   1.3138   0.4315   1.5256   0.6288   1.1252   0.5933  228.385   54.340  195.902   56.062 32.48270 78.07579 
1 1 1   11   34   43 o  170.282   44.371   0.7683   0.5012   0.6990   0.6381   0.8797   0.8096  161.893   59.029  178.672   66.262 -16.77908 88.74204 
1 1 1   11   35    0 o  642.179   54.907   11.189   1.7358   10.513   2.3341   12.026   2.5962  620.399   76.269  663.958   79.007 -0.000000 0.000000 
1 1 1   11   35    2 o  208.025   40.628   1.1681   0.4574   1.4641   0.6453   0.8692   0.6485  231.768   54.984  184.281   59.827 47.48665 81.25596 
1 1 1   11   35    4 o  492.578   34.672   6.5643   0.8462   7.7178   1.1301   5.0920   1.2767  544.887   40.340  440.268   56.402 104.6194 69.34382 
1 1 1   11   35    6 o  828.068   29.712   17.880   1.2608   17.401   1.8450   18.300   1.7268  817.165   43.916  838.971   40.033 -21.80627 59.42462 
1 1 1   11   35    8 o  1096.69   29.427   31.378   1.6541   30.356   2.4114   32.287   2.2732  1079.16   43.463  1114.23   39.682 -35.07178 58.85336 
1 1 1   11   35   10 o  298.090   32.235   2.3271   0.4926   2.2154   0.7125   2.4295   0.6818  291.001   47.621  305.179   43.457 -14.17792 64.46917 
1 1 1   11   35   12 o  247.338   37.347   1.6613   0.4609   1.4247   0.6357   1.9236   0.6691  228.137   54.867  266.539   50.683 -38.40227 74.69379 
1 1 1   11   35   14 o  1043.49   44.560   28.984   2.1390   28.979   4.0427   28.986   2.5208  1035.30   75.952  1051.68   46.621 -16.37463 89.11915 
1 1 1   11   35   16 o  574.424   55.180   9.6778   1.4557   6.9411   2.3284   11.434   1.8651  491.612   95.565  657.236   55.197 -165.6246 110.3600 
1 1 1   11   35   18 o  352.253   69.584   3.4555   1.2155   3.4555   1.2155   0.0000   0.0000  352.253   69.584  ?   ?       ?      ? 
1 1 1   11   35   20 o  209.977   36.942   1.2045   0.4052   1.5885   0.5862   0.8533   0.5607  241.130   48.960  178.824   55.333 62.30542 73.88355 
1 1 1   11   35   22 o  458.788   33.867   5.5620   0.7976   5.1431   1.1051   6.0175   1.1522  440.538   48.793  477.039   46.981 -36.50101 67.73438 
1 1 1   11   35   24 o  266.944   39.366   1.9908   0.5212   2.1405   0.7090   1.8149   0.7687  279.391   51.249  254.497   59.769 24.89371 78.73257 
1 1 1   11   35   26 o  769.223   32.611   15.773   1.2850   16.666   1.7806   14.803   1.8564  793.310   43.657  745.135   48.457 48.17480 65.22295 
1 1 1   11   35   28 o  622.289   32.906   10.287   1.0478   8.9825   1.4387   11.760   1.5290  579.581   48.281  664.996   44.722 -85.41504 65.81146 
1 1 1   11   35   30 o  452.341   34.779   5.5645   0.7958   6.5112   1.1091   4.5600   1.1424  494.583   43.617  410.099   54.185 84.48480 69.55890 
1 1 1   11   35   32 o  839.620   53.829   21.115   2.1826   24.404   2.8313   16.297   3.4264  942.076   58.456  737.165   90.406 204.9115 107.6590 
1 1 1   11   35   34 o  694.696   47.104   13.750   1.6658   12.064   2.3998   15.318   2.3140  647.895   72.046  741.498   60.699 -93.60327 94.20702 
1 1 1   11   35   36 o  390.391   34.306   4.1176   0.6854   3.7096   0.9197   4.6272   1.0279  368.848   48.499  411.935   48.534 -43.08701 68.61237 
1 1 1   11   35   38 o  372.407   34.578   3.8164   0.6620   3.8057   0.9282   3.8276   0.9443  372.062   48.523  372.752   49.275 -0.6906738 69.15577 
1 1 1   11   35   40 o  482.367   34.417   6.4891   0.8487   7.0778   1.1846   5.8685   1.2164  507.258   45.423  457.477   51.719 49.78079 68.83404 
1 1 1   11   35   42 o  155.318   42.260   0.4833   0.4213   0.3475   0.4848   0.9018   0.8511  129.497   50.486  181.138   67.786 -51.64052 84.52093 
1 1 1   11   36    1 o  223.153   40.681   1.3790   0.4862   1.8225   0.6681   0.8797   0.7088  259.221   51.937  187.084   62.629 72.13654 81.36261 
1 1 1   11   36    3 o  849.372   35.930   18.864   1.5669   20.161   2.2823   17.709   2.1549  876.966   50.619  821.777   51.005 55.18909 71.85950 
1 1 1   11   36    5 o  994.843   32.330   25.654   1.6438   24.056   2.1851   27.736   2.4948  959.953   44.275  1029.73   47.124 -69.78070 64.66013 
1 1 1   11   36    7 o  345.037   32.166   3.1248   0.5679   2.8180   0.8108   3.4203   0.7957  328.004   48.079  362.069   42.744 -34.06467 64.33228 
1 1 1   11   36    9 o  624.874   30.547   10.246   0.9765   9.4855   1.4163   10.935   1.3481  602.075   45.754  647.672   40.486 -45.59747 61.09472 
1 1 1   11   36   11 o  265.949   41.387   2.0628   0.5687   1.0884   0.8780   2.7669   0.7464  206.749   69.702  325.149   44.647 -118.4000 82.77481 
1 1 1   11   36   13 o  529.808   58.432   8.6159   1.3784   5.4238   2.2690   10.483   1.7354  429.727  103.854  629.889   53.586 -200.1617 116.8638 
1 1 1   11   36   15 o  493.427   38.252   6.3167   0.9601   5.5013   1.2532   7.4748   1.4937  455.852   53.474  531.002   54.712 -75.14972 76.50384 
1 1 1   11   36   17 o  668.971   53.060   12.478   1.7717   13.591   2.3230   10.932   2.7393  711.010   63.548  626.932   84.988 84.07855 106.1190 
1 1 1   11   36   19 o  639.303   33.948   10.825   1.1123   9.8529   1.5715   11.801   1.5745  609.683   50.136  668.923   45.784 -59.23944 67.89504 
1 1 1   11   36   21 o  464.959   34.150   5.7278   0.8159   6.0016   1.1730   5.4713   1.1355  475.812   47.950  454.106   48.638 21.70615 68.29984 
1 1 1   11   36   23 o  485.112   33.828   6.3189   0.8343   7.0431   1.1487   5.5105   1.2137  516.282   43.277  453.941   52.003 62.34052 67.65547 
1 1 1   11   36   25 o  465.905   34.543   5.7894   0.8251   5.2259   1.1465   6.3950   1.1884  441.826   50.470  489.985   47.175 -48.15894 69.08528 
1 1 1   11   36   27 o  237.663   38.998   1.5524   0.4935   2.2343   0.7138   0.9280   0.6830  289.007   48.037  186.318   61.446 102.6890 77.99506 
1 1 1   11   36   29 o  442.026   40.130   5.2512   0.8930   5.7165   1.4372   4.9585   1.1398  455.596   61.356  428.456   51.743 27.14075 80.26083 
1 1 1   11   36   31 o  370.533   84.441   4.1693   1.5728   0.0000   0.0000   4.1693   1.5728  ?   ?   370.533   84.441      ?      ? 
1 1 1   11   36   33 o  218.176   42.703   1.4919   0.5315   1.9220   0.6429   0.5629   0.9449  262.458   49.458  173.893   69.629 88.56546 85.40634 
1 1 1   11   36   35 o  539.388   33.589   7.8667   0.9283   7.1168   1.2578   8.7637   1.3757  511.115   47.866  567.661   47.136 -56.54611 67.17830 
1 1 1   11   36   37 o  480.448   34.245   6.3453   0.8456   6.2706   1.1780   6.4246   1.2145  477.843   47.951  483.054   48.904 -5.210938 68.48994 
1 1 1   11   36   39 o  174.993   38.412   0.8684   0.3886   0.6556   0.5452   1.0882   0.5539  156.825   54.853  193.162   53.788 -36.33694 76.82439 
1 1 1   11   36   41 o  226.126   49.124   1.5298   0.5857   1.3971   0.6955   1.8534   1.0858  214.307   60.486  237.944   77.423 -23.63724 98.24886 
1 1 1   11   37    0 o  792.073   56.101   17.401   2.1499   13.926   3.1514   20.426   2.9405  708.109   90.625  876.037   66.154 0.000000 0.000000 
1 1 1   11   37    2 o  484.447   37.336   6.1943   0.9215   7.2482   1.3197   5.1914   1.2874  525.593   48.838  443.301   56.487 82.29239 74.67277 
1 1 1   11   37    4 o  646.196   33.227   11.020   1.0879   11.453   1.4401   10.443   1.6606  662.284   42.293  630.109   51.259 32.17499 66.45453 
1 1 1   11   37    6 o  471.852   39.350   5.9920   0.9355   5.0817   1.3933   6.7394   1.2625  437.052   62.005  506.651   48.466 -69.59848 78.69951 
1 1 1   11   37    8 o  234.619   43.221   1.3720   0.5802   0.4800   0.7698   2.5449   0.8828  164.155   63.722  305.083   58.409 -140.9273 86.44117 
1 1 1   11   37   10 o  746.643   40.766   14.802   1.5623   14.796   2.1489   14.810   2.2752  747.162   55.941  746.123   59.312 1.038208 81.53121 
1 1 1   11   37   12 o  896.347   37.975   22.336   1.6191   24.677   2.0165   18.089   2.7160  971.503   40.372  821.191   64.331 150.3120 75.95014 
1 1 1   11   37   14 o  457.987   51.860   5.8450   1.0597   5.9190   1.2545   5.6607   1.9798  472.827   51.606  443.146   89.970 29.68182 103.7195 
1 1 1   11   37   16 o  713.817   56.116   14.604   1.9600   16.563   2.5468   11.759   3.0694  783.970   63.187  643.665   92.753 140.3053 112.2310 
1 1 1   11   37   18 o  298.400   39.857   2.4637   0.5902   1.6957   0.8276   3.2586   0.8420  245.731   64.639  351.069   46.649 -105.3379 79.71406 
1 1 1   11   37   20 o  877.913   33.765   20.523   1.5150   17.995   2.1394   23.065   2.1455  821.791   50.637  934.034   44.679 -112.2435 67.53053 
1 1 1   11   37   22 o  251.843   38.143   1.7904   0.4948   1.0618   0.7093   2.4809   0.6905  197.554   62.409  306.132   43.873 -108.5787 76.28671 
1 1 1   11   37   24 o  167.875   34.724   0.6548   0.3760   1.3504   0.5400   0.0000   0.5239  220.809   48.861  114.942   49.352 105.8671 69.44791 
1 1 1   11   37   26 o  363.244   35.405   3.5498   0.6594   3.8394   0.9332   3.2610   0.9319  378.719   47.930  347.769   52.122 30.94940 70.80964 
1 1 1   11   37   28 o  628.346   33.572   10.579   1.0837   10.033   1.5061   11.164   1.5604  611.322   47.921  645.369   47.029 -34.04706 67.14304 
1 1 1   11   37   30 o  688.263   81.313   13.877   2.8773   0.0000   0.0000   13.877   2.8773  ?   ?   688.263   81.313      ?      ? 
1 1 1   11   37   32 o  210.300   44.879   1.2252   0.4990   1.1471   0.6020   1.3964   0.8918  200.722   56.138  219.878   70.037 -19.15636 89.75846 
1 1 1   11   37   34 o  456.518   35.520   5.6631   0.8293   4.9605   1.1182   6.5216   1.2361  424.784   51.203  488.252   49.243 -63.46802 71.03970 
1 1 1   11   37   36 f  521.717   34.303   7.4865   0.9192   7.3748   1.2691   7.6099   1.3333  518.244   47.630  525.191   49.377 -6.946533 68.60545 
1 1 1   11   37   38 o  269.842   38.977   2.1015   0.5217   1.7580   0.7050   2.5173   0.7756  243.974   57.199  295.710   52.963 -51.73550 77.95413 
1 1 1   11   37   40 o  257.293   38.183   1.9442   0.4983   1.5793   0.7090   2.3005   0.7006  228.020   59.754  286.567   47.553 -58.54736 76.36631 
1 1 1   11   38    1 o  351.581   54.089   3.4813   0.9547   4.2741   1.3657   2.7238   1.3350  393.317   70.110  309.845   82.384 83.47180 108.1788 
1 1 1   11   38    3 o  1519.78   49.600   62.285   3.8507   61.966   5.7651   62.542   5.1741  1512.12   74.157  1527.43   65.888 -15.30933 99.19928 
1 1 1   11   38    5 o  1309.79   41.623   45.462   2.7720   44.459   3.6434   46.840   4.2715  1295.72   54.693  1323.85   62.758 -28.13049 83.24587 
1 1 1   11   38    7 o  576.489   38.487   8.7162   1.0879   8.5094   1.3433   9.1105   1.8547  569.139   45.907  583.839   61.787 -14.70007 76.97490 
1 1 1   11   38    9 o  360.325   38.081   3.4356   0.6559   2.1656   0.8696   5.1111   0.9988  279.366   62.148  441.284   44.026 -161.9182 76.16221 
1 1 1   11   38   11 o  536.043   30.174   7.5168   0.8288   8.4246   1.2057   6.7036   1.1411  566.961   41.364  505.126   43.941 61.83508 60.34706 
1 1 1   11   38   13 o  426.554   41.859   3.8169   0.7847   2.9748   0.8751   7.2711   1.7723  334.979   50.814  518.128   66.534 -183.1492 83.71891 
1 1 1   11   38   15 o  1168.68   39.823   35.843   2.2816   38.933   3.9222   34.262   2.8050  1199.68   63.591  1137.68   47.956 62.00146 79.64651 
1 1 1   11   38   17 o  361.765   44.271   3.6774   0.7860   4.2299   1.0631   3.0115   1.1672  398.250   51.923  325.281   71.720 72.96927 88.54263 
1 1 1   11   38   19 o  208.436   39.375   1.1985   0.4452   1.6323   0.6351   0.7797   0.6241  242.739   52.425  174.132   58.764 68.60712 78.74998 
1 1 1   11   38   21 o  607.708   34.188   9.8589   1.0661   9.1375   1.5030   10.589   1.5123  584.546   50.013  630.870   46.626 -46.32373 68.37535 
1 1 1   11   38   23 o  803.602   33.735   17.246   1.3934   16.746   1.9501   17.767   1.9918  791.576   47.918  815.629   47.499 -24.05273 67.47044 
1 1 1   11   38   25 o  761.226   34.344   15.657   1.3290   18.106   1.8701   13.158   1.8890  824.596   44.113  697.855   52.650 126.7408 68.68753 
1 1 1   11   38   27 o  441.951   34.120   5.2708   0.7716   5.7675   1.0831   4.7589   1.0996  464.298   45.374  419.603   50.971 44.69583 68.24067 
1 1 1   11   38   29 o  397.467   92.171   4.9423   1.8469   0.0000   0.0000   4.9423   1.8469  ?   ?   397.467   92.171      ?      ? 
1 1 1   11   38   31 o  284.327   45.955   2.4428   0.6435   2.6909   0.7879   1.9455   1.1153  314.708   48.694  253.947   77.951 60.76074 91.90998 
1 1 1   11   38   33 o  281.445   40.407   2.3201   0.5646   2.6629   0.7456   1.8594   0.8644  312.914   46.344  249.977   66.206 62.93706 80.81451 
1 1 1   11   38   35 o  444.915   37.293   5.5688   0.8428   6.0181   1.1440   5.0354   1.2464  467.983   47.547  421.846   57.467 46.13678 74.58679 
1 1 1   11   38   37 o  148.793   36.416   0.5875   0.3429   0.6922   0.4628   0.4601   0.5106  157.430   50.484  140.155   52.496 17.27510 72.83190 
1 1 1   11   38   39 o  173.826   39.090   0.8344   0.4083   1.2420   0.6060   0.4954   0.5526  203.694   56.089  143.958   54.463 59.73686 78.18002 
1 1 1   11   39    0 o  549.127   58.214   8.4942   1.5256   8.3759   2.0536   8.6399   2.2789  547.339   77.448  550.915   86.933 -0.000000 0.000000 
1 1 1   11   39    2 o  232.833   42.422   1.4763   0.5201   1.9561   0.7656   1.0653   0.7087  266.246   57.605  199.419   62.292 66.82758 84.84474 
1 1 1   11   39    4 f  150.151   36.558   0.4776   0.3632   0.8642   0.5316   0.1391   0.4974  179.214   53.569  121.088   49.763 58.12616 73.11605 
1 1 1   11   39    6 o  174.595   37.392   0.7617   0.3735   0.4730   0.4920   1.1544   0.5738  144.371   51.948  204.820   53.795 -60.44905 74.78328 
1 1 1   11   39    8 o  293.483   33.818   2.3106   0.4964   2.2396   0.7326   2.3708   0.6750  286.670   51.605  300.297   43.721 -13.62711 67.63573 
1 1 1   11   39   10 o  410.453   31.633   4.4407   0.6671   4.3563   0.9546   4.5212   0.9326  406.427   45.685  414.479   43.765 -8.052887 63.26515 
1 1 1   11   39   12 o  790.642   39.714   16.868   1.5984   18.129   2.1732   15.381   2.3591  825.770   51.187  755.515   60.736 70.25519 79.42887 
1 1 1   11   39   14 o  593.768   35.656   9.4246   1.0820   8.8801   1.5884   9.8959   1.4779  576.383   53.601  611.154   47.035 -34.77112 71.31177 
1 1 1   11   39   16 o  969.743   34.903   25.211   1.7268   22.373   2.4881   27.848   2.3985  914.203   52.937  1025.28   45.502 -111.0810 69.80511 
1 1 1   11   39   18 o  332.446   40.446   3.0365   0.6737   2.8487   0.9718   3.2102   0.9348  318.944   61.491  345.948   52.559 -27.00424 80.89266 
1 1 1   11   39   20 o  570.529   35.586   8.7356   1.0421   8.3938   1.4965   9.0572   1.4519  558.854   52.085  582.203   48.505 -23.34869 71.17295 
1 1 1   11   39   22 o  446.046   34.978   5.3468   0.8005   5.0966   1.1486   5.5830   1.1164  435.165   51.339  456.927   47.521 -21.76141 69.95670 
1 1 1   11   39   24 o  616.779   34.050   10.209   1.0794   10.501   1.5293   9.9196   1.5239  625.897   47.525  607.662   48.777 18.23499 68.10092 
1 1 1   11   39   26 o  396.094   37.394   4.3304   0.7125   2.9710   0.9795   5.8583   1.0385  323.591   61.117  468.597   43.104 -145.0056 74.78809 
1 1 1   11   39   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   39   30 o  487.095   35.041   6.4298   0.8747   5.8108   1.1888   7.1606   1.2916  461.367   50.116  512.823   48.988 -51.45575 70.08185 
1 1 1   11   39   32 o  377.516   42.727   3.9478   0.7597   2.0695   0.9891   6.6495   1.1862  261.087   71.557  493.945   46.711 -232.8589 85.45351 
1 1 1   11   39   34 o  160.339   40.390   0.5858   0.4151   0.3470   0.5210   1.0010   0.6868  133.445   52.248  187.234   61.608 -53.78900 80.77957 
1 1 1   11   39   36 o  311.718   39.757   2.7057   0.6119   1.9778   0.7932   3.7752   0.9616  256.666   61.009  366.771   50.995 -110.1049 79.51453 
1 1 1   11   39   38 o  179.965   37.303   0.9521   0.3677   0.9115   0.5185   0.9932   0.5214  176.345   52.944  183.586   52.564 -7.240707 74.60648 
1 1 1   11   40    1 o  1014.82   36.924   27.351   1.9244   29.118   2.7525   25.661   2.6915  1047.56   51.107  982.072   53.306 65.49213 73.84772 
1 1 1   11   40    3 o  1039.00   37.024   28.587   1.9660   33.156   2.8701   24.547   2.6984  1118.50   49.910  959.495   54.701 159.0042 74.04868 
1 1 1   11   40    5 o  220.611   39.571   1.3586   0.4477   1.4375   0.5919   1.2530   0.6846  228.366   51.625  212.857   59.985 15.50865 79.14159 
1 1 1   11   40    7 o  249.615   37.171   1.6909   0.4720   2.1378   0.6822   1.2807   0.6536  284.374   46.661  214.856   57.874 69.51781 74.34171 
1 1 1   11   40    9 o  458.257   43.578   6.0749   0.9234   7.0446   1.1788   4.5350   1.4854  516.658   44.377  399.857   75.013 116.8009 87.15650 
1 1 1   11   40   11 o  822.632   38.854   18.097   1.6394   17.564   2.2311   18.722   2.4171  810.344   53.552  834.919   56.309 -24.57404 77.70796 
1 1 1   11   40   13 o  229.799   36.266   1.4697   0.4180   1.3076   0.6045   1.6182   0.5785  216.725   54.348  242.874   48.034 -26.14909 72.53240 
1 1 1   11   40   15 o  336.898   40.568   3.1851   0.6670   2.3121   0.9550   4.0167   0.9320  285.065   66.394  388.731   46.635 -103.6661 81.13611 
1 1 1   11   40   17 o  352.879   41.784   3.4775   0.7275   3.0549   1.0842   3.8235   0.9811  327.971   66.576  377.787   50.512 -49.81583 83.56897 
1 1 1   11   40   19 o  344.177   39.562   3.2680   0.6617   4.4378   0.9680   2.2415   0.9067  407.986   46.147  280.367   64.274 127.6185 79.12444 
1 1 1   11   40   21 o  354.796   37.106   3.3957   0.6762   3.1949   0.9400   3.6111   0.9734  343.700   53.196  365.892   51.745 -22.19180 74.21136 
1 1 1   11   40   23 o  193.738   39.425   1.0596   0.4169   0.8885   0.6275   1.1948   0.5578  181.231   58.853  206.244   52.476 -25.01331 78.85058 
1 1 1   11   40   25 o  543.339   55.692   9.4295   1.2572   6.8144   2.3375   10.494   1.4913  461.756  101.251  624.922   46.416 -163.1653 111.3835 
1 1 1   11   40   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   40   29 o  390.141   40.796   4.4420   0.7532   5.8150   1.0449   2.9567   1.0867  464.444   43.758  315.837   68.865 148.6073 81.59130 
1 1 1   11   40   31 o  866.951   34.318   20.548   1.5231   18.105   2.0988   23.265   2.2136  810.593   50.363  923.308   46.633 -112.7153 68.63682 
1 1 1   11   40   33 o  296.794   41.024   2.5099   0.6112   1.9526   0.8221   3.1986   0.9139  255.388   63.002  338.199   52.559 -82.81140 82.04727 
1 1 1   11   40   35 o  537.016   35.884   8.1040   0.9840   8.1420   1.3221   8.0568   1.4734  541.240   47.511  532.791   53.789 8.449402 71.76730 
1 1 1   11   40   37 o  287.905   40.030   2.4781   0.5718   2.6727   0.7567   2.2192   0.8729  308.293   47.742  267.517   64.267 40.77676 80.05924 
1 1 1   11   41    0 o  319.693   72.835   3.3917   1.0473   4.0977   1.6524   2.9175   1.3541  351.269  105.054  288.118  100.914 0.000000 0.000000 
1 1 1   11   41    2 o  350.673   40.655   3.2992   0.7317   3.4020   1.0730   3.2099   1.0003  355.440   58.714  345.906   56.248 9.533447 81.30915 
1 1 1   11   41    4 o  188.462   41.325   0.9608   0.4405   0.9279   0.6647   0.9865   0.5881  186.973   60.559  189.951   56.245 -2.978226 82.64917 
1 1 1   11   41    6 o  407.414   47.347   4.2183   0.8236   3.8888   0.9328   5.3838   1.7541  382.858   47.389  431.970   81.983 -49.11237 94.69357 
1 1 1   11   41    8 o  686.233   40.061   12.740   1.4047   13.522   1.9267   11.852   2.0523  710.913   52.714  661.553   60.339 49.35944 80.12202 
1 1 1   11   41   10 f  830.222   33.072   17.627   1.3803   21.715   2.2613   15.200   1.7427  902.940   48.711  757.503   44.746 145.4375 66.14392 
1 1 1   11   41   12 o  581.939   31.293   9.0571   0.9270   8.0374   1.3528   9.9596   1.2727  549.274   47.904  614.603   40.277 -65.32855 62.58630 
1 1 1   11   41   14 o  423.575   41.889   5.1238   0.8301   3.1732   1.1804   7.0318   1.1675  332.355   71.224  514.795   44.111 -182.4398 83.77732 
1 1 1   11   41   16 o  779.216   35.120   16.234   1.4050   17.077   2.0546   15.494   1.9256  797.893   50.087  760.539   49.245 37.35394 70.24091 
1 1 1   11   41   18 o  219.958   40.311   1.2867   0.4874   2.1005   0.7382   0.6579   0.6489  274.437   54.242  165.479   59.648 108.9583 80.62247 
1 1 1   11   41   20 o  592.868   36.206   9.5428   1.0954   8.4370   1.5704   10.591   1.5288  557.144   54.823  628.593   47.306 -71.44891 72.41203 
1 1 1   11   41   22 o  536.691   35.920   7.8014   0.9894   7.3329   1.4041   8.2633   1.3944  519.735   52.546  553.648   48.988 -33.91266 71.83904 
1 1 1   11   41   24 o  250.244   50.974   1.5942   0.5992   2.4276   1.2891   1.3644   0.6768  282.089   83.200  218.400   58.918 63.68884 101.9488 
1 1 1   11   41   26 o  440.659   66.409   5.5167   1.5045   5.5167   1.5045   0.0000   0.0000  440.659   66.409  ?   ?       ?      ? 
1 1 1   11   41   28 o  468.149   35.996   6.0185   0.8612   5.2279   1.2005   6.8569   1.2362  434.772   53.706  501.527   47.942 -66.75485 71.99146 
1 1 1   11   41   30 o  701.260   35.363   13.551   1.2626   11.278   1.7470   16.037   1.8269  636.387   53.395  766.133   46.380 -129.7458 70.72588 
1 1 1   11   41   32 o  288.236   39.579   2.4049   0.5715   2.6026   0.7817   2.1778   0.8377  306.091   49.672  270.380   61.633 35.71127 79.15739 
1 1 1   11   41   34 o  430.304   37.675   5.2143   0.8293   4.8342   1.1068   5.7008   1.2521  413.494   52.064  447.113   54.469 -33.61923 75.34989 
1 1 1   11   41   36 o  322.689   41.728   3.0644   0.6715   2.4399   0.9043   3.8319   1.0025  280.593   64.090  364.786   53.454 -84.19324 83.45579 
1 1 1   11   42    1 o  519.989   59.172   8.6459   1.3242   10.053   1.6070   5.6688   2.3374  613.389   50.958  426.590  106.812 186.7986 118.3449 
1 1 1   11   42    3 f  515.571   48.569   6.7348   1.2113   5.6911   1.4459   9.1916   2.2183  457.484   61.473  573.657   75.213 -116.1737 97.13885 
1 1 1   11   42    5 o  439.732   47.819   4.9716   1.0234   4.2999   1.2314   6.4712   1.8400  397.951   60.189  481.512   74.324 -83.56061 95.63852 
1 1 1   11   42    7 o  417.822   38.894   4.7260   0.8305   4.3994   1.2124   5.0147   1.1400  402.890   58.530  432.754   51.237 -29.86417 77.78801 
1 1 1   11   42    9 o  350.338   43.442   3.8141   0.6961   2.1630   1.1273   4.8316   0.8849  272.746   77.012  427.931   40.223 -155.1850 86.88363 
1 1 1   11   42   11 o  401.429   37.061   4.3797   0.7379   4.1407   1.1918   4.5283   0.9397  389.907   59.455  412.952   44.262 -23.04480 74.12180 
1 1 1   11   42   13 o  201.754   38.382   1.2024   0.4323   0.5739   0.6999   1.5901   0.5497  162.871   61.368  240.638   46.114 -77.76726 76.76315 
1 1 1   11   42   15 o  637.276   36.821   10.890   1.2019   12.273   1.7695   9.7053   1.6377  675.255   50.971  599.298   53.152 75.95685 73.64217 
1 1 1   11   42   17 o  522.408   36.076   7.3468   0.9677   7.6302   1.4123   7.0960   1.3286  531.568   51.678  513.248   50.351 18.31952 72.15143 
1 1 1   11   42   19 o  851.667   35.859   19.551   1.5676   21.127   2.2759   18.127   2.1624  884.811   50.030  818.523   51.385 66.28845 71.71766 
1 1 1   11   42   21 o  449.419   36.184   5.4627   0.8332   6.1160   1.2117   4.8767   1.1476  475.562   49.558  423.275   52.736 52.28711 72.36739 
1 1 1   11   42   23 o  281.637   55.893   2.4545   0.8275   2.1190   1.4374   2.6209   1.0120  264.049   89.180  299.225   67.403 -35.17587 111.7864 
1 1 1   11   42   25 o  197.483   49.006   0.9888   0.6892   1.6511   0.8906   0.0000   1.0882  236.240   69.007  158.726   69.601 77.51350 98.01190 
1 1 1   11   42   27 o  721.897   34.957   14.280   1.2968   13.681   1.8088   14.914   1.8601  705.956   49.836  737.838   49.035 -31.88171 69.91478 
1 1 1   11   42   29 f  369.946   37.816   3.8312   0.7164   3.4861   1.0172   4.1709   1.0091  351.818   56.234  388.074   50.577 -36.25580 75.63275 
1 1 1   11   42   31 o  485.479   38.559   6.8284   0.9235   8.5836   1.2818   4.9343   1.3316  559.438   44.566  411.521   62.937 147.9168 77.11845 
1 1 1   11   42   33 o  184.604   34.141   0.8945   0.4036   0.0000   0.5655   1.8230   0.5762  115.915   50.518  253.292   45.938 -137.3771 68.28152 
1 1 1   11   42   35 o  430.490   38.099   5.3600   0.8417   5.3516   1.1582   5.3693   1.2255  431.609   52.194  429.370   55.514 2.239288 76.19706 
1 1 1   11   43    0 f   98.815   64.058   0.0000   0.7722   0.0000   0.7722   0.0000   0.0000   98.815   64.058   98.815   64.058 0.000000 0.000000 
1 1 1   11   43    2 o  419.781   63.377   5.3006   1.3466   6.0486   1.8276   4.4122   1.9917  462.939   76.785  376.624  100.848 86.31464 126.7532 
1 1 1   11   43    4 o  514.131   46.726   7.0014   1.1648   8.1992   2.0759   6.4509   1.4073  540.018   74.770  488.245   56.062 51.77277 93.45299 
1 1 1   11   43    6 f  272.597   47.858   2.3653   0.7205   0.8782   1.2719   3.0678   0.8743  206.937   81.450  338.256   50.273 -131.3188 95.71513 
1 1 1   11   43    8 o  204.348   45.246   0.9529   0.4765   1.7060   0.9601   0.7068   0.5489  243.779   71.774  164.917   55.110 78.86247 90.49123 
1 1 1   11   43   10 f  229.504   41.702   1.4266   0.4880   1.8553   0.7869   1.1586   0.6221  255.646   60.762  203.361   57.134 52.28564 83.40424 
1 1 1   11   43   12 o  493.432   31.882   6.4905   0.8082   6.5363   1.1665   6.4481   1.1209  494.804   45.853  492.059   44.309 2.744751 63.76382 
1 1 1   11   43   14 o  258.791   36.824   1.9103   0.4773   1.2548   0.6936   2.4998   0.6577  210.764   60.707  306.817   41.697 -96.05267 73.64809 
1 1 1   11   43   16 o  185.646   39.883   0.9546   0.4139   0.9594   0.5684   0.9492   0.6039  185.819   55.355  185.473   57.433 0.3455505 79.76677 
1 1 1   11   43   18 o  394.381   40.866   4.3982   0.7891   3.6406   1.1630   5.0445   1.0741  356.182   65.935  432.581   48.296 -76.39877 81.73106 
1 1 1   11   43   20 f  352.641   50.572   2.9782   0.7828   5.3418   1.6611   2.3034   0.8875  422.762   79.338  282.520   62.736 140.2419 101.1449 
1 1 1   11   43   22 o  229.216   46.278   1.2002   0.5881   2.6565   1.0464   0.5280   0.7110  299.657   69.304  158.775   61.348 140.8827 92.55641 
1 1 1   11   43   24 o  723.574   52.200   14.261   1.8698   11.127   2.3035   20.314   3.2012  616.927   72.625  830.220   74.999 -213.2928 104.3995 
1 1 1   11   43   26 o  487.456   35.928   6.5559   0.9000   6.8380   1.2829   6.2827   1.2628  498.251   50.082  476.661   51.528 21.58917 71.85661 
1 1 1   11   43   28 f  178.954   37.537   0.8883   0.3994   1.3497   0.5631   0.4212   0.5666  216.421   51.378  141.487   54.739 74.93399 75.07331 
1 1 1   11   43   30 o  208.042   39.791   1.2710   0.4759   0.5908   0.6789   1.9280   0.6672  157.797   60.205  258.288   52.044 -100.4915 79.58157 
1 1 1   11   43   32 o  362.888   38.315   3.7782   0.7125   4.1079   1.0098   3.4514   1.0055  380.394   51.633  345.382   56.624 35.01218 76.63042 
1 1 1   11   43   34 o  569.464   37.248   9.3252   1.0874   8.4393   1.4908   10.333   1.5896  539.379   53.759  599.548   51.570 -60.16949 74.49523 
1 1 1   11   44    1 o  192.978   51.405   0.6643   0.7337   0.0000   0.9853   1.4914   1.0994  154.385   66.984  231.571   77.994 -77.18549 102.8104 
1 1 1   11   44    3 o  251.746   57.842   1.7796   0.9072   0.9444   1.3124   2.5439   1.2554  210.787   82.808  292.704   80.782 -81.91707 115.6844 
1 1 1   11   44    5 o  499.721   59.366   7.9499   1.2876   8.9193   1.5472   5.7657   2.3225  574.931   52.342  424.511  106.571 150.4206 118.7310 
1 1 1   11   44    7 o  275.375   41.863   2.1625   0.5919   1.4074   0.8457   2.8877   0.8287  222.805   67.780  327.944   49.151 -105.1390 83.72564 
1 1 1   11   44    9 o  198.752   41.905   1.1109   0.4555   1.0036   0.7415   1.1759   0.5773  192.871   64.041  204.633   54.062 -11.76262 83.80925 
1 1 1   11   44   11 o  466.466   38.085   5.8907   0.9121   6.2626   1.3319   5.5622   1.2516  480.257   53.941  452.676   53.779 27.58096 76.16981 
1 1 1   11   44   13 o  207.786   38.626   1.2452   0.4684   0.4084   0.7029   1.9138   0.6283  152.387   60.366  263.185   48.207 -110.7984 77.25283 
1 1 1   11   44   15 o  291.787   42.460   2.5535   0.6347   1.2469   0.9284   3.7004   0.8698  212.142   71.671  371.431   45.548 -159.2886 84.92008 
1 1 1   11   44   17 o  468.296   51.198   6.0539   1.0706   7.0256   2.0783   5.7029   1.2491  479.613   87.511  456.978   53.167 22.63437 102.3959 
1 1 1   11   44   19 o  231.279   66.019   1.5622   0.8238   0.0000   0.0000   1.5622   0.8238  ?   ?   231.279   66.019      ?      ? 
1 1 1   11   44   21 o  147.045   38.406   0.4486   0.4135   0.0000   0.6246   0.7987   0.5518  123.446   53.446  170.644   55.168 -47.19771 76.81152 
1 1 1   11   44   23 f  460.679   60.786   6.7726   1.3363   7.2519   1.6865   5.9641   2.1906  502.656   65.260  418.701  102.571 83.95560 121.5720 
1 1 1   11   44   25 o  380.924   37.644   4.0459   0.7365   4.0345   1.0628   4.0565   1.0217  379.729   54.440  382.120   52.004 -2.391357 75.28734 
1 1 1   11   44   27 o  133.473   35.847   0.3614   0.3375   0.5547   0.5276   0.2276   0.4391  148.571   53.752  118.376   47.442 30.19435 71.69385 
1 1 1   11   44   29 o  262.343   43.562   2.0734   0.5796   2.3752   0.8332   1.7905   0.8067  282.577   59.242  242.109   63.881 40.46776 87.12348 
1 1 1   11   44   31 o  429.791   38.670   5.3308   0.8522   5.7313   1.2049   4.9300   1.2054  447.935   52.319  411.647   56.957 36.28763 77.33952 
1 1 1   11   44   33 o  446.442   44.297   6.3359   0.8963   8.8682   1.2480   3.6384   1.2881  563.812   43.055  329.073   77.427 234.7395 88.59305 
1 1 1   11   45    0 o  771.179   57.874   16.545   2.2182   18.686   3.3499   14.873   2.9601  816.408   81.685  725.951   82.007 0.000000 0.000000 
1 1 1   11   45    2 o  325.649   44.036   2.9817   0.7074   3.2750   1.0637   2.7492   0.9472  339.792   63.215  311.507   61.325 28.28445 88.07292 
1 1 1   11   45    4 o  285.981   66.662   2.3613   0.9620   2.3613   0.9620   0.0000   0.0000  285.981   66.662  ?   ?       ?      ? 
1 1 1   11   45    6 o  293.912   61.113   2.4560   0.8934   2.4560   0.8934   0.0000   0.0000  293.912   61.113  ?   ?       ?      ? 
1 1 1   11   45    8 o  448.505   47.133   5.4010   1.0868   5.4010   1.0868   0.0000   0.0000  448.505   47.133  ?   ?       ?      ? 
1 1 1   11   45   10 o  209.707   48.981   1.1893   0.5448   1.2062   0.6118   1.1244   1.1978  206.473   56.149  212.940   80.274 -6.466339 97.96276 
1 1 1   11   45   12 o  276.323   40.752   1.9212   0.5725   1.0514   0.7144   3.4819   0.9569  194.782   62.750  357.863   52.012 -163.0808 81.50307 
1 1 1   11   45   14 o  695.414   43.657   13.487   1.5609   13.531   2.2133   13.442   2.2015  696.499   61.810  694.329   61.671 2.170044 87.31419 
1 1 1   11   45   16 o  420.731   63.578   4.9822   1.3753   4.9822   1.3753   0.0000   0.0000  420.731   63.578  ?   ?       ?      ? 
1 1 1   11   45   18 o  342.361   45.915   3.4170   0.7834   3.8589   1.0745   2.9155   1.1447  373.103   56.016  311.619   72.767 61.48322 91.82997 
1 1 1   11   45   20 o  256.718   56.994   1.8013   0.8432   1.0883   1.0544   3.0666   1.4046  203.005   75.553  310.432   85.353 -107.4272 113.9881 
1 1 1   11   45   22 o  334.139   62.048   3.6115   1.0557   3.5723   1.3249   3.6795   1.7473  339.355   77.623  328.922   96.823 10.43246 124.0968 
1 1 1   11   45   24 o  279.696   46.464   2.4573   0.6675   1.7611   1.0922   2.8722   0.8433  237.993   77.662  321.398   51.032 -83.40430 92.92811 
1 1 1   11   45   26 o  468.468   43.670   6.2161   1.0170   7.0503   1.7017   5.7527   1.2684  486.492   68.034  450.444   54.770 36.04810 87.34058 
1 1 1   11   45   28 o  225.750   46.195   1.5319   0.5531   1.7734   0.9061   1.3884   0.6984  237.340   69.682  214.161   60.666 23.17889 92.39035 
1 1 1   11   45   30 o  263.191   44.277   2.2628   0.6506   1.0768   0.9875   3.1725   0.8649  192.568   72.817  333.815   50.395 -141.2469 88.55488 
1 1 1   11   46    1 o  493.566   55.388   7.0476   1.4040   7.4936   2.0227   6.6329   1.9505  509.390   77.234  477.742   79.413 31.64774 110.7764 
1 1 1   11   46    3 o  502.765   46.672   7.2203   1.1610   7.7237   1.4952   6.4561   1.8424  531.826   54.685  473.705   75.647 58.12030 93.34330 
1 1 1   11   46    5 o  422.565   47.344   4.8874   0.9900   4.0900   1.2629   6.1586   1.5945  376.857   67.669  468.273   66.232 -91.41605 94.68758 
1 1 1   11   46    7 o  416.147   36.565   4.5986   0.7659   3.4680   1.0105   6.1248   1.1740  355.806   55.238  476.489   47.924 -120.6837 73.12942 
1 1 1   11   46    9 o  494.741   36.327   6.6950   0.9172   7.0784   1.2507   6.2488   1.3492  512.131   47.501  477.351   54.976 34.77930 72.65487 
1 1 1   11   46   11 o  462.843   38.882   5.7793   0.8858   6.2742   1.5065   5.5178   1.0952  473.733   61.854  451.953   47.132 21.77969 77.76495 
1 1 1   11   46   13 o  283.372   71.631   2.3979   1.0441   2.3979   1.0441   0.0000   0.0000  283.372   71.631  ?   ?       ?      ? 
1 1 1   11   46   15 o  333.246   48.070   3.0206   0.8236   3.0206   0.8236   0.0000   0.0000  333.246   48.070  ?   ?       ?      ? 
1 1 1   11   46   17 o  155.463   42.201   0.5531   0.4356   0.6830   0.4841   0.0000   0.9988  158.704   51.698  152.222   66.716 6.482010 84.40169 
1 1 1   11   46   19 o  729.208   68.316   17.286   2.5255   20.221   3.6073   14.465   3.5369  804.118   87.255  654.299  105.143 149.8197 136.6321 
1 1 1   11   46   21 o  274.778   52.573   2.4904   0.9606   4.0498   1.2250   0.0000   1.5481  368.686   67.099  180.871   80.953 187.8145 105.1457 
1 1 1   11   46   23 o  237.772   49.974   1.9174   0.7070   2.3665   0.8215   0.6345   1.3885  283.969   58.225  191.576   81.238 92.39259 99.94892 
1 1 1   11   46   25 o  181.600   49.416   0.8752   0.6032   1.0527   0.6615   0.0000   1.4691  189.217   60.324  173.983   78.286 15.23422 98.83181 
1 1 1   11   46   27 o  240.325   53.257   1.8305   0.6832   1.7931   0.7953   1.9357   1.3347  241.082   63.343  239.569   85.633 1.513367 106.5145 
1 1 1   11   46   29 o  178.366   45.229   0.9551   0.5565   1.2508   0.6368   0.0000   1.1446  202.391   58.134  154.341   69.305 48.04944 90.45872 
1 1 1   11   47    0 f  298.831  100.994   3.1766   1.3883   3.1766   1.3883   0.0000   0.0000  298.831  100.994  298.831  100.994 -0.000000 0.000000 
1 1 1   11   47    2 o  642.922   47.288   11.080   1.4969   13.994   2.6089   9.6504   1.8276  697.034   72.801  588.810   60.371 108.2241 94.57671 
1 1 1   11   47    4 o  346.723   51.915   3.4928   0.8483   3.6160   1.5375   3.4388   1.0171  340.193   87.433  353.253   56.000 -13.06042 103.8294 
1 1 1   11   47    6 o  320.434   53.477   2.9240   0.8888   4.5935   1.3966   1.7878   1.1522  395.750   71.263  245.118   79.756 150.6317 106.9549 
1 1 1   11   47    8 o  871.636   44.724   21.313   1.9918   20.603   2.6569   22.223   3.0096  858.760   60.177  884.513   66.180 -25.75403 89.44896 
1 1 1   11   47   10 o  1041.86   44.446   30.587   2.3758   29.902   3.2441   31.378   3.4890  1031.79   61.155  1051.93   64.513 -20.13232 88.89232 
1 1 1   11   47   12 o  329.372   44.527   2.9886   0.7028   2.5537   0.8693   3.8096   1.1943  298.063   58.815  360.682   66.868 -62.61960 89.05322 
1 1 1   11   47   14 o  588.036   38.558   10.111   1.0774   13.507   1.4774   6.2528   1.5747  709.293   40.514  466.778   65.617 242.5145 77.11694 
1 1 1   11   47   16 o  275.104   41.621   2.2207   0.5705   2.4649   0.7830   1.9445   0.8328  294.174   53.753  256.035   63.560 38.13913 83.24243 
1 1 1   11   47   18 f  804.620   67.699   22.585   2.1626   24.819   2.5425   16.738   4.1129  944.085   52.381  665.155  124.856 278.9295 135.3988 
1 1 1   11   47   20 o  415.663   48.087   5.2930   0.9417   4.5550   1.5354   5.7381   1.1923  377.735   81.457  453.591   51.127 -75.85580 96.17303 
1 1 1   11   47   22 o  407.191   38.287   4.6996   0.8004   4.4033   1.1235   5.0050   1.1406  393.137   55.585  421.245   52.667 -28.10791 76.57332 
1 1 1   11   47   24 o  158.499   39.213   0.6151   0.4084   0.2947   0.5443   1.0276   0.6177  130.468   52.634  186.531   58.140 -56.06224 78.42567 
1 1 1   11   47   26 o  378.870   40.588   4.2025   0.7896   4.0035   1.1188   4.4000   1.1147  368.595   59.037  389.145   55.715 -20.54959 81.17542 
1 1 1   11   48    1 o  444.864   59.013   6.0488   1.3173   5.7108   1.9083   6.3565   1.8208  425.125   90.110  464.602   76.226 -39.47708 118.0258 
1 1 1   11   48    3 o  201.626   48.216   1.1085   0.6416   0.4003   0.9788   1.6421   0.8496  167.413   69.401  235.839   66.952 -68.42569 96.43119 
1 1 1   11   48    5 o  1201.94   54.008   42.011   3.3009   47.398   5.1499   38.256   4.3004  1259.73   79.515  1144.14   73.107 115.5919 108.0151 
1 1 1   11   48    7 o  588.679   54.228   9.9545   1.6141   12.742   2.5415   8.0698   2.0897  657.075   75.231  520.283   78.123 136.7922 108.4570 
1 1 1   11   48    9 f  657.468   40.751   12.103   1.3659   12.125   2.0648   12.085   1.8213  654.392   61.371  660.545   53.631 -6.152832 81.50271 
1 1 1   11   48   11 o  712.667   38.372   14.134   1.3362   14.087   2.2558   14.159   1.6585  703.013   62.412  722.320   44.659 -19.30731 76.74463 
1 1 1   11   48   13 o  347.122   38.669   3.1684   0.6621   4.1186   1.1518   2.6992   0.8093  381.551   58.714  312.693   50.338 68.85797 77.33864 
1 1 1   11   48   15 o  347.368   62.017   3.6507   1.0417   3.0856   1.2463   4.9608   1.8976  313.238   77.750  381.498   96.640 -68.26004 124.0338 
1 1 1   11   48   17 o  481.996   57.335   6.6966   1.2335   6.0000   1.4290   8.7327   2.4432  456.405   60.900  507.587   97.162 -51.18207 114.6700 
1 1 1   11   48   19 o  579.541   39.558   9.2460   1.1455   8.2561   1.4325   11.002   1.9077  542.450   51.364  616.632   60.176 -74.18256 79.11666 
1 1 1   11   48   21 o  297.592   48.093   2.7271   0.7168   2.5548   0.9626   2.9416   1.0741  288.014   66.370  307.170   69.619 -19.15552 96.18616 
1 1 1   11   48   23 o  268.393   48.511   2.3656   0.6817   2.7348   0.8776   1.8040   1.0823  302.371   58.568  234.414   77.349 67.95647 97.02104 
1 1 1   11   48   25 o  419.386   39.941   5.1625   0.8594   5.5541   1.2252   4.7832   1.2059  436.793   54.557  401.979   58.350 34.81461 79.88264 
1 1 1   11   49    0 o  504.155   73.740   8.2054   1.6421   9.0191   2.1988   7.1795   2.4691  552.791   82.856  455.519  122.005 -0.000000 0.000000 
1 1 1   11   49    2 o  636.513   41.490   11.413   1.3394   13.773   1.9346   9.2408   1.8561  704.525   53.411  568.500   63.505 136.0253 82.97933 
1 1 1   11   49    4 o  383.086   44.065   4.2453   0.8413   3.7842   1.2064   4.6817   1.1737  356.958   68.226  409.214   55.788 -52.25562 88.13087 
1 1 1   11   49    6 o  159.283   42.323   0.6018   0.4812   0.0000   0.9025   0.8408   0.5688  144.949   63.476  173.618   55.998 -28.66856 84.64610 
1 1 1   11   49    8 o  315.228   56.716   3.2297   0.8900   2.8007   1.6061   3.4199   1.0692  289.019   94.170  341.436   63.236 -52.41666 113.4317 
1 1 1   11   49   10 o  668.930   35.910   12.313   1.2303   11.317   1.6557   13.541   1.8385  639.331   50.373  698.529   51.194 -59.19775 71.82053 
1 1 1   11   49   12 o  292.420   39.766   2.4782   0.5760   2.5474   0.8079   2.4067   0.8213  297.442   54.855  287.399   57.588 10.04337 79.53259 
1 1 1   11   49   14 o  191.507   45.090   1.0444   0.5641   1.5195   0.7419   0.3932   0.8686  225.137   62.085  157.877   65.405 67.25958 90.17950 
1 1 1   11   49   16 o  634.771   59.448   12.980   1.4271   12.243   3.1499   13.170   1.6009  577.844  110.045  691.699   45.016 -113.8550 118.8963 
1 1 1   11   49   18 o  283.574   45.212   2.1794   0.6187   3.5100   1.1068   1.5747   0.7461  339.617   65.763  227.531   62.063 112.0861 90.42473 
1 1 1   11   49   20 o  344.738   46.966   3.5179   0.7867   4.4450   1.2805   2.9559   0.9970  379.078   68.213  310.399   64.577 68.67966 93.93130 
1 1 1   11   49   22 o  180.221   48.628   0.8101   0.5393   1.1528   1.1719   0.7180   0.6075  199.160   78.248  161.281   57.758 37.87885 97.25563 
1 1 1   11   50    1 o  461.227   42.259   6.0725   1.0012   6.0052   1.4398   6.1354   1.3931  457.645   61.195  464.810   58.295 -7.165314 84.51739 
1 1 1   11   50    3 o  376.358   46.591   4.2858   0.8523   3.0056   1.2256   5.4845   1.1860  309.055   77.326  443.660   51.995 -134.6052 93.18156 
1 1 1   11   50    5 o  327.075   46.007   3.1526   0.7583   3.7672   1.0992   2.5945   1.0474  363.529   58.814  290.621   70.763 72.90814 92.01392 
1 1 1   11   50    7 o  566.485   41.477   9.1205   1.1926   11.090   1.7442   7.3911   1.6344  627.993   54.021  504.977   62.954 123.0168 82.95491 
1 1 1   11   50    9 o  674.107   37.501   13.003   1.2683   14.682   1.7088   10.943   1.8926  731.123   45.460  617.090   59.655 114.0331 75.00240 
1 1 1   11   50   11 o  188.506   42.246   1.0742   0.5049   1.4658   0.6192   0.2968   0.8724  223.673   54.372  153.340   64.674 70.33336 84.49286 
1 1 1   11   50   13 o  232.843   48.776   1.7536   0.6684   2.2474   0.8534   0.9699   1.0752  273.029   62.187  192.657   75.162 80.37178 97.55235 
1 1 1   11   50   15 o  300.356   39.035   2.6297   0.5841   2.1130   0.8182   3.1667   0.8341  264.205   61.406  336.508   48.212 -72.30295 78.07084 
1 1 1   11   50   17 o  631.022   33.939   11.122   1.0923   13.129   1.6015   9.3756   1.4935  686.859   45.351  575.185   50.505 111.6741 67.87847 
1 1 1   11   50   19 o  225.066   43.979   1.6275   0.5366   1.2085   0.8642   1.8904   0.6846  198.257   69.075  251.876   54.452 -53.61946 87.95701 
1 1 1   11   51    0 o  170.200   56.475   1.0613   0.7018   0.0000   1.0260   1.9946   0.9621  110.134   72.263  230.265   86.809 0.000000 0.000000 
1 1 1   11   51    2 o  281.422   49.749   2.4617   0.7207   2.1776   1.0133   2.7525   1.0252  263.176   72.550  299.668   68.090 -36.49283 99.49707 
1 1 1   11   51    4 o  149.152   39.457   0.5108   0.4169   0.7395   0.5910   0.2843   0.5882  164.611   57.137  133.693   54.431 30.91878 78.91346 
1 1 1   11   51    6 o  230.819   47.391   1.6317   0.6320   0.9620   0.9020   2.2775   0.8858  187.675   69.875  273.963   64.040 -86.28764 94.78174 
1 1 1   11   51    8 o  589.283   53.000   9.3616   1.4730   7.4159   1.7155   14.822   2.8740  498.046   66.997  680.521   82.144 -182.4741 106.0009 
1 1 1   11   51   10 o  589.424   70.429   13.522   1.7350   15.727   2.0847   8.5496   3.1298  741.665   54.671  437.183  129.816 304.4813 140.8583 
1 1 1   11   51   12 o  604.031   36.908   10.256   1.1277   11.084   1.7833   9.7041   1.4557  619.744   55.969  588.318   48.128 31.42615 73.81597 
1 1 1   11   51   14 o  246.923   40.671   1.8308   0.5151   1.3216   0.7098   2.3972   0.7486  207.637   61.858  286.209   52.821 -78.57207 81.34168 
1 1 1   11   51   16 o  834.927   37.315   19.949   1.5710   20.863   2.4888   19.344   2.0255  842.295   57.472  827.559   47.607 14.73560 74.62910 
1 1 1   11   52    1 o  411.738   42.923   4.9842   0.9047   5.3974   1.2708   4.5596   1.2882  431.920   57.225  391.556   63.990 40.36371 85.84529 
1 1 1   11   52    3 o  431.897   46.645   5.6832   0.9793   4.2884   1.3810   7.0941   1.3890  366.013   75.878  497.782   54.272 -131.7692 93.28975 
1 1 1   11   52    5 o  366.910   60.460   4.8439   1.0799   5.2586   1.2764   3.7997   2.0254  424.741   58.453  309.079  105.853 115.6621 120.9194 
1 1 1   11   52    7 o  370.013   61.226   5.2535   1.1693   6.1231   1.3994   3.2422   2.1282  456.604   59.613  283.421  106.962 173.1825 122.4521 
1 1 1   11   52    9 o  489.684   41.754   7.0048   1.0414   8.3372   1.5309   5.8570   1.4209  536.348   55.517  443.020   62.382 93.32867 83.50871 
1 1 1   11   52   11 o  290.186   42.807   2.4659   0.6281   1.8505   0.8229   3.3253   0.9724  242.754   64.742  337.618   56.020 -94.86401 85.61430 
1 1 1   11   52   13 o  353.537   42.517   3.5967   0.7395   4.8938   1.1903   2.7814   0.9437  407.722   56.785  299.352   63.294 108.3703 85.03319 
1 1 1   11   53    0 o  312.042  124.926   4.2583   1.9450   4.2583   1.9450   0.0000   0.0000  312.042  124.926  312.042  124.926 0.000000 0.000000 
1 1 1   11   53    2 o  247.253   60.563   2.0857   0.9864   2.9738   1.4138   1.2434   1.3768  287.825   87.655  206.682   83.593 81.14265 121.1251 
1 1 1   11   53    4 f  438.620   75.451   7.5605   1.7005   6.2912   2.3404   8.9799   2.4750  388.327  111.417  488.913  101.774 -100.5863 150.9029 
1 1 1   11   53    6 o  259.772   54.158   2.1459   0.7367   2.7744   1.2917   1.8428   0.8969  280.806   83.402  238.739   69.112 42.06709 108.3162 
1 1 1   11   53    8 o  268.082   54.999   2.4014   0.7725   2.6438   1.3449   2.2820   0.9436  270.330   85.994  265.834   68.588 4.495575 109.9971 
1 1 1   12    0    0 o   85.611   50.031   0.2219   0.3670   0.0000   0.0000   0.2219   0.3670   85.611   50.031   85.611   50.031 -0.000000 0.000000 
1 1 1   12    0    2 o  2183.24   66.397  123.447   7.4371   0.0000   0.0000  123.447   7.4371  2183.24   66.397  2183.24   66.397 0.000000 0.000000 
1 1 1   12    0    4 o  1079.30   46.654   30.656   2.5366   28.600   3.8039   32.303   3.4040  1044.58   71.602  1114.01   59.828 0.000000 0.000000 
1 1 1   12    0    6 o  999.246   42.570   26.080   2.1464   26.226   2.8459   25.889   3.2687  1003.62   55.544  994.870   64.528 -0.000000 0.000000 
1 1 1   12    0    8 o  348.077   68.603   3.4699   1.0919   3.4699   1.0919   0.0000   0.0000  348.077   68.603  348.077   68.603 0.000000 0.000000 
1 1 1   12    0   10 o  246.963   69.540   1.9066   0.7644   1.9066   0.7644   0.0000   0.0000  246.963   69.540  246.963   69.540 -0.000000 0.000000 
1 1 1   12    0   12 o  320.926   48.949   3.1010   0.6866   4.0036   0.9682   2.1877   0.9739  383.749   51.714  258.103   83.123 0.000000 0.000000 
1 1 1   12    0   14 o  898.291   39.016   21.084   1.7854   20.222   2.5050   21.973   2.5454  879.241   55.935  917.340   54.409 0.000000 0.000000 
1 1 1   12    0   16 o  809.887   39.532   17.223   1.6225   18.578   2.2815   15.837   2.3077  843.387   53.100  776.388   58.580 0.000000 0.000000 
1 1 1   12    0   18 o  362.252   45.320   3.6877   0.7650   3.7389   1.0792   3.6360   1.0844  365.477   63.071  359.026   65.097 0.000000 0.000000 
1 1 1   12    0   20 o  1222.86   39.568   38.805   2.4682   42.784   3.5327   35.010   3.4498  1284.94   53.689  1160.77   58.139 -0.000000 0.000000 
1 1 1   12    0   22 o   86.846   48.689   0.2600   0.3274   0.0000   0.0000   0.2600   0.3274   86.846   48.689   86.846   48.689 -0.000000 0.000000 
1 1 1   12    0   24 o  1743.18   39.643   78.588   3.5444   78.698   5.0379   78.480   4.9876  1744.34   56.308  1742.01   55.819 -0.000000 0.000000 
1 1 1   12    0   26 o  1028.11   40.444   27.588   2.1153   25.261   3.0063   29.870   2.9770  984.029   59.931  1072.19   54.324 -0.000000 0.000000 
1 1 1   12    0   28 o  1379.32   40.315   49.423   2.8420   46.108   4.0320   52.696   4.0066  1332.59   59.115  1426.05   54.832 -0.000000 0.000000 
1 1 1   12    0   30 o  1128.21   40.782   33.183   2.3457   30.748   3.3258   35.593   3.3088  1086.07   59.980  1170.34   55.272 -0.000000 0.000000 
1 1 1   12    0   32 o  1279.17   40.891   42.645   2.6673   38.705   3.7738   46.577   3.7703  1218.94   60.560  1339.39   54.962 -0.000000 0.000000 
1 1 1   12    0   34 o  1994.15   57.938  103.243   5.9287   0.0000   0.0000  103.243   5.9287  1994.15   57.938  1994.15   57.938 0.000000 0.000000 
1 1 1   12    0   36 o  1005.56   58.208   26.505   2.9862   0.0000   0.0000   26.505   2.9862  1005.56   58.208  1005.56   58.208 -0.000000 0.000000 
1 1 1   12    0   38 o  364.128   69.886   3.8102   1.1689   3.8102   1.1689   0.0000   0.0000  364.128   69.886  364.128   69.886 0.000000 0.000000 
1 1 1   12    0   40 o  218.913   78.099   1.6544   0.8020   0.0000   0.0000   1.6544   0.8020  218.913   78.099  218.913   78.099 -0.000000 0.000000 
1 1 1   12    0   42 o   66.119   42.645   0.0000   0.3364   0.0000   0.3364   0.0000   0.0000   66.119   42.645   66.119   42.645 0.000000 0.000000 
1 1 1   12    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    0   46 o   50.833   32.776   0.0000   0.1985   0.0000   0.0000   0.0000   0.1985   50.833   32.776   50.833   32.776 -0.000000 0.000000 
1 1 1   12    0   48 o  710.807   43.449   13.360   1.5742   13.360   1.5742   0.0000   0.0000  710.807   43.449  710.807   43.449 0.000000 0.000000 
1 1 1   12    0   50 o  554.744   44.803   8.2329   1.2587   0.0000   0.0000   8.2329   1.2587  554.744   44.803  554.744   44.803 -0.000000 0.000000 
1 1 1   12    0   52 o   91.091   50.054   0.3097   0.3381   0.3097   0.3381   0.0000   0.0000   91.091   50.054   91.091   50.054 0.000000 0.000000 
1 1 1   12    0   54 f   97.154   55.589   0.3377   0.4385   0.3377   0.4385   0.0000   0.0000   97.154   55.589   97.154   55.589 0.000000 0.000000 
1 1 1   12    0   56 o  111.904   52.542   0.4929   0.3393   0.0000   0.0000   0.4929   0.3393  111.904   52.542  111.904   52.542 -0.000000 0.000000 
1 1 1   12    1    1 o  888.056   48.144   20.493   2.1951   19.276   3.1064   21.707   3.1021  861.433   70.141  914.680   65.966 -53.24725 96.28732 
1 1 1   12    1    3 o  598.131   39.600   9.3270   1.1635   9.4945   1.4531   9.0277   1.9421  606.296   46.615  589.966   64.028 16.32996 79.19975 
1 1 1   12    1    5 o  299.552   36.610   2.3401   0.5365   2.2746   0.6822   2.4462   0.8685  296.772   44.714  302.332   57.982 -5.559265 73.22089 
1 1 1   12    1    7 o  788.553   40.235   16.217   1.6167   15.243   2.4091   17.015   2.1807  766.371   61.142  810.735   52.318 -44.36377 80.47063 
1 1 1   12    1    9 o  1080.46   38.341   30.143   2.1298   30.143   2.1298   0.0000   0.0000  1080.46   38.341  ?   ?       ?      ? 
1 1 1   12    1   11 o  1710.71   32.623   74.290   2.7348   80.716   4.7166   71.036   3.3567  1763.60   52.019  1657.81   39.382 105.7916 65.24502 
1 1 1   12    1   13 o  882.926   27.101   20.150   1.2300   20.612   1.7416   19.691   1.7374  893.072   37.930  872.780   38.720 20.29218 54.20259 
1 1 1   12    1   15 o  432.161   27.480   4.8290   0.6096   5.1569   0.8643   4.5044   0.8600  446.840   37.621  417.483   40.065 29.35736 54.95953 
1 1 1   12    1   17 o  258.293   28.118   1.7220   0.3733   1.6805   0.5254   1.7644   0.5306  255.140   40.051  261.445   39.477 -6.304337 56.23679 
1 1 1   12    1   19 o  758.599   27.632   14.842   1.0774   15.306   1.5274   14.383   1.5198  770.427   38.561  746.771   39.586 23.65631 55.26338 
1 1 1   12    1   21 o  1445.75   34.060   54.255   2.3833   53.094   4.1154   54.841   2.9234  1432.96   55.861  1458.53   38.986 -25.56628 68.12002 
1 1 1   12    1   23 o  1609.72   56.076   67.001   4.6409   67.001   4.6409   0.0000   0.0000  1609.72   56.076  ?   ?       ?      ? 
1 1 1   12    1   25 o  641.232   28.194   10.604   0.9293   10.923   1.3189   10.289   1.3095  650.844   39.415  631.619   40.326 19.22607 56.38876 
1 1 1   12    1   27 o  1282.20   28.192   42.415   1.8579   41.129   2.6201   43.715   2.6351  1262.60   40.362  1301.80   39.371 -39.19812 56.38415 
1 1 1   12    1   29 o  1500.99   28.354   58.167   2.1868   55.682   3.0847   60.678   3.1005  1468.64   40.853  1533.35   39.329 -64.71008 56.70801 
1 1 1   12    1   31 o  1223.43   28.567   38.692   1.7953   40.537   2.5378   36.844   2.5401  1252.80   39.401  1194.07   41.376 58.72217 57.13494 
1 1 1   12    1   33 o  627.600   41.388   10.337   1.3149   12.520   1.8736   8.2172   1.8459  694.220   52.494  560.979   64.002 133.2408 82.77567 
1 1 1   12    1   35 o  1198.15   41.032   37.526   2.5271   38.379   3.6133   36.709   3.5357  1211.47   58.012  1184.82   58.044 26.65625 82.06396 
1 1 1   12    1   37 o  267.572   39.922   2.3082   0.5463   3.1793   0.6752   0.6577   0.9294  350.077   37.515  185.066   70.481 165.0112 79.84328 
1 1 1   12    1   39 o  447.203   42.478   5.2848   0.9759   5.0423   1.3514   5.5490   1.4107  436.467   60.224  457.938   59.920 -21.47128 84.95515 
1 1 1   12    1   41 o  628.737   42.136   10.542   1.3575   11.596   1.9315   9.5130   1.9082  660.824   56.850  596.649   62.207 64.17487 84.27113 
1 1 1   12    1   43 o  518.866   43.312   7.2567   1.1491   6.3519   1.6090   8.1986   1.6416  484.496   64.596  553.235   57.715 -68.73911 86.62369 
1 1 1   12    1   45 o  249.642   44.315   1.7366   0.5854   1.1319   0.8044   2.4175   0.8537  204.714   66.642  294.569   58.431 -89.85538 88.63038 
1 1 1   12    1   47 o  379.468   37.525   3.7818   0.6935   3.5713   0.8446   4.2174   1.2147  366.269   44.854  392.668   60.171 -26.39914 75.04984 
1 1 1   12    1   49 o  260.241   33.080   1.8405   0.4334   1.9638   0.6261   1.7272   0.6005  270.919   44.947  249.563   48.547 21.35643 66.15946 
1 1 1   12    1   51 o  218.176   46.342   1.3798   0.5644   1.2198   0.8066   1.5332   0.7902  207.039   66.674  229.314   64.381 -22.27513 92.68392 
1 1 1   12    1   53 o  392.351   39.756   4.2187   0.7622   4.0022   0.9341   4.6503   1.3188  382.315   47.521  402.387   63.748 -20.07199 79.51121 
1 1 1   12    1   55 o  293.913   36.289   2.4515   0.5228   1.6825   0.7114   3.3546   0.7710  237.663   58.596  350.164   42.825 -112.5013 72.57713 
1 1 1   12    1   57 o  477.099   33.009   6.3998   0.8088   6.0279   1.1311   6.7891   1.1571  462.091   47.611  492.106   45.732 -30.01462 66.01714 
1 1 1   12    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    2    2 o  1137.19   65.164   33.551   3.8098   0.0000   0.0000   33.551   3.8098  ?   ?   1137.19   65.164      ?      ? 
1 1 1   12    2    4 o  574.770   44.151   8.5714   1.2875   8.5426   1.9863   8.5922   1.6907  573.524   67.364  576.016   57.090 -2.491760 88.30144 
1 1 1   12    2    6 o  975.186   40.520   24.684   2.0127   24.352   3.0501   24.940   2.6787  968.818   61.236  981.555   53.082 -12.73657 81.04005 
1 1 1   12    2    8 o  445.564   32.598   5.0344   0.7135   4.8117   0.8782   5.4671   1.2239  431.692   39.567  459.435   51.816 -27.74319 65.19556 
1 1 1   12    2   10 o  510.229   37.987   6.7243   0.9965   6.7243   0.9965   0.0000   0.0000  510.229   37.987  ?   ?       ?      ? 
1 1 1   12    2   12 o  930.250   33.305   22.410   1.5053   22.480   2.5946   22.375   1.8482  930.102   54.258  930.398   38.638 -0.2950439 66.60934 
1 1 1   12    2   14 o  120.410   26.262   0.3662   0.1825   0.4793   0.2607   0.2574   0.2557  134.125   36.727  106.695   37.550 27.42947 52.52473 
1 1 1   12    2   16 o  1387.72   33.754   49.976   2.2637   49.444   3.9304   50.240   2.7691  1380.57   55.375  1394.89   38.613 -14.31860 67.50809 
1 1 1   12    2   18 o  974.261   27.521   24.490   1.3780   23.719   1.9484   25.262   1.9493  958.862   39.522  989.661   38.311 -30.79877 55.04292 
1 1 1   12    2   20 o  1558.76   27.656   62.656   2.2154   64.895   3.1400   60.438   3.1261  1586.56   38.495  1530.97   39.717 55.59387 55.31112 
1 1 1   12    2   22 o  997.529   39.475   25.653   2.0245   25.653   2.0245   0.0000   0.0000  997.529   39.475  ?   ?       ?      ? 
1 1 1   12    2   24 o  200.918   36.218   1.0829   0.3594   1.0425   0.6319   1.1022   0.4370  198.962   58.130  202.873   43.218 -3.911545 72.43538 
1 1 1   12    2   26 o  1462.52   28.148   55.173   2.1164   55.759   2.9894   54.585   2.9965  1470.34   39.546  1454.71   40.066 15.62964 56.29509 
1 1 1   12    2   28 o  373.810   29.061   3.6108   0.5567   3.9819   0.7928   3.2500   0.7818  392.840   39.254  354.781   42.863 38.05966 58.12161 
1 1 1   12    2   30 o  339.474   35.490   2.9111   0.5948   2.7390   0.7347   3.2386   1.0135  325.543   43.896  353.405   55.780 -27.86145 70.98065 
1 1 1   12    2   32 o  969.013   40.270   24.400   2.0058   25.043   2.8410   23.762   2.8322  981.851   56.280  956.175   57.614 25.67596 80.54071 
1 1 1   12    2   34 o  772.615   58.377   15.580   2.3189   15.580   2.3189   0.0000   0.0000  772.615   58.377  ?   ?       ?      ? 
1 1 1   12    2   36 o  386.720   36.516   3.9141   0.6867   3.9351   0.8456   3.8735   1.1766  389.225   42.256  384.214   59.566 5.011322 73.03180 
1 1 1   12    2   38 o  439.814   34.773   4.7690   0.7546   4.0950   0.9226   6.1315   1.3117  396.153   45.297  483.476   52.772 -87.32346 69.54673 
1 1 1   12    2   40 o  185.867   37.179   0.8176   0.4409   1.6435   0.6251   0.0000   0.6219  245.583   51.166  126.151   53.955 119.4324 74.35819 
1 1 1   12    2   42 o  259.279   42.996   1.8085   0.6003   2.7201   0.8770   1.0048   0.8234  320.143   53.282  198.416   67.497 121.7267 85.99248 
1 1 1   12    2   44 o  757.510   59.509   15.481   2.3176   15.481   2.3176   0.0000   0.0000  757.510   59.509  ?   ?       ?      ? 
1 1 1   12    2   46 o  352.547   39.385   3.3405   0.6547   3.2223   0.7969   3.5857   1.1481  348.388   44.494  356.706   65.000 -8.318359 78.76991 
1 1 1   12    2   48 o  315.823   37.640   2.4135   0.5620   1.3230   0.6873   4.6134   0.9762  216.121   59.823  415.525   45.697 -199.4034 75.27959 
1 1 1   12    2   50 o  268.427   42.145   2.2587   0.5756   2.8660   0.7225   1.2040   0.9522  327.352   42.930  209.501   72.538 117.8505 84.28949 
1 1 1   12    2   52 o  268.035   34.964   2.0268   0.4625   2.7072   0.6620   1.3777   0.6466  317.725   40.524  218.346   56.988 99.37935 69.92736 
1 1 1   12    2   54 o  721.400   39.967   15.001   1.3849   13.817   2.3533   15.629   1.7129  686.089   66.714  756.711   44.028 -70.62219 79.93308 
1 1 1   12    2   56 o  453.898   34.820   5.8293   0.7769   3.9211   1.0690   7.9660   1.1311  368.345   56.447  539.451   40.785 -171.1066 69.63966 
1 1 1   12    3    1 o  982.458   67.595   25.062   3.4143   0.0000   0.0000   25.062   3.4143  ?   ?   982.458   67.595      ?      ? 
1 1 1   12    3    3 o  799.338   44.918   16.464   1.8323   17.453   2.7961   15.719   2.4258  819.927   66.329  778.750   60.588 41.17682 89.83543 
1 1 1   12    3    5 o  861.521   41.230   19.189   1.8009   19.524   2.7994   18.952   2.3522  867.367   62.776  855.674   53.469 11.69354 82.46094 
1 1 1   12    3    7 o  596.591   39.070   9.2526   1.1945   8.7045   1.7239   9.7587   1.6568  579.309   57.881  613.872   52.494 -34.56244 78.13970 
1 1 1   12    3    9 f  512.685   38.133   6.8297   1.0035   7.1749   1.4069   6.4722   1.4317  526.056   52.019  499.314   55.773 26.74149 76.26614 
1 1 1   12    3   11 o  494.225   38.182   6.3119   0.9702   6.3119   0.9702   0.0000   0.0000  494.225   38.182  ?   ?       ?      ? 
1 1 1   12    3   13 o  490.652   33.877   6.2871   0.7985   6.3740   0.9736   6.1087   1.3956  496.620   38.130  484.684   56.006 11.93597 67.75365 
1 1 1   12    3   15 o  700.156   33.033   12.382   1.1281   11.759   1.3757   13.660   1.9712  674.631   39.662  725.680   52.835 -51.04883 66.06554 
1 1 1   12    3   17 o  1765.35   27.448   80.427   2.4910   79.075   3.5253   81.775   3.5202  1750.46   39.172  1780.23   38.461 -29.76501 54.89693 
1 1 1   12    3   19 o  1833.92   27.554   86.726   2.5979   87.577   3.6765   85.877   3.6716  1842.93   38.802  1824.91   39.133 18.02051 55.10887 
1 1 1   12    3   21 o  594.912   39.687   9.1610   1.2124   9.6357   1.7087   8.6797   1.7204  610.553   54.435  579.272   57.767 31.28149 79.37354 
1 1 1   12    3   23 f  179.617   30.911   0.6871   0.2968   0.2624   0.3626   1.5497   0.5168  117.743   44.210  241.490   43.213 -123.7476 61.82137 
1 1 1   12    3   25 o  946.519   28.098   23.111   1.3662   21.948   1.9260   24.290   1.9382  922.464   40.611  970.575   38.842 -48.11115 56.19598 
1 1 1   12    3   27 o  1243.48   34.021   39.544   2.0623   38.688   2.5283   41.247   3.5650  1224.55   40.159  1262.41   54.927 -37.86023 68.04266 
1 1 1   12    3   29 o  323.886   38.273   2.8628   0.5828   3.0899   0.7273   2.4558   0.9739  345.953   40.893  301.819   64.706 44.13483 76.54516 
1 1 1   12    3   31 o  1491.66   34.619   57.356   2.5102   56.815   3.0774   58.431   4.3395  1482.95   40.363  1500.36   56.257 -17.41675 69.23862 
1 1 1   12    3   33 o  722.275   57.614   13.585   2.1395   13.585   2.1395   0.0000   0.0000  722.275   57.614  ?   ?       ?      ? 
1 1 1   12    3   35 o  483.810   48.339   6.5417   1.0802   3.6547   1.5191   9.4943   1.5362  363.730   83.057  603.891   49.480 -240.1609 96.67857 
1 1 1   12    3   37 o  263.420   38.714   1.7793   0.4829   1.5680   0.5855   2.2287   0.8539  240.870   48.948  285.970   59.995 -45.09949 77.42896 
1 1 1   12    3   39 o  288.408   41.948   2.3652   0.5747   2.6100   0.7047   1.8786   0.9934  316.187   43.348  260.629   71.829 55.55804 83.89584 
1 1 1   12    3   41 o  367.734   36.724   3.5349   0.6628   3.4462   0.8189   3.7033   1.1285  362.540   43.937  372.928   58.857 -10.38727 73.44748 
1 1 1   12    3   43 o  694.278   42.007   12.670   1.4994   12.670   1.4994   0.0000   0.0000  694.278   42.007  ?   ?       ?      ? 
1 1 1   12    3   45 o  434.035   46.383   5.2345   1.0028   4.5080   1.4144   5.9689   1.4221  398.562   71.658  469.508   58.912 -70.94559 92.76601 
1 1 1   12    3   47 o  388.752   37.025   3.6508   0.6769   2.4229   0.8218   6.2417   1.1938  294.585   56.316  482.918   48.081 -188.3333 74.04942 
1 1 1   12    3   49 o  245.470   40.143   1.6828   0.4753   1.6356   0.5818   1.7775   0.8240  242.745   48.318  248.195   64.118 -5.449280 80.28555 
1 1 1   12    3   51 o  161.006   37.087   0.5321   0.3966   0.0000   0.5256   1.2357   0.6044  114.076   49.210  207.937   55.500 -93.86119 74.17427 
1 1 1   12    3   53 o  408.276   44.915   4.5365   0.9428   4.5365   0.9428   0.0000   0.0000  408.276   44.915  ?   ?       ?      ? 
1 1 1   12    3   55 o  356.318   33.837   3.5445   0.6104   4.2581   0.8712   2.8563   0.8556  394.326   42.970  318.310   52.281 76.01599 67.67378 
1 1 1   12    3   57 o  205.294   36.382   1.2509   0.3833   1.2144   0.5413   1.2876   0.5429  202.089   51.844  208.499   51.055 -6.409897 72.76308 
1 1 1   12    4    0 o   84.207   49.186   0.2158   0.3544   0.0000   0.0000   0.2158   0.3544   84.207   49.186   84.207   49.186 -0.000000 0.000000 
1 1 1   12    4    2 o  328.634   48.266   2.8866   0.7885   3.4032   1.1605   2.4436   1.0747  356.602   65.718  300.666   70.709 55.93619 96.53263 
1 1 1   12    4    4 o  730.112   35.099   13.625   1.3088   12.425   1.7336   15.215   1.9959  693.249   48.640  766.975   50.616 -73.72607 70.19884 
1 1 1   12    4    6 o  2416.41   38.197  148.197   4.3027  144.178   5.0727  158.505   8.1236  2362.88   41.757  2469.95   63.972 -107.0713 76.39446 
1 1 1   12    4    8 o  1223.48   33.599   38.831   2.0425   38.400   3.3396   39.089   2.5817  1216.96   53.376  1230.01   40.824 -13.05151 67.19881 
1 1 1   12    4   10 o  1152.64   33.502   34.505   1.9016   34.121   3.1743   34.721   2.3749  1146.31   53.861  1158.98   39.856 -12.66846 67.00359 
1 1 1   12    4   12 o  1870.43   56.330   90.995   5.4169   0.0000   0.0000   90.995   5.4169  ?   ?   1870.43   56.330      ?      ? 
1 1 1   12    4   14 f  896.398   38.864   20.873   1.7909   20.955   2.5192   20.790   2.5466  898.234   54.551  894.561   55.370 3.672546 77.72825 
1 1 1   12    4   16 o  894.616   35.466   21.605   1.4960   23.193   1.8277   18.380   2.6041  947.968   37.501  841.264   60.209 106.7037 70.93226 
1 1 1   12    4   18 o  359.687   34.453   3.3602   0.5982   3.3935   0.7318   3.2930   1.0386  362.720   39.241  356.655   56.642 6.064636 68.90697 
1 1 1   12    4   20 f  489.060   39.591   6.1865   0.9952   6.2530   1.3979   6.1182   1.4173  491.762   55.289  486.358   56.681 5.403809 79.18121 
1 1 1   12    4   22 o  308.503   29.113   2.4748   0.4547   1.9651   0.6390   2.9973   0.6470  275.968   45.039  341.037   36.902 -65.06894 58.22615 
1 1 1   12    4   24 o  478.537   40.256   5.9341   0.9832   6.8728   1.4095   5.0446   1.3721  515.651   53.168  441.423   60.460 74.22797 80.51241 
1 1 1   12    4   26 o  170.478   33.613   0.6787   0.2986   0.4643   0.3642   1.1180   0.5212  136.981   44.854  203.974   50.074 -66.99306 67.22600 
1 1 1   12    4   28 o  1067.70   34.748   29.663   1.7976   30.043   2.2088   28.918   3.0936  1078.97   39.818  1056.44   56.958 22.53979 69.49559 
1 1 1   12    4   30 o  605.851   34.409   9.3306   1.0208   8.9655   1.2531   10.051   1.7602  589.116   41.374  622.585   54.991 -33.46869 68.81715 
1 1 1   12    4   32 o   88.351   37.567   0.0000   0.2983   0.0000   0.2983   0.0000   0.0000   88.351   37.567  ?   ?       ?      ? 
1 1 1   12    4   34 o  1353.06   32.888   47.057   1.9946   46.566   2.3064   48.514   3.9720  1342.45   33.417  1363.68   56.654 -21.23560 65.77512 
1 1 1   12    4   36 o  478.534   36.445   6.0776   0.8431   6.2849   1.0404   5.6810   1.4389  491.975   41.132  465.093   60.176 26.88217 72.89039 
1 1 1   12    4   38 o  222.113   39.070   1.3845   0.4332   1.5058   0.5344   1.1522   0.7398  236.340   45.636  207.886   63.429 28.45403 78.14025 
1 1 1   12    4   40 o  512.808   36.119   6.7444   0.9063   6.3622   1.1083   7.5158   1.5745  493.094   43.716  532.522   57.510 -39.42783 72.23871 
1 1 1   12    4   42 o  316.533   46.494   2.7995   0.7430   2.2316   1.0803   3.3091   1.0235  280.759   73.851  352.307   56.504 -71.54785 92.98743 
1 1 1   12    4   44 o  665.370   42.943   11.980   1.4669   12.772   2.0853   11.204   2.0639  688.111   58.943  642.628   62.468 45.48328 85.88681 
1 1 1   12    4   46 o  391.178   46.965   4.2915   0.9180   3.8274   1.3065   4.7441   1.2901  365.212   72.140  417.143   60.156 -51.93149 93.93042 
1 1 1   12    4   48 o  235.371   46.231   1.5859   0.5927   2.0033   0.8370   1.1660   0.8395  264.657   62.512  206.085   68.129 58.57143 92.46220 
1 1 1   12    4   50 o  158.787   40.787   0.6016   0.4173   0.5981   0.5182   0.6081   0.7040  153.754   53.496  163.820   61.582 -10.06569 81.57323 
1 1 1   12    4   52 o  315.630   47.805   2.8958   0.7770   1.8717   1.0535   4.1176   1.1507  248.081   75.693  383.179   58.409 -135.0974 95.60911 
1 1 1   12    4   54 o  401.172   49.527   4.8318   1.0005   4.7193   1.4173   4.9435   1.4127  392.538   72.911  409.807   67.049 -17.26917 99.05334 
1 1 1   12    4   56 o  357.575   36.083   3.6723   0.6359   4.4175   0.9056   2.9476   0.8930  399.480   44.092  315.670   57.130 83.80966 72.16577 
1 1 1   12    5    1 o  887.846   47.721   20.485   2.1771   20.383   3.1274   20.582   3.0325  885.524   68.694  890.167   66.261 -4.643066 95.44251 
1 1 1   12    5    3 o  1209.57   31.775   37.915   1.9595   36.817   2.9448   38.788   2.6250  1193.38   47.997  1225.76   41.654 -32.37927 63.55087 
1 1 1   12    5    5 o  979.005   30.210   24.754   1.5200   24.825   2.1806   24.687   2.1199  980.313   43.265  977.698   42.173 2.615662 60.41922 
1 1 1   12    5    7 o  865.051   28.655   19.343   1.2714   19.545   1.7446   19.115   1.8568  870.010   39.004  860.092   41.990 9.917175 57.31042 
1 1 1   12    5    9 o  713.719   28.000   13.131   1.0261   12.499   1.4084   13.847   1.4980  695.463   39.389  731.975   39.807 -36.51154 56.00094 
1 1 1   12    5   11 o  189.526   29.685   0.9670   0.2814   0.9939   0.3875   0.9370   0.4092  192.479   40.445  186.574   43.463 5.905182 59.36966 
1 1 1   12    5   13 o  777.375   39.365   15.621   1.5733   0.0000   0.0000   15.621   1.5733  ?   ?   777.375   39.365      ?      ? 
1 1 1   12    5   15 o  1074.04   33.151   29.418   1.7416   31.250   3.0013   28.488   2.1385  1097.87   53.172  1050.21   39.605 47.65784 66.30132 
1 1 1   12    5   17 o  1686.35   39.214   73.605   3.3981   70.371   4.7566   76.976   4.8562  1648.39   56.127  1724.32   54.779 -75.92786 78.42806 
1 1 1   12    5   19 f  521.223   55.696   7.0268   1.4925   7.0268   1.4925   0.0000   0.0000  521.223   55.696  ?   ?       ?      ? 
1 1 1   12    5   21 o  710.830   39.237   13.026   1.4339   13.026   1.4339   0.0000   0.0000  710.830   39.237  ?   ?       ?      ? 
1 1 1   12    5   23 o  558.235   39.788   8.0347   1.1419   8.0347   1.1419   0.0000   0.0000  558.235   39.788  ?   ?       ?      ? 
1 1 1   12    5   25 o  1622.17   39.588   68.060   3.2999   71.232   4.7108   65.004   4.6238  1659.41   55.217  1584.92   56.744 74.48889 79.17603 
1 1 1   12    5   27 o  1416.43   34.675   52.320   2.3803   53.278   2.9297   50.460   4.0829  1437.03   39.654  1395.83   56.894 41.19751 69.34962 
1 1 1   12    5   29 o  1540.89   31.413   58.738   2.2015   55.961   2.5445   67.005   4.3905  1473.26   33.594  1608.52   53.090 -135.2566 62.82600 
1 1 1   12    5   31 o  597.338   36.068   9.5420   1.0352   10.167   1.2815   8.3679   1.7561  627.350   39.732  567.325   60.207 60.02454 72.13583 
1 1 1   12    5   33 o  514.194   34.074   6.8290   0.9008   6.8290   0.9008   0.0000   0.0000  514.194   34.074  ?   ?       ?      ? 
1 1 1   12    5   35 o  631.288   35.100   10.222   1.0850   9.8764   1.3336   10.899   1.8661  616.904   42.049  645.672   56.214 -28.76776 70.20022 
1 1 1   12    5   37 o  245.641   37.896   1.9082   0.4364   2.2829   0.5112   0.9027   0.8375  296.872   33.495  194.411   67.988 102.4603 75.79164 
1 1 1   12    5   39 o  426.848   32.462   4.4641   0.6387   4.1190   0.7403   5.4682   1.2628  398.083   36.174  455.613   53.912 -57.53061 64.92326 
1 1 1   12    5   41 o  605.369   35.264   9.8784   0.9374   10.089   1.0831   9.2495   1.8708  622.715   33.831  588.023   61.883 34.69183 70.52715 
1 1 1   12    5   43 o  515.426   34.403   6.9346   0.9117   6.9346   0.9117   0.0000   0.0000  515.426   34.403  ?   ?       ?      ? 
1 1 1   12    5   45 o  794.988   35.890   16.061   1.3992   14.289   1.7021   19.754   2.4573  733.976   45.106  855.999   55.836 -122.0234 71.77905 
1 1 1   12    5   47 o  573.315   48.600   9.3636   1.3095   5.8885   1.8090   13.189   1.8979  447.717   81.597  698.913   52.819 -251.1960 97.20058 
1 1 1   12    5   49 o  143.014   34.800   0.4047   0.3414   0.8800   0.5035   0.0000   0.4645  178.008   51.853  108.020   46.428 69.98846 69.60080 
1 1 1   12    5   51 o  591.353   46.690   10.007   1.3864   7.6585   1.9378   12.470   1.9843  512.938   73.479  669.768   57.626 -156.8290 93.38058 
1 1 1   12    5   53 o  252.067   67.170   1.9163   0.8862   1.9163   0.8862   0.0000   0.0000  252.067   67.170  ?   ?       ?      ? 
1 1 1   12    5   55 o  224.046   47.697   1.4666   0.6480   0.6650   0.8923   2.3612   0.9426  171.198   67.953  276.894   66.950 -105.6955 95.39398 
1 1 1   12    5   57 f  164.703   38.830   0.5978   0.4355   0.0000   0.5752   1.4012   0.6668  115.786   50.690  213.620   58.836 -97.83362 77.66087 
1 1 1   12    6    0 o  1354.63   68.650   47.808   4.7531   47.808   4.7531   0.0000   0.0000  1354.63   68.650  1354.63   68.650 0.000000 0.000000 
1 1 1   12    6    2 o  752.549   39.206   14.361   1.3751   15.408   2.5990   13.954   1.6204  770.032   65.649  735.065   42.878 34.96783 78.41148 
1 1 1   12    6    4 o  2111.58   31.196  115.049   3.3785  117.462   4.9751  112.984   4.6025  2131.77   45.393  2091.38   42.804 40.38965 62.39164 
1 1 1   12    6    6 o  451.855   30.002   5.3491   0.6866   6.2073   0.9523   4.4201   0.9908  490.368   37.772  413.342   46.623 77.02570 60.00340 
1 1 1   12    6    8 o  2070.60   28.543  110.710   3.0338  109.067   4.1621  112.573   4.4313  2054.49   39.404  2086.72   41.304 -32.22729 57.08536 
1 1 1   12    6   10 o  111.167   25.934   0.3020   0.1740   0.3658   0.2414   0.2329   0.2511  118.850   36.223  103.485   37.125 15.36520 51.86828 
1 1 1   12    6   12 o  1889.75   35.382   93.856   3.1394   95.719   3.7641   89.597   5.6905  1924.58   38.041  1854.92   59.670 69.66443 70.76459 
1 1 1   12    6   14 o  1537.51   39.201   61.316   3.0974   59.212   4.3112   63.560   4.4532  1510.26   55.523  1564.77   55.354 -54.50928 78.40211 
1 1 1   12    6   16 o  1773.45   33.795   81.731   2.8962   82.543   3.5468   80.108   5.0176  1788.52   38.572  1758.38   55.502 30.14270 67.58902 
1 1 1   12    6   18 o  1963.25   38.906   99.689   3.9268  101.273   5.5908   98.146   5.5165  1978.66   54.958  1947.84   55.086 30.81946 77.81291 
1 1 1   12    6   20 o  960.004   55.720   23.829   2.7501   23.829   2.7501   0.0000   0.0000  960.004   55.720  ?   ?       ?      ? 
1 1 1   12    6   22 o  639.862   56.188   10.587   1.8484   10.587   1.8484   0.0000   0.0000  639.862   56.188  ?   ?       ?      ? 
1 1 1   12    6   24 o  1258.14   39.783   40.819   2.5734   40.819   2.5734   0.0000   0.0000  1258.14   39.783  ?   ?       ?      ? 
1 1 1   12    6   26 o  616.529   32.788   9.7944   1.0393   9.7944   1.0393   0.0000   0.0000  616.529   32.788  ?   ?       ?      ? 
1 1 1   12    6   28 o  532.260   32.981   7.3025   0.9025   7.3025   0.9025   0.0000   0.0000  532.260   32.981  ?   ?       ?      ? 
1 1 1   12    6   30 o  1641.40   32.328   68.876   2.3893   68.017   2.7676   71.389   4.7343  1623.96   33.148  1658.84   55.511 -34.87708 64.65520 
1 1 1   12    6   32 o  1322.85   40.567   45.254   2.7590   45.254   2.7590   0.0000   0.0000  1322.85   40.567  ?   ?       ?      ? 
1 1 1   12    6   34 o  762.645   32.342   14.625   1.1155   14.124   1.2891   16.120   2.2260  739.171   33.920  786.119   55.076 -46.94769 64.68365 
1 1 1   12    6   36 o  1020.66   32.918   26.794   1.5116   26.431   1.7505   27.860   2.9976  1010.44   33.696  1030.89   56.558 -20.44220 65.83536 
1 1 1   12    6   38 o  738.254   34.169   14.401   1.1254   14.547   1.3057   13.980   2.2194  748.914   33.911  727.595   59.331 21.31866 68.33815 
1 1 1   12    6   40 o  441.222   36.213   5.3607   0.7096   5.6224   0.8309   4.6556   1.3638  464.959   34.760  417.484   63.540 47.47513 72.42641 
1 1 1   12    6   42 o  366.619   65.597   3.7255   1.1910   3.7255   1.1910   0.0000   0.0000  366.619   65.597  ?   ?       ?      ? 
1 1 1   12    6   44 o  797.821   35.101   17.195   1.2368   17.454   1.4314   16.433   2.4568  817.127   34.073  778.516   61.380 38.61066 70.20290 
1 1 1   12    6   46 o  383.490   33.409   3.5559   0.5889   3.1538   0.6781   4.7895   1.1877  346.006   38.121  420.974   54.877 -74.96860 66.81807 
1 1 1   12    6   48 o  657.773   41.057   12.625   1.2466   14.104   1.5308   9.7123   2.1481  729.025   40.842  586.521   71.236 142.5042 82.11323 
1 1 1   12    6   50 o  262.757   39.925   1.9648   0.5043   2.0258   0.6160   1.8408   0.8782  274.873   43.590  250.640   66.903 24.23364 79.85056 
1 1 1   12    6   52 o  223.746   51.519   1.4280   0.5804   1.4280   0.5804   0.0000   0.0000  223.746   51.519  ?   ?       ?      ? 
1 1 1   12    6   54 o  151.086   39.417   0.4141   0.4283   0.0000   0.5603   0.9964   0.6644  116.185   50.462  185.988   60.566 -69.80389 78.83334 
1 1 1   12    6   56 o  326.793   53.185   3.5114   0.8832   2.8156   1.2818   4.1401   1.2185  287.382   82.455  366.204   67.198 -78.82178 106.3693 
1 1 1   12    7    1 o  668.049   40.139   11.345   1.2610   12.131   2.3451   11.026   1.4956  682.904   66.793  653.194   44.534 29.71051 80.27831 
1 1 1   12    7    3 o  1075.71   38.757   29.364   1.9649   31.577   3.6449   28.458   2.3329  1101.99   64.335  1049.43   43.239 52.55994 77.51478 
1 1 1   12    7    5 o  689.822   38.723   11.838   1.2306   11.249   1.4329   13.493   2.4025  659.733   42.245  719.911   64.909 -60.17743 77.44590 
1 1 1   12    7    7 o  718.604   36.968   12.683   1.2308   11.835   1.4337   15.058   2.4004  676.617   41.214  760.590   61.384 -83.97321 73.93602 
1 1 1   12    7    9 o  851.403   36.630   18.291   1.4466   17.633   1.6966   20.043   2.7685  825.808   39.960  876.998   61.401 -51.18994 73.25939 
1 1 1   12    7   11 o  694.911   35.396   12.230   1.1561   11.813   1.3690   13.267   2.1587  675.970   39.390  713.851   58.820 -37.88092 70.79119 
1 1 1   12    7   13 o  197.462   35.356   0.9398   0.4073   0.2156   0.5468   1.8425   0.6105  132.033   52.932  262.892   46.887 -130.8584 70.71252 
1 1 1   12    7   15 o  806.583   34.209   16.814   1.3257   16.781   1.6099   16.882   2.3366  806.292   38.836  806.874   56.327 -0.5823975 68.41753 
1 1 1   12    7   17 o  863.152   33.589   19.007   1.4162   18.500   1.7379   20.007   2.4431  846.874   39.915  879.430   54.034 -32.55548 67.17834 
1 1 1   12    7   19 o  1830.06   32.075   86.263   3.0179   86.263   3.0179   0.0000   0.0000  1830.06   32.075  ?   ?       ?      ? 
1 1 1   12    7   21 f  1547.70   39.168   61.916   3.1164   62.761   4.4424   61.096   4.3729  1558.10   55.457  1537.31   55.327 20.78967 78.33572 
1 1 1   12    7   23 o  957.739   33.715   23.381   1.5802   22.727   1.9428   24.660   2.7166  938.799   40.251  976.680   54.100 -37.88123 67.43099 
1 1 1   12    7   25 o  1226.57   39.829   38.983   2.5085   37.260   3.5780   40.648   3.5180  1199.63   58.013  1253.51   54.588 -53.87097 79.65780 
1 1 1   12    7   27 o  533.042   40.682   7.3332   1.1149   7.3332   1.1149   0.0000   0.0000  533.042   40.682  ?   ?       ?      ? 
1 1 1   12    7   29 o  902.355   33.056   20.995   1.5335   20.995   1.5335   0.0000   0.0000  902.355   33.056  ?   ?       ?      ? 
1 1 1   12    7   31 o  1502.57   40.477   58.348   3.1269   58.348   3.1269   0.0000   0.0000  1502.57   40.477  ?   ?       ?      ? 
1 1 1   12    7   33 o  547.002   30.840   6.9641   0.7823   6.0642   0.9035   9.6592   1.5635  484.311   36.285  609.692   49.878 -125.3810 61.67980 
1 1 1   12    7   35 o  666.952   38.540   12.490   1.1957   14.154   1.4773   9.3306   2.0359  738.864   38.889  595.040   66.550 143.8238 77.07990 
1 1 1   12    7   37 o  582.538   34.556   9.0748   0.8916   9.2873   1.0344   8.4603   1.7586  598.676   33.606  566.400   60.391 32.27612 69.11210 
1 1 1   12    7   39 o  720.684   34.386   13.711   1.0967   13.792   1.2662   13.467   2.1943  728.810   33.793  712.558   59.897 16.25128 68.77180 
1 1 1   12    7   41 o  556.484   36.873   8.1581   1.0034   8.0674   1.2389   8.3309   1.7107  554.478   43.460  558.490   59.579 -4.012024 73.74596 
1 1 1   12    7   43 o  276.478   38.610   2.1874   0.4706   2.3075   0.5483   1.8518   0.9166  297.043   35.906  255.914   68.366 41.12877 77.22090 
1 1 1   12    7   45 o  211.929   40.198   1.3420   0.4435   1.5573   0.5286   0.8302   0.8150  238.790   44.697  185.069   66.827 53.72112 80.39699 
1 1 1   12    7   47 o  873.977   33.098   18.844   1.3178   17.185   1.5153   23.992   2.6697  807.830   36.484  940.125   55.234 -132.2959 66.19550 
1 1 1   12    7   49 o  382.638   33.724   3.4412   0.5884   2.9305   0.6718   5.1254   1.2199  332.261   39.325  433.015   54.798 -100.7541 67.44771 
1 1 1   12    7   51 o  146.800   39.242   0.4592   0.4089   0.6152   0.5889   0.3140   0.5681  157.696   56.826  135.905   54.133 21.79124 78.48335 
1 1 1   12    7   53 o  339.437   39.676   2.9172   0.6408   1.9780   0.7778   4.9004   1.1303  259.398   59.580  419.477   52.411 -160.0792 79.35118 
1 1 1   12    7   55 o  201.618   42.785   1.1727   0.5042   1.7327   0.7365   0.6789   0.6917  239.906   59.897  163.330   61.112 76.57619 85.57008 
1 1 1   12    7   57 o  125.052   35.038   0.3050   0.3270   0.2761   0.4151   0.3524   0.5311  118.235   46.530  131.870   52.398 -13.63441 70.07610 
1 1 1   12    8    0 o  1775.82   68.807   81.983   6.2607   0.0000   0.0000   81.983   6.2607  1775.82   68.807  1775.82   68.807 -0.000000 0.000000 
1 1 1   12    8    2 o  979.861   40.972   25.193   1.8328   25.518   2.1537   24.339   3.4899  993.711   42.156  966.010   70.268 27.70099 81.94336 
1 1 1   12    8    4 o  995.673   37.304   24.574   1.5275   23.857   1.6969   27.638   3.5072  961.566   34.324  1029.78   66.244 -68.21442 74.60797 
1 1 1   12    8    6 o  412.527   36.141   4.1522   0.6097   3.9939   0.6748   4.8559   1.4229  393.425   33.364  431.630   64.122 -38.20471 72.28261 
1 1 1   12    8    8 o  271.222   38.534   1.9906   0.4182   2.0188   0.4644   1.8693   0.9621  279.709   32.293  262.735   69.977 16.97324 77.06857 
1 1 1   12    8   10 f  287.242   41.460   2.4246   0.5339   2.7104   0.6275   1.6751   1.0163  323.863   37.688  250.620   73.859 73.24284 82.91901 
1 1 1   12    8   12 o  776.622   32.604   14.806   1.0949   14.167   1.2356   17.144   2.3623  741.031   32.433  812.214   56.570 -71.18292 65.20793 
1 1 1   12    8   14 o  2052.32   34.555  107.765   3.3906  105.667   4.0825  112.429   6.0875  2022.97   39.253  2081.67   56.880 -58.69275 69.10952 
1 1 1   12    8   16 o  1496.97   33.888   56.974   2.4601   55.185   2.9931   60.699   4.3188  1462.54   39.806  1531.39   54.854 -68.85461 67.77502 
1 1 1   12    8   18 o  1966.75   31.963   99.634   3.2320   99.634   3.2320   0.0000   0.0000  1966.75   31.963  ?   ?       ?      ? 
1 1 1   12    8   20 o  1301.55   32.339   44.380   1.8720   45.065   2.1696   42.386   3.7035  1322.78   31.902  1280.32   56.264 42.46545 64.67867 
1 1 1   12    8   22 o  413.616   30.712   4.1167   0.5812   3.8009   0.6704   5.0727   1.1663  384.106   33.946  443.126   51.192 -59.01941 61.42434 
1 1 1   12    8   24 o  1061.68   31.922   28.830   1.5232   28.551   1.7637   29.649   3.0220  1052.72   32.587  1070.63   54.901 -17.91089 63.84350 
1 1 1   12    8   26 o  1652.46   34.740   71.528   2.7760   73.487   3.4178   67.731   4.7589  1687.77   39.388  1617.14   57.238 70.63074 69.48094 
1 1 1   12    8   28 o  1724.40   33.953   75.620   2.8675   72.855   3.5222   81.052   4.9380  1679.88   40.782  1768.93   54.296 -89.05103 67.90607 
1 1 1   12    8   30 o  605.824   40.897   9.4836   1.2738   9.4836   1.2738   0.0000   0.0000  605.824   40.897  ?   ?       ?      ? 
1 1 1   12    8   32 o  1632.63   57.520   69.409   4.8281   69.409   4.8281   0.0000   0.0000  1632.63   57.520  ?   ?       ?      ? 
1 1 1   12    8   34 o  829.042   33.419   17.770   1.4244   17.770   1.4244   0.0000   0.0000  829.042   33.419  ?   ?       ?      ? 
1 1 1   12    8   36 o  592.929   41.880   9.1408   1.2767   9.1408   1.2767   0.0000   0.0000  592.929   41.880  ?   ?       ?      ? 
1 1 1   12    8   38 o  774.719   33.355   15.533   1.1631   15.347   1.3481   16.074   2.3006  769.041   34.096  780.396   57.339 -11.35547 66.71007 
1 1 1   12    8   40 o  408.988   35.359   4.5012   0.6411   4.5996   0.7442   4.2183   1.2624  420.486   34.426  397.491   61.774 22.99533 70.71892 
1 1 1   12    8   42 o  1067.20   42.381   29.932   2.3254   29.932   2.3254   0.0000   0.0000  1067.20   42.381  ?   ?       ?      ? 
1 1 1   12    8   44 f  318.408   42.707   3.4120   0.5826   4.0771   0.6828   1.6325   1.1169  394.913   33.632  241.903   78.515 153.0103 85.41461 
1 1 1   12    8   46 f  190.712   40.213   0.9527   0.3929   0.8808   0.4633   1.1370   0.7416  178.496   48.997  202.928   63.778 -24.43152 80.42568 
1 1 1   12    8   48 f  529.722   36.872   7.5439   0.8601   7.4901   0.9892   7.7105   1.7406  532.942   36.104  526.503   64.302 6.439758 73.74490 
1 1 1   12    8   50 o  972.780   34.688   24.849   1.5191   23.963   1.7547   27.499   3.0352  951.336   35.875  994.224   59.379 -42.88745 69.37541 
1 1 1   12    8   52 o  532.375   44.805   7.6960   1.2263   7.6960   1.2263   0.0000   0.0000  532.375   44.805  ?   ?       ?      ? 
1 1 1   12    8   54 o  234.180   48.840   1.6926   0.6378   1.3652   0.9127   2.0051   0.8917  212.629   71.069  255.732   67.014 -43.10310 97.68099 
1 1 1   12    8   56 o  444.490   39.694   5.2410   0.8630   4.1415   1.0426   7.6335   1.5379  379.425   53.445  509.554   58.704 -130.1290 79.38847 
1 1 1   12    9    1 o  789.318   40.152   16.158   1.4556   16.128   1.7102   16.236   2.7729  789.829   42.115  788.806   68.374 1.023438 80.30327 
1 1 1   12    9    3 o  570.025   44.060   9.0315   1.0986   9.6500   1.2838   7.3397   2.1235  611.010   40.869  529.039   78.070 81.97076 88.12045 
1 1 1   12    9    5 o  1018.25   36.957   25.785   1.5269   25.111   1.6900   28.776   3.5618  986.444   33.324  1050.06   65.976 -63.61267 73.91424 
1 1 1   12    9    7 o  1149.03   37.097   33.790   1.7287   33.484   1.9208   35.092   3.9656  1139.06   32.799  1158.99   66.551 -19.93591 74.19431 
1 1 1   12    9    9 o  1737.04   36.043   77.523   2.5710   77.006   2.8698   79.626   5.7865  1727.46   32.313  1746.63   64.438 -19.17285 72.08646 
1 1 1   12    9   11 o  1255.51   34.807   40.488   1.8281   40.221   2.0536   41.506   4.0128  1248.65   31.989  1262.36   61.830 -13.71716 69.61449 
1 1 1   12    9   13 o  2061.75   33.995  109.815   2.9738  109.658   3.3623  110.381   6.3734  2062.32   31.711  2061.19   60.143 1.132568 67.99089 
1 1 1   12    9   15 o  1793.33   35.595   84.590   3.0148   86.911   3.6374   79.497   5.3885  1835.51   38.545  1751.15   59.852 84.35791 71.18939 
1 1 1   12    9   17 o  293.921   32.252   2.2254   0.4874   2.2254   0.4874   0.0000   0.0000  293.921   32.252  ?   ?       ?      ? 
1 1 1   12    9   19 o  838.854   32.451   18.237   1.2038   18.312   1.3872   18.008   2.4226  843.205   31.998  834.502   56.465 8.702637 64.90154 
1 1 1   12    9   21 o  1618.77   34.046   67.849   2.6705   68.245   3.2752   67.062   4.6127  1627.03   39.153  1610.51   55.709 16.51794 68.09151 
1 1 1   12    9   23 o  1895.17   32.071   92.875   2.7220   93.050   3.1547   92.366   5.3849  1900.58   32.285  1889.76   55.424 10.82666 64.14152 
1 1 1   12    9   25 o  1398.15   35.333   52.124   2.3644   55.323   2.9126   45.941   4.0491  1464.60   38.681  1331.71   59.139 132.8855 70.66550 
1 1 1   12    9   27 o  1610.59   32.289   66.737   2.3282   66.434   2.6936   67.630   4.6291  1605.45   32.634  1615.73   55.726 -10.27673 64.57814 
1 1 1   12    9   29 o  889.163   34.248   20.136   1.4896   19.433   1.8278   21.527   2.5704  867.290   40.992  911.036   54.877 -43.74597 68.49687 
1 1 1   12    9   31 o  1069.21   40.524   29.559   2.2276   29.559   2.2276   0.0000   0.0000  1069.21   40.524  ?   ?       ?      ? 
1 1 1   12    9   33 o  298.861   39.074   2.3903   0.5571   2.4322   0.6899   2.3120   0.9444  306.210   43.822  291.512   64.704 14.69855 78.14748 
1 1 1   12    9   35 o  635.640   58.794   10.603   1.9214   10.603   1.9214   0.0000   0.0000  635.640   58.794  ?   ?       ?      ? 
1 1 1   12    9   37 o  128.576   40.816   0.4230   0.3031   0.4230   0.3031   0.0000   0.0000  128.576   40.816  ?   ?       ?      ? 
1 1 1   12    9   39 o  921.113   33.808   22.043   1.6011   22.043   1.6011   0.0000   0.0000  921.113   33.808  ?   ?       ?      ? 
1 1 1   12    9   41 o  304.803   45.136   2.4443   0.7073   2.4443   0.7073   0.0000   0.0000  304.803   45.136  ?   ?       ?      ? 
1 1 1   12    9   43 o  615.115   34.835   9.9966   0.9559   9.9353   1.1055   10.178   1.9031  616.451   34.882  613.779   60.310 2.671082 69.67087 
1 1 1   12    9   45 o  349.031   45.114   3.8491   0.7127   4.6920   0.8796   2.2387   1.2158  421.523   40.588  276.540   80.584 144.9832 90.22858 
1 1 1   12    9   47 o  174.324   36.436   0.8036   0.3187   0.7789   0.3690   0.8759   0.6322  168.038   42.641  180.610   59.093 -12.57178 72.87151 
1 1 1   12    9   49 o  172.807   35.531   0.9114   0.3747   1.2406   0.4371   0.0000   0.7274  212.411   41.516  133.204   57.674 79.20728 71.06255 
1 1 1   12    9   51 o  351.995   71.975   3.7029   1.2586   3.7029   1.2586   0.0000   0.0000  351.995   71.975  ?   ?       ?      ? 
1 1 1   12    9   53 o  288.430   43.831   2.4045   0.5961   2.2985   0.7208   2.6338   1.0601  284.173   51.222  292.687   71.141 -8.514404 87.66228 
1 1 1   12    9   55 o  244.372   50.441   1.9012   0.6754   1.7439   0.9661   2.0514   0.9445  233.998   72.673  254.747   69.970 -20.74886 100.8824 
1 1 1   12   10    0 o  544.431   52.156   7.8617   1.4291   0.0000   0.0000   7.8617   1.4291  544.431   52.156  544.431   52.156 -0.000000 0.000000 
1 1 1   12   10    2 o  340.818   43.622   3.1739   0.6559   3.2806   0.7686   2.8879   1.2582  356.139   41.976  325.497   76.483 30.64224 87.24452 
1 1 1   12   10    4 o  849.810   37.311   17.972   1.2810   17.512   1.4163   20.039   3.0041  823.711   33.443  875.909   66.709 -52.19873 74.62218 
1 1 1   12   10    6 o  1143.47   38.412   34.157   1.7532   34.264   1.9447   33.690   4.0520  1152.22   32.828  1134.72   69.457 17.50208 76.82429 
1 1 1   12   10    8 o  663.310   36.909   11.275   0.9967   11.181   1.1089   11.670   2.2731  658.201   32.770  668.419   66.146 -10.21881 73.81813 
1 1 1   12   10   10 o  404.065   40.902   4.3938   0.7254   4.4987   0.8517   4.1167   1.3845  417.205   39.705  390.926   71.521 26.27853 81.80351 
1 1 1   12   10   12 o  1109.66   34.290   31.218   1.6054   30.736   1.8051   33.039   3.5114  1091.79   32.158  1127.53   60.573 -35.74634 68.58029 
1 1 1   12   10   14 o  1107.18   40.646   31.670   2.3093   30.322   3.1496   33.237   3.3960  1081.91   56.623  1132.46   58.329 -50.54639 81.29176 
1 1 1   12   10   16 o  899.860   31.858   20.859   1.4739   20.859   1.4739   0.0000   0.0000  899.860   31.858  ?   ?       ?      ? 
1 1 1   12   10   18 o  1870.84   32.888   91.141   2.6912   91.882   3.0885   88.804   5.4848  1888.79   31.805  1852.88   57.576 35.90833 65.77640 
1 1 1   12   10   20 o  219.919   35.377   1.3569   0.3475   1.4458   0.3964   1.0616   0.7227  236.920   32.541  202.917   62.826 34.00230 70.75311 
1 1 1   12   10   22 o  853.934   31.377   18.072   1.2097   17.314   1.3939   20.386   2.4350  819.807   33.070  888.061   53.333 -68.25385 62.75350 
1 1 1   12   10   24 o  1398.43   33.105   51.998   2.0450   53.523   2.3714   47.574   4.0395  1441.36   32.000  1355.51   57.963 85.85291 66.21005 
1 1 1   12   10   26 o  876.489   31.618   19.161   1.2519   18.457   1.4446   21.285   2.5089  846.203   33.204  906.776   53.817 -60.57306 63.23598 
1 1 1   12   10   28 o  706.487   34.875   12.939   1.1960   12.983   1.4687   12.852   2.0606  709.071   40.287  703.902   56.939 5.168396 69.75002 
1 1 1   12   10   30 o  806.606   32.960   16.784   1.3668   16.784   1.3668   0.0000   0.0000  806.606   32.960  ?   ?       ?      ? 
1 1 1   12   10   32 o  2001.00   34.481  102.445   3.3693   99.213   4.1301  108.874   5.8255  1957.48   41.039  2044.52   55.421 -87.04456 68.96148 
1 1 1   12   10   34 o  333.632   44.038   3.6033   0.6665   4.6540   0.8181   1.5297   1.1492  423.832   37.543  243.432   79.674 180.4004 88.07610 
1 1 1   12   10   36 o  312.616   43.188   2.6289   0.6798   2.9695   0.9662   2.2950   0.9566  336.245   55.894  288.986   65.854 47.25882 86.37614 
1 1 1   12   10   38 o  274.230   39.440   1.8837   0.5121   1.5327   0.6187   2.6474   0.9126  236.973   52.190  311.486   59.147 -74.51297 78.88060 
1 1 1   12   10   40 o  246.566   50.023   1.6588   0.6124   1.6588   0.6124   0.0000   0.0000  246.566   50.023  ?   ?       ?      ? 
1 1 1   12   10   42 o  891.320   42.265   20.899   1.9368   20.899   1.9368   0.0000   0.0000  891.320   42.265  ?   ?       ?      ? 
1 1 1   12   10   44 o  312.783   35.896   2.5655   0.5772   2.5655   0.5772   0.0000   0.0000  312.783   35.896  ?   ?       ?      ? 
1 1 1   12   10   46 o  455.964   39.618   5.8879   0.8589   6.4283   1.0671   4.8934   1.4475  492.269   42.161  419.659   67.088 72.60965 79.23643 
1 1 1   12   10   48 o  236.857   37.582   1.4742   0.3982   1.3690   0.4581   1.7997   0.8056  223.662   41.359  250.052   62.762 -26.39014 75.16421 
1 1 1   12   10   50 f  568.328   38.302   8.8423   1.0638   8.7305   1.3146   9.0544   1.8106  569.031   44.934  567.625   62.042 1.406677 76.60439 
1 1 1   12   10   52 o  332.489   43.067   3.4899   0.6010   3.7963   0.6965   2.5971   1.1890  377.268   35.909  287.709   78.293 89.55887 86.13493 
1 1 1   12   10   54 o  154.859   34.489   0.6801   0.3519   1.0275   0.4325   0.0000   0.6053  189.776   45.011  119.941   52.268 69.83423 68.97816 
1 1 1   12   10   56 o  309.933   42.144   2.7948   0.6147   2.6334   0.7416   3.1492   1.0990  305.622   47.198  314.245   69.833 -8.622986 84.28719 
1 1 1   12   11    1 o  1277.67   27.597   42.108   1.7808   41.721   2.3070   42.679   2.8013  1271.06   35.303  1284.28   42.426 -13.22021 55.19325 
1 1 1   12   11    3 o  379.492   42.392   3.9229   0.6242   3.9909   0.6959   3.6433   1.4119  393.155   34.429  365.828   77.478 27.32700 84.78331 
1 1 1   12   11    5 o  327.608   41.839   2.7687   0.6108   2.6795   0.7106   3.0208   1.1947  321.755   42.959  333.460   71.809 -11.70496 83.67831 
1 1 1   12   11    7 o  426.246   44.423   5.0399   0.8085   5.2897   0.9435   4.3492   1.5686  452.278   40.577  400.214   79.039 52.06354 88.84598 
1 1 1   12   11    9 o  1877.78   38.580   90.748   3.3109   89.806   3.8702   93.321   6.3940  1863.97   40.386  1891.58   65.748 -27.60303 77.16066 
1 1 1   12   11   11 o  548.084   35.439   7.1005   0.9117   6.2420   1.0629   9.4903   1.7734  491.478   42.066  604.691   57.045 -113.2127 70.87782 
1 1 1   12   11   13 o  886.100   41.309   20.166   1.8729   18.428   2.5044   22.371   2.8210  843.264   57.766  928.936   59.067 -85.67218 82.61898 
1 1 1   12   11   15 o  856.137   31.945   18.882   1.4061   18.882   1.4061   0.0000   0.0000  856.137   31.945  ?   ?       ?      ? 
1 1 1   12   11   17 o  798.668   33.507   16.545   1.1555   16.612   1.3173   16.322   2.4064  803.110   31.904  794.226   58.932 8.884399 67.01379 
1 1 1   12   11   19 o  2078.04   32.565  110.773   2.9810  110.148   3.4204  112.745   6.0794  2068.02   32.170  2088.07   56.630 -20.05688 65.12934 
1 1 1   12   11   21 o  1418.22   34.067   51.345   2.3425   50.199   2.8551   53.704   4.0974  1395.30   39.801  1441.15   55.301 -45.84229 68.13458 
1 1 1   12   11   23 o  2092.94   32.186  112.668   3.0104  112.233   3.4802  113.961   5.9997  2087.19   32.432  2098.69   55.605 -11.50513 64.37178 
1 1 1   12   11   25 o  272.264   40.206   2.2408   0.5169   2.7137   0.6258   1.2248   0.9172  324.374   37.523  220.155   71.120 104.2191 80.41151 
1 1 1   12   11   27 o  2020.29   32.594  106.119   2.9385  106.749   3.4032  104.273   5.8252  2034.96   32.528  2005.61   56.493 29.35266 65.18871 
1 1 1   12   11   29 o  758.704   32.883   14.847   1.2827   14.847   1.2827   0.0000   0.0000  758.704   32.883  ?   ?       ?      ? 
1 1 1   12   11   31 o  897.155   34.914   20.745   1.5232   20.446   1.8661   21.340   2.6368  888.911   40.834  905.400   56.645 -16.48969 69.82843 
1 1 1   12   11   33 f  471.263   30.718   5.0161   0.6673   4.2079   0.7656   7.5712   1.3613  403.171   36.936  539.356   49.092 -136.1847 61.43560 
1 1 1   12   11   35 o  1305.25   35.304   44.288   2.2459   43.832   2.7616   45.181   3.8596  1298.61   41.364  1311.88   57.224 -13.27405 70.60845 
1 1 1   12   11   37 o  917.190   34.758   22.602   1.4007   23.161   1.6197   20.942   2.7893  944.993   33.338  889.388   61.000 55.60510 69.51556 
1 1 1   12   11   39 o  267.454   41.388   2.1879   0.5331   2.6121   0.6420   1.2456   0.9568  316.323   39.476  218.584   72.757 97.73947 82.77634 
1 1 1   12   11   41 o  814.805   59.584   17.806   2.4961   17.806   2.4961   0.0000   0.0000  814.805   59.584  ?   ?       ?      ? 
1 1 1   12   11   43 o  265.248   49.622   1.9285   0.6518   1.9285   0.6518   0.0000   0.0000  265.248   49.622  ?   ?       ?      ? 
1 1 1   12   11   45 o  352.854   45.135   3.3124   0.8188   3.3124   0.8188   0.0000   0.0000  352.854   45.135  ?   ?       ?      ? 
1 1 1   12   11   47 o  858.678   34.658   19.396   1.5300   19.396   1.5300   0.0000   0.0000  858.678   34.658  ?   ?       ?      ? 
1 1 1   12   11   49 f  389.824   42.397   4.5585   0.6818   4.8535   0.7902   3.6986   1.3490  428.316   35.884  351.332   76.826 76.98395 84.79311 
1 1 1   12   11   51 o  282.000   46.330   2.1633   0.6717   2.1633   0.6717   0.0000   0.0000  282.000   46.330  ?   ?       ?      ? 
1 1 1   12   11   53 o  246.828   40.107   2.0780   0.4747   2.4257   0.5458   0.9987   0.9615  301.119   35.255  192.537   72.051 108.5820 80.21404 
1 1 1   12   11   55 o  469.810   44.426   6.8042   0.9445   7.2716   1.1576   5.8733   1.6336  512.457   43.936  427.163   77.229 85.29385 88.85200 
1 1 1   12   12    0 o  1920.33   36.254   95.427   3.5553   95.781   5.3059   95.139   4.7896  1922.90   53.765  1917.76   48.648 -0.000000 0.000000 
1 1 1   12   12    2 o  513.667   25.136   6.8276   0.6622   7.0481   0.9146   6.5846   0.9600  522.500   34.047  504.833   36.987 17.66730 50.27161 
1 1 1   12   12    4 o  1249.74   28.039   40.554   1.7644   41.277   2.2872   39.492   2.7729  1264.30   35.186  1235.17   43.666 29.13367 56.07841 
1 1 1   12   12    6 o  343.937   30.865   3.0681   0.5365   2.3695   0.7403   3.8408   0.7785  302.391   47.617  385.483   39.283 -83.09232 61.72920 
1 1 1   12   12    8 o  1711.02   38.776   74.054   3.0433   71.792   3.5484   80.344   5.9180  1666.48   41.416  1755.56   65.567 -89.07373 77.55228 
1 1 1   12   12   10 o  1592.12   42.634   65.505   3.4898   0.0000   0.0000   65.505   3.4898  ?   ?   1592.12   42.634      ?      ? 
1 1 1   12   12   12 o  1425.14   54.906   52.590   4.0230   52.590   4.0230   0.0000   0.0000  1425.14   54.906  ?   ?       ?      ? 
1 1 1   12   12   14 o  1257.58   39.119   40.784   2.5293   40.784   2.5293   0.0000   0.0000  1257.58   39.119  ?   ?       ?      ? 
1 1 1   12   12   16 o  1071.76   35.073   29.160   1.7826   28.388   2.1283   30.976   3.2629  1049.31   39.451  1094.21   58.000 -44.90283 70.14559 
1 1 1   12   12   18 f  233.768   37.801   1.4449   0.4116   1.4255   0.4867   1.4937   0.7714  231.496   42.457  236.039   62.556 -4.542664 75.60277 
1 1 1   12   12   20 o  1356.57   34.497   47.088   2.2539   46.301   2.7331   48.759   3.9849  1340.07   39.669  1373.08   56.448 -33.00623 68.99313 
1 1 1   12   12   22 o  2243.74   32.026  127.204   3.2084  124.497   3.6920  135.556   6.4843  2198.27   32.668  2289.20   55.094 -90.92798 64.05127 
1 1 1   12   12   24 o  973.327   31.718   23.717   1.3907   22.956   1.6039   26.025   2.7916  943.817   33.054  1002.84   54.145 -59.02039 63.43653 
1 1 1   12   12   26 o  1553.09   33.208   63.686   2.2813   65.036   2.6413   59.723   4.5265  1588.46   32.342  1517.72   58.010 70.74280 66.41675 
1 1 1   12   12   28 o  1169.60   40.298   35.338   2.4232   35.338   2.4232   0.0000   0.0000  1169.60   40.298  ?   ?       ?      ? 
1 1 1   12   12   30 o  242.060   38.377   1.7840   0.4209   2.0243   0.4822   1.0160   0.8620  280.048   33.493  204.073   69.061 75.97519 76.75407 
1 1 1   12   12   32 o  330.007   41.192   3.1000   0.6246   3.4879   0.7695   2.3507   1.0693  366.891   40.793  293.122   71.576 73.76938 82.38411 
1 1 1   12   12   34 o  807.131   35.987   18.304   1.2475   19.592   1.4475   14.587   2.4593  870.243   32.352  744.019   64.293 126.2238 71.97391 
1 1 1   12   12   36 o  238.889   38.633   1.4712   0.4467   1.2609   0.5484   1.8858   0.7700  215.226   50.438  262.553   58.533 -47.32730 77.26648 
1 1 1   12   12   38 o  488.775   32.885   5.9717   0.7309   5.6590   0.8444   6.9060   1.4596  466.513   35.207  511.036   55.553 -44.52347 65.76974 
1 1 1   12   12   40 f  198.207   41.189   1.0660   0.4060   1.0660   0.4060   0.0000   0.0000  198.207   41.189  ?   ?       ?      ? 
1 1 1   12   12   42 o  139.086   37.263   0.3725   0.3667   0.4959   0.5432   0.2691   0.4972  148.983   54.438  129.189   50.899 19.79344 74.52655 
1 1 1   12   12   44 o  554.253   38.789   8.5280   1.0206   9.0056   1.2507   7.5763   1.7656  583.661   41.678  524.844   65.432 58.81708 77.57804 
1 1 1   12   12   46 o  205.859   65.668   1.1747   0.7838   1.1747   0.7838   0.0000   0.0000  205.859   65.668  ?   ?       ?      ? 
1 1 1   12   12   48 o  651.081   35.499   11.190   1.1883   11.190   1.1883   0.0000   0.0000  651.081   35.499  ?   ?       ?      ? 
1 1 1   12   12   50 o  115.126   41.235   0.3102   0.3096   0.3102   0.3096   0.0000   0.0000  115.126   41.235  ?   ?       ?      ? 
1 1 1   12   12   52 o  174.140   33.053   0.9681   0.3460   1.2921   0.3998   0.0000   0.6911  220.039   35.336  128.241   55.869 91.79861 66.10621 
1 1 1   12   12   54 o  142.333   36.436   0.4637   0.3158   0.3786   0.3725   0.6815   0.5955  124.800   45.159  159.866   57.192 -35.06654 72.87109 
1 1 1   12   12   56 o  417.342   46.998   5.7539   0.7792   6.1204   0.8948   4.6036   1.5851  473.561   36.751  361.122   86.514 112.4393 93.99629 
1 1 1   12   13    1 o  1461.01   27.595   54.926   2.0451   53.721   2.6688   56.640   3.1831  1442.28   35.991  1479.74   41.841 -37.45911 55.19091 
1 1 1   12   13    3 o  1816.09   28.121   85.186   2.5913   84.819   3.3979   85.696   4.0062  1812.22   36.470  1819.96   42.815 -7.738892 56.24211 
1 1 1   12   13    5 o  440.652   30.245   5.0239   0.6848   5.0714   0.9540   4.9735   0.9835  442.854   41.899  438.451   43.631 4.402771 60.49089 
1 1 1   12   13    7 o  1188.45   29.951   36.638   1.8235   38.925   2.5313   34.171   2.6291  1227.47   40.111  1149.43   44.489 78.04993 59.90170 
1 1 1   12   13    9 o  384.434   73.617   3.9807   1.4020   0.0000   0.0000   3.9807   1.4020  ?   ?   384.434   73.617      ?      ? 
1 1 1   12   13   11 o  1656.34   39.076   71.074   3.3257   73.075   4.6741   69.023   4.7329  1680.21   54.108  1632.47   56.391 47.74023 78.15164 
1 1 1   12   13   13 o  1041.59   33.772   27.642   1.7124   26.876   2.0933   29.191   2.9773  1020.82   39.885  1062.36   54.510 -41.54285 67.54367 
1 1 1   12   13   15 o  2142.38   28.475  118.371   3.1304  118.663   4.2992  118.043   4.5672  2145.40   38.977  2139.37   41.523 6.031738 56.95058 
1 1 1   12   13   17 o  372.397   35.837   3.4876   0.6302   3.3519   0.7479   3.8199   1.1703  360.558   40.345  384.237   59.241 -23.67923 71.67471 
1 1 1   12   13   19 o  889.348   35.742   20.676   1.5025   21.073   1.8096   19.796   2.6958  904.113   38.930  874.584   59.954 29.52911 71.48401 
1 1 1   12   13   21 o  1954.16   39.988   98.801   4.0150   98.736   5.5790   98.871   5.7825  1953.72   55.543  1954.60   57.543 -0.8869629 79.97583 
1 1 1   12   13   23 o  160.482   35.183   0.6698   0.3057   0.7212   0.3615   0.5410   0.5724  164.120   42.508  156.844   56.075 7.276001 70.36551 
1 1 1   12   13   25 o  1148.73   35.461   34.817   1.9524   36.129   2.3912   32.193   3.3817  1183.23   39.307  1114.24   59.032 68.99243 70.92126 
1 1 1   12   13   27 o  255.593   42.508   1.6882   0.5586   1.6882   0.5586   0.0000   0.0000  255.593   42.508  ?   ?       ?      ? 
1 1 1   12   13   29 o  1166.83   33.476   35.844   1.7293   36.429   2.0006   34.117   3.4389  1188.26   32.748  1145.41   58.397 42.85571 66.95247 
1 1 1   12   13   31 o  1590.19   34.845   65.459   2.6966   64.934   3.3115   66.491   4.6458  1583.49   40.675  1596.88   56.587 -13.38928 69.68922 
1 1 1   12   13   33 o  452.536   32.766   5.1204   0.6733   4.8986   0.7784   5.7796   1.3418  435.028   34.804  470.044   55.525 -35.01648 65.53128 
1 1 1   12   13   35 o  1116.95   35.300   32.336   1.9195   31.718   2.3526   33.568   3.3199  1104.13   41.443  1129.77   57.156 -25.64441 70.60037 
1 1 1   12   13   37 o  762.979   32.659   14.506   1.1290   13.740   1.3014   16.835   2.2696  727.258   34.806  798.700   55.272 -71.44220 65.31794 
1 1 1   12   13   39 o  511.175   42.290   6.8459   1.1114   6.8459   1.1114   0.0000   0.0000  511.175   42.290  ?   ?       ?      ? 
1 1 1   12   13   41 o  816.042   36.863   17.765   1.4510   17.847   1.7743   17.598   2.5210  823.864   41.889  808.220   60.670 15.64417 73.72606 
1 1 1   12   13   43 o  605.302   34.466   9.5209   0.9377   9.2653   1.0833   10.284   1.8725  594.587   35.438  616.016   59.125 -21.42908 68.93177 
1 1 1   12   13   45 o  160.291   37.878   0.6659   0.3488   0.7011   0.4135   0.5790   0.6494  160.362   47.068  160.221   59.358 0.1410828 75.75501 
1 1 1   12   13   47 o  570.828   38.519   8.8252   1.0589   8.7238   1.2893   9.0355   1.8561  571.506   43.879  570.151   63.321 1.355164 77.03843 
1 1 1   12   13   49 o  352.064   44.407   3.3359   0.8038   3.3359   0.8038   0.0000   0.0000  352.064   44.407  ?   ?       ?      ? 
1 1 1   12   13   51 o  591.668   43.966   9.4957   1.3374   9.4957   1.3374   0.0000   0.0000  591.668   43.966  ?   ?       ?      ? 
1 1 1   12   13   53 o  543.088   37.109   7.9415   1.0361   7.9415   1.0361   0.0000   0.0000  543.088   37.109  ?   ?       ?      ? 
1 1 1   12   13   55 o  363.214   42.656   3.8542   0.7236   3.6943   0.8759   4.1979   1.2843  362.590   46.987  363.838   71.207 -1.247711 85.31236 
1 1 1   12   14    0 o  972.682   36.303   24.603   1.7976   24.923   2.6628   24.335   2.4365  978.060   53.316  967.303   49.286 -0.000000 0.000000 
1 1 1   12   14    2 o  1518.71   28.156   59.445   2.1802   58.445   2.8914   60.764   3.3193  1504.40   37.383  1533.02   42.114 -28.61621 56.31287 
1 1 1   12   14    4 o  1288.66   36.238   43.600   2.2921   41.083   3.8032   45.036   2.8725  1257.40   58.830  1319.92   42.329 -62.51550 72.47588 
1 1 1   12   14    6 o  1654.12   34.359   70.419   2.8598   72.766   4.5699   68.908   3.6665  1675.55   53.049  1632.69   43.679 42.86597 68.71756 
1 1 1   12   14    8 o  1284.34   54.208   42.729   3.5794   42.729   3.5794   0.0000   0.0000  1284.34   54.208  ?   ?       ?      ? 
1 1 1   12   14   10 f  2167.07   34.272  121.827   3.6298  122.864   4.4954  119.883   6.1527  2182.21   40.068  2151.93   55.612 30.28076 68.54302 
1 1 1   12   14   12 o  1008.75   29.164   26.300   1.5079   27.006   2.0700   25.503   2.2009  1023.35   39.344  994.153   43.059 29.19672 58.32751 
1 1 1   12   14   14 o  1132.92   36.275   34.195   1.9891   29.883   3.3239   36.601   2.4828  1074.48   60.170  1191.37   40.534 -116.8907 72.54936 
1 1 1   12   14   16 f  784.880   28.630   15.893   1.1532   16.049   1.5883   15.720   1.6770  789.014   39.155  780.745   41.779 8.269287 57.25909 
1 1 1   12   14   18 o  810.244   28.441   16.900   1.1838   16.242   1.6343   17.627   1.7170  793.684   40.050  826.804   40.393 -33.11963 56.88202 
1 1 1   12   14   20 f  1342.88   40.945   46.989   2.8072   51.073   3.8714   42.460   4.0765  1405.49   53.576  1280.28   61.932 125.2145 81.89012 
1 1 1   12   14   22 o  799.865   35.012   16.404   1.3430   16.177   1.6234   16.898   2.3907  791.902   39.874  807.828   57.561 -15.92566 70.02310 
1 1 1   12   14   24 o  847.528   35.830   18.915   1.4495   19.523   1.7662   17.661   2.5370  869.807   39.495  825.248   59.795 44.55865 71.66096 
1 1 1   12   14   26 o  2555.59   56.632  169.400   7.4408  169.400   7.4408   0.0000   0.0000  2555.59   56.632  ?   ?       ?      ? 
1 1 1   12   14   28 o  421.762   39.769   4.9340   0.7569   5.3644   0.9211   4.0390   1.3281  455.684   39.315  387.841   69.142 67.84348 79.53819 
1 1 1   12   14   30 o  333.565   35.682   2.7370   0.5798   2.4460   0.6998   3.3740   1.0352  307.202   44.306  359.929   55.943 -52.72778 71.36330 
1 1 1   12   14   32 f  850.209   35.965   20.210   1.3088   21.529   1.5140   16.310   2.6038  912.587   32.268  787.831   64.285 124.7562 71.92914 
1 1 1   12   14   34 o  460.409   35.150   5.6513   0.7102   5.7616   0.8194   5.3182   1.4236  471.634   33.793  449.185   61.646 22.44897 70.30046 
1 1 1   12   14   36 o  454.239   37.789   5.6274   0.8204   6.0462   1.0149   4.8379   1.3934  481.666   40.983  426.812   63.500 54.85419 75.57713 
1 1 1   12   14   38 o  557.924   42.190   8.1456   1.2102   8.1456   1.2102   0.0000   0.0000  557.924   42.190  ?   ?       ?      ? 
1 1 1   12   14   40 o  112.231   30.355   0.2509   0.2206   0.3124   0.2461   0.0000   0.4971  111.780   36.887  112.681   48.219 -0.9008484 60.70972 
1 1 1   12   14   42 o  334.527   37.270   2.7680   0.5345   2.5373   0.6053   3.5843   1.1388  310.900   37.871  358.154   64.202 -47.25327 74.53956 
1 1 1   12   14   44 o  650.664   32.334   10.322   0.9671   9.2749   1.1155   13.492   1.9408  593.916   36.531  707.412   53.362 -113.4957 64.66850 
1 1 1   12   14   46 o  458.032   44.018   6.6197   0.7840   7.3269   0.9043   4.4791   1.5733  528.237   33.298  387.827   81.496 140.4097 88.03635 
1 1 1   12   14   48 o  360.487   37.029   3.2535   0.6407   2.4220   0.7809   4.9654   1.1205  293.789   53.681  427.185   51.019 -133.3957 74.05798 
1 1 1   12   14   50 o  377.622   48.322   4.1966   0.9094   4.8364   1.2802   3.5449   1.2922  414.139   60.127  341.106   75.663 73.03336 96.64394 
1 1 1   12   14   52 f  313.261   44.599   3.3507   0.6649   4.2058   0.8169   1.6720   1.1446  394.299   40.298  232.223   79.576 162.0764 89.19773 
1 1 1   12   14   54 o  211.699   64.784   1.3783   0.7710   1.3783   0.7710   0.0000   0.0000  211.699   64.784  ?   ?       ?      ? 
1 1 1   12   15    1 o  1223.34   34.205   38.299   2.1196   36.336   2.7414   41.217   3.3423  1185.38   44.982  1261.31   51.541 -75.93188 68.40917 
1 1 1   12   15    3 o  1633.92   35.224   68.670   2.9282   66.191   3.8423   72.105   4.5223  1599.66   46.720  1668.18   52.729 -68.52356 70.44878 
1 1 1   12   15    5 o  1150.49   39.171   34.264   2.3156   35.534   3.3438   33.094   3.2099  1170.92   55.545  1130.06   55.248 40.86511 78.34263 
1 1 1   12   15    7 o  1355.99   41.436   47.462   2.8887   47.462   2.8887   0.0000   0.0000  1355.99   41.436  ?   ?       ?      ? 
1 1 1   12   15    9 o  245.096   41.863   1.6635   0.5555   0.8572   0.8501   2.2645   0.7338  194.145   68.452  296.046   48.212 -101.9011 83.72614 
1 1 1   12   15   11 f  1489.64   29.287   57.229   2.2389   57.059   3.0737   57.421   3.2679  1487.43   40.194  1491.85   42.606 -4.419312 58.57308 
1 1 1   12   15   13 o  770.278   28.973   15.234   1.1446   13.926   1.5646   16.740   1.6789  734.832   41.415  805.725   40.528 -70.89252 57.94576 
1 1 1   12   15   15 o  1115.97   28.710   32.075   1.6447   31.481   2.2549   32.749   2.4041  1105.04   39.689  1126.91   41.495 -21.87024 57.42009 
1 1 1   12   15   17 o  1412.95   28.601   51.486   2.0740   51.605   2.8518   51.352   3.0218  1414.82   39.206  1411.07   41.653 3.742065 57.20197 
1 1 1   12   15   19 o  904.824   38.175   22.360   1.5816   24.075   1.8963   18.441   2.8670  966.343   38.168  843.304   66.125 123.0390 76.35032 
1 1 1   12   15   21 o  1533.81   28.418   60.691   2.2395   60.756   3.1132   60.621   3.2240  1534.76   39.455  1532.86   40.910 1.897217 56.83570 
1 1 1   12   15   23 o  522.613   34.599   6.6781   0.8754   6.0064   1.0505   8.2043   1.5835  482.329   42.363  562.897   54.715 -80.56778 69.19831 
1 1 1   12   15   25 o  687.710   41.246   12.311   1.4515   13.627   2.0477   10.983   2.0577  725.106   54.929  650.313   61.544 74.79303 82.49195 
1 1 1   12   15   27 o  939.039   34.609   22.298   1.5786   21.261   1.9181   24.476   2.7793  907.026   41.132  971.052   55.671 -64.02600 69.21759 
1 1 1   12   15   29 f  835.677   35.546   18.259   1.4345   18.511   1.7579   17.756   2.4821  845.836   40.424  825.518   58.481 20.31708 71.09236 
1 1 1   12   15   31 o  675.516   41.743   11.966   1.4405   13.643   2.0546   10.345   2.0203  722.899   55.282  628.132   62.559 94.76715 83.48523 
1 1 1   12   15   33 o  226.035   38.574   1.2798   0.4284   1.0021   0.5250   1.8335   0.7413  192.548   51.870  259.523   57.110 -66.97539 77.14899 
1 1 1   12   15   35 o  585.533   36.014   8.8683   1.0222   8.6288   1.2452   9.3631   1.7900  575.417   42.090  595.649   58.451 -20.23206 72.02810 
1 1 1   12   15   37 o  249.021   40.540   1.7225   0.4895   1.8209   0.5906   1.5065   0.8750  263.769   43.551  234.273   68.389 29.49542 81.07914 
1 1 1   12   15   39 o  125.617   40.594   0.4025   0.2988   0.4025   0.2988   0.0000   0.0000  125.617   40.594  ?   ?       ?      ? 
1 1 1   12   15   41 o  157.531   40.980   0.5511   0.4306   0.5544   0.5565   0.5462   0.6799  154.130   55.274  160.932   60.515 -6.802353 81.95910 
1 1 1   12   15   43 o  575.383   35.282   8.8757   0.8983   8.8959   1.0374   8.8153   1.7959  582.551   34.638  568.214   61.477 14.33649 70.56304 
1 1 1   12   15   45 o  334.950   39.630   3.0376   0.6232   2.9325   0.7558   3.2606   1.1014  331.745   44.311  338.155   65.718 -6.409851 79.26083 
1 1 1   12   15   47 o  304.216   40.739   2.6496   0.5259   2.7074   0.6021   2.4640   1.0796  319.990   36.601  288.441   72.795 31.54828 81.47836 
1 1 1   12   15   49 o  119.284   40.098   0.3616   0.2906   0.3616   0.2906   0.0000   0.0000  119.284   40.098  ?   ?       ?      ? 
1 1 1   12   15   51 o  279.973   39.160   2.1934   0.4757   2.1530   0.5450   2.3225   0.9743  283.463   37.399  276.482   68.813 6.981781 78.31946 
1 1 1   12   15   53 o  176.668   41.515   0.8465   0.4091   0.7732   0.4833   1.0319   0.7686  164.716   51.439  188.621   65.176 -23.90541 83.02962 
1 1 1   12   15   55 o  751.589   43.575   17.801   1.5052   19.610   1.8499   14.255   2.5893  839.448   42.863  663.730   75.880 175.7179 87.14928 
1 1 1   12   16    0 o  147.837   48.486   0.8353   0.4187   0.6423   0.6911   0.9472   0.5263  132.688   72.020  162.986   64.936 0.000000 0.000000 
1 1 1   12   16    2 o  942.231   28.483   22.863   1.3741   22.376   1.8518   23.460   2.0497  931.236   38.677  953.227   41.824 -21.99091 56.96675 
1 1 1   12   16    4 o  746.252   32.512   14.058   1.1882   13.357   1.4553   15.459   2.0575  719.495   39.343  773.008   51.771 -53.51312 65.02384 
1 1 1   12   16    6 o  755.990   40.020   14.082   1.4034   13.218   1.6375   16.472   2.7239  715.464   44.518  796.515   66.516 -81.05066 80.03918 
1 1 1   12   16    8 o  2127.31   37.972  115.031   3.8732  122.570   6.9508  111.635   4.6646  2174.84   62.164  2079.79   43.624 95.04565 75.94336 
1 1 1   12   16   10 o  1354.16   29.587   47.299   2.0566   47.269   2.8305   47.332   2.9934  1353.83   40.666  1354.48   42.985 -0.6422119 59.17301 
1 1 1   12   16   12 o  1887.11   29.393   92.149   2.8399   96.094   3.8974   87.684   4.1468  1930.64   39.264  1843.58   43.750 87.05579 58.78568 
1 1 1   12   16   14 o  1775.99   29.094   81.528   2.6470   84.001   3.6277   78.712   3.8710  1805.14   39.089  1746.86   43.102 58.27881 58.18726 
1 1 1   12   16   16 o  631.595   28.955   10.265   0.9383   9.9555   1.2800   10.624   1.3797  621.378   40.066  641.812   41.812 -20.43433 57.90962 
1 1 1   12   16   18 o  1855.17   28.615   88.822   2.7241   89.819   3.7507   87.709   3.9630  1866.39   39.088  1843.94   41.803 22.45203 57.23086 
1 1 1   12   16   20 o  1143.09   34.833   33.824   1.9559   33.567   3.2867   33.965   2.4338  1138.82   56.135  1147.36   41.259 -8.535034 69.66679 
1 1 1   12   16   22 o  363.034   30.108   3.4134   0.5489   2.5121   0.7544   4.4271   0.8000  311.777   47.065  414.292   37.560 -102.5147 60.21567 
1 1 1   12   16   24 o  1686.08   34.713   73.259   2.8638   74.491   4.8821   72.612   3.5361  1695.23   56.016  1676.93   41.015 18.29492 69.42614 
1 1 1   12   16   26 o  1085.83   40.058   30.459   2.2362   30.459   2.2362   0.0000   0.0000  1085.83   40.058  ?   ?       ?      ? 
1 1 1   12   16   28 o  704.270   33.873   11.984   1.1674   10.214   1.4114   15.817   2.0769  628.090   43.708  780.450   51.761 -152.3596 67.74651 
1 1 1   12   16   30 o  546.023   41.900   7.7971   1.1725   7.0092   1.6397   8.6216   1.6773  517.410   61.639  574.635   56.773 -57.22424 83.80026 
1 1 1   12   16   32 f  239.332   41.150   1.4694   0.4722   1.3087   0.5661   1.8367   0.8560  219.601   51.103  259.064   64.512 -39.46288 82.30010 
1 1 1   12   16   34 o  591.592   34.748   8.7598   1.0108   7.8916   1.2349   10.523   1.7598  550.195   43.655  632.989   54.075 -82.79333 69.49691 
1 1 1   12   16   36 f  1038.27   36.288   28.529   1.8227   28.851   2.2376   27.895   3.1422  1051.24   41.400  1025.30   59.609 25.94653 72.57554 
1 1 1   12   16   38 o  1090.30   33.894   30.947   1.8999   30.947   1.8999   0.0000   0.0000  1090.30   33.894  ?   ?       ?      ? 
1 1 1   12   16   40 o  735.623   36.127   15.087   1.1598   15.815   1.3477   13.010   2.2769  778.492   33.672  692.754   63.929 85.73804 72.25477 
1 1 1   12   16   42 o  646.321   34.706   10.796   0.9942   10.463   1.1395   11.859   2.0348  631.873   35.075  660.768   59.897 -28.89490 69.41116 
1 1 1   12   16   44 o  684.222   34.297   11.942   1.0479   11.358   1.2009   13.807   2.1452  657.273   35.539  711.171   58.670 -53.89813 68.59482 
1 1 1   12   16   46 o  495.536   35.129   6.4435   0.7791   6.2531   0.8982   7.0220   1.5659  486.853   35.885  504.220   60.403 -17.36685 70.25864 
1 1 1   12   16   48 f  320.852   45.424   2.7770   0.7493   2.7770   0.7493   0.0000   0.0000  320.852   45.424  ?   ?       ?      ? 
1 1 1   12   16   50 o  494.790   45.249   7.4727   0.9882   8.2123   1.2022   5.9317   1.7352  551.221   42.421  438.359   79.940 112.8613 90.49866 
1 1 1   12   16   52 o  164.804   38.163   0.7423   0.3310   0.7574   0.3708   0.6832   0.7341  163.501   43.394  166.106   62.789 -2.604401 76.32550 
1 1 1   12   16   54 o  412.648   43.558   5.1334   0.8219   5.2176   0.9966   4.9544   1.4529  432.707   44.799  392.588   74.714 40.11951 87.11584 
1 1 1   12   17    1 o  1180.82   28.626   36.057   1.7239   36.666   2.3077   35.289   2.5932  1192.42   37.642  1169.22   43.139 23.19263 57.25296 
1 1 1   12   17    3 o  1678.71   26.622   72.842   2.2893   70.274   3.3489   75.096   3.1367  1650.61   39.462  1706.81   35.745 -56.19934 53.24494 
1 1 1   12   17    5 o  1354.52   40.152   47.004   2.3182   46.631   2.6214   48.343   4.9651  1344.82   37.914  1364.22   70.791 -19.39771 80.30451 
1 1 1   12   17    7 o  1439.63   38.945   53.223   2.6582   54.581   4.8266   52.631   3.1847  1451.08   64.696  1428.19   43.373 22.88770 77.88965 
1 1 1   12   17    9 o  422.846   43.698   5.0970   0.8189   3.7610   1.4323   5.7458   0.9982  373.679   77.112  472.012   41.133 -98.33328 87.39646 
1 1 1   12   17   11 o  1158.22   29.462   34.542   1.7520   33.617   2.4041   35.589   2.5584  1141.77   40.955  1174.66   42.364 -32.88660 58.92350 
1 1 1   12   17   13 o  1992.99   29.275  102.538   2.9919  104.053   4.1038  100.819   4.3713  2008.97   39.732  1977.01   43.006 31.96155 58.55032 
1 1 1   12   17   15 o  604.371   29.198   9.3867   0.9056   8.8187   1.2378   10.041   1.3286  584.771   41.170  623.970   41.414 -39.19867 58.39572 
1 1 1   12   17   17 o  1281.73   28.856   42.432   1.8964   43.275   2.6033   41.479   2.7681  1295.50   39.086  1267.97   42.462 27.52441 57.71252 
1 1 1   12   17   19 o  878.686   42.420   20.061   1.8999   20.481   2.5421   19.529   2.8597  889.628   55.579  867.744   64.099 21.88409 84.83914 
1 1 1   12   17   21 o  1084.25   28.652   30.287   1.5958   28.820   2.2062   31.897   2.3110  1056.75   40.608  1111.76   40.432 -55.00391 57.30381 
1 1 1   12   17   23 o  1167.81   35.883   36.127   2.0284   32.708   3.4252   37.973   2.5173  1122.81   59.335  1212.81   40.371 -89.99658 71.76673 
1 1 1   12   17   25 o  404.182   34.582   4.0437   0.6889   3.6244   0.8436   4.8837   1.1938  374.391   43.825  433.973   53.506 -59.58240 69.16312 
1 1 1   12   17   27 o  535.895   29.144   7.4361   0.8021   7.7593   1.1268   7.1041   1.1419  547.808   40.007  523.983   42.390 23.82513 58.28735 
1 1 1   12   17   29 o  1766.75   34.913   79.639   2.9911   76.742   3.6362   85.701   5.2603  1721.05   41.095  1812.45   56.452 -91.40540 69.82555 
1 1 1   12   17   31 o  953.835   41.575   23.918   2.0294   26.608   2.8769   21.254   2.8630  1008.38   55.493  899.293   61.923 109.0836 83.15025 
1 1 1   12   17   33 o  552.982   37.616   8.2315   0.9907   8.6343   1.2120   7.4206   1.7197  576.136   40.917  529.829   63.131 46.30682 75.23113 
1 1 1   12   17   35 o  1012.24   35.374   26.299   1.7472   25.043   2.1337   28.857   3.0440  979.414   42.375  1045.07   56.653 -65.65247 70.74744 
1 1 1   12   17   37 o  802.159   59.823   17.166   2.4672   17.166   2.4672   0.0000   0.0000  802.159   59.823  ?   ?       ?      ? 
1 1 1   12   17   39 o  390.597   45.021   4.5863   0.7725   5.2257   0.9374   3.2328   1.3638  446.149   40.867  335.045   80.234 111.1039 90.04219 
1 1 1   12   17   41 o  479.864   39.390   6.0989   0.8955   5.9450   1.0709   6.4567   1.6327  474.025   43.944  485.703   65.384 -11.67874 78.77921 
1 1 1   12   17   43 f  230.318   37.758   1.5672   0.4027   1.7008   0.4651   1.1671   0.8049  254.441   35.553  206.196   66.624 48.24516 75.51686 
1 1 1   12   17   45 o  196.668   40.193   1.1056   0.4222   1.2040   0.5176   0.9100   0.7297  207.615   49.241  185.721   63.538 21.89404 80.38533 
1 1 1   12   17   47 o  175.212   39.857   0.8011   0.3815   0.7411   0.4541   0.9450   0.7035  164.081   49.612  186.343   62.393 -22.26237 79.71344 
1 1 1   12   17   49 o  184.178   36.531   1.0716   0.3771   1.3284   0.4373   0.3268   0.7446  219.530   40.226  148.826   60.992 70.70325 73.06240 
1 1 1   12   17   51 o  265.923   40.184   2.0410   0.4866   2.0440   0.5683   2.0330   0.9419  274.869   40.215  256.978   69.583 17.89136 80.36784 
1 1 1   12   17   53 o  313.619   37.317   2.5389   0.5158   2.2375   0.5899   3.5178   1.0632  286.142   40.099  341.097   62.947 -54.95575 74.63464 
1 1 1   12   18    0 o  788.374   47.210   16.569   1.8288   17.254   2.3640   15.548   2.8860  811.941   57.285  764.807   75.057 -0.000000 0.000000 
1 1 1   12   18    2 o  1020.89   28.867   26.911   1.5084   27.212   2.0458   26.552   2.2330  1027.32   38.733  1014.45   42.814 12.87842 57.73460 
1 1 1   12   18    4 o  1555.62   39.768   61.211   2.7049   60.002   3.0830   65.255   5.6371  1525.45   39.310  1585.79   69.142 -60.33276 79.53589 
1 1 1   12   18    6 o  866.166   38.565   18.617   1.5907   21.462   2.9398   17.439   1.8915  910.263   62.818  822.068   44.753 88.19476 77.12967 
1 1 1   12   18    8 o  1818.93   30.329   85.329   2.8360   84.030   3.9832   86.665   4.0388  1804.88   42.925  1832.97   42.858 -28.08936 60.65763 
1 1 1   12   18   10 o  1922.52   29.689   95.233   2.9321   93.225   4.0498   97.446   4.2509  1901.32   41.429  1943.73   42.538 -42.40344 59.37858 
1 1 1   12   18   12 o  3552.62   29.471  325.782   5.3698  329.987   7.3699  321.023   7.8401  3577.51   40.069  3527.73   43.227 49.78198 58.94156 
1 1 1   12   18   14 o  1780.15   29.248   81.753   2.6698   82.078   3.6496   81.379   3.9157  1784.18   39.787  1776.12   42.881 8.051147 58.49562 
1 1 1   12   18   16 o  1325.04   29.034   45.148   1.9742   43.094   2.6927   47.535   2.9030  1292.61   40.518  1357.46   41.595 -64.85376 58.06792 
1 1 1   12   18   18 o  721.564   35.819   12.675   1.2128   11.658   1.4216   15.392   2.3246  672.207   41.135  770.921   58.651 -98.71393 71.63838 
1 1 1   12   18   20 o  1044.31   28.825   28.065   1.5453   26.176   2.1246   30.187   2.2516  1007.07   41.035  1081.55   40.492 -74.48175 57.64978 
1 1 1   12   18   22 o  588.495   40.452   8.9804   1.2237   8.8248   1.7364   9.1339   1.7248  583.370   57.893  593.621   56.513 -10.25177 80.90372 
1 1 1   12   18   24 o  2202.70   35.348  127.719   3.7333  131.622   4.5649  119.836   6.4873  2257.51   39.331  2147.90   58.746 109.6099 70.69688 
1 1 1   12   18   26 o  438.696   29.968   5.0118   0.6703   5.6856   0.9412   4.3181   0.9550  469.033   39.031  408.359   45.485 60.67355 59.93594 
1 1 1   12   18   28 o  1703.91   28.851   75.257   2.5253   77.538   3.5371   72.885   3.6064  1730.59   39.755  1677.23   41.822 53.36414 57.70225 
1 1 1   12   18   30 o  369.908   45.320   3.7055   0.8305   4.2958   1.1518   3.0663   1.1985  405.314   55.275  334.502   71.836 70.81223 90.64072 
1 1 1   12   18   32 o  385.938   44.190   4.4838   0.7425   5.2438   0.9028   2.8952   1.3052  449.308   39.081  322.569   79.269 126.7385 88.37946 
1 1 1   12   18   34 o  1303.11   36.133   44.834   2.2675   45.292   2.7706   43.907   3.9461  1318.22   40.881  1288.00   59.592 30.21851 72.26605 
1 1 1   12   18   36 o  400.035   62.417   4.2759   1.2837   4.2759   1.2837   0.0000   0.0000  400.035   62.417  ?   ?       ?      ? 
1 1 1   12   18   38 o  568.601   36.006   7.9271   0.9992   6.6541   1.2036   10.749   1.7919  502.149   46.622  635.053   54.884 -132.9037 72.01286 
1 1 1   12   18   40 o  468.547   45.347   5.9638   1.0907   5.5644   1.4995   6.4125   1.5894  451.759   64.559  485.335   63.698 -33.57596 90.69392 
1 1 1   12   18   42 o  606.846   37.147   10.221   0.9681   10.519   1.1118   9.2880   1.9683  633.507   34.136  580.185   65.988 53.32208 74.29487 
1 1 1   12   18   44 f  575.311   37.998   9.3961   0.9311   9.7982   1.0707   8.1494   1.8852  610.687   34.104  539.936   67.913 70.75067 75.99530 
1 1 1   12   18   46 o  574.844   39.638   9.1742   1.0871   9.3732   1.3257   8.7655   1.8997  591.750   43.574  557.939   66.226 33.81122 79.27540 
1 1 1   12   18   48 o  274.153   36.207   1.7785   0.4345   1.4455   0.4937   2.9242   0.9157  228.263   43.656  320.043   57.776 -91.78021 72.41495 
1 1 1   12   18   50 o  212.045   38.211   1.4025   0.4460   1.7724   0.5476   0.6738   0.7686  255.864   41.630  168.226   64.088 87.63840 76.42216 
1 1 1   12   18   52 o  329.892   43.579   3.4399   0.6045   3.6534   0.6971   2.7925   1.2141  367.869   36.858  291.915   78.980 75.95407 87.15733 
1 1 1   12   18   54 o  204.761   38.467   1.0026   0.4113   0.5209   0.4889   2.1685   0.7606  141.746   51.672  267.777   56.998 -126.0308 76.93317 
1 1 1   12   19    1 f  1336.10   29.044   45.771   1.9834   43.725   2.6423   48.411   3.0021  1302.27   39.464  1369.93   42.624 -67.65820 58.08826 
1 1 1   12   19    3 o  2669.66   31.704  184.071   4.2335  184.616   5.4004  183.202   6.8187  2675.98   39.253  2663.35   49.797 12.63062 63.40768 
1 1 1   12   19    5 o  1632.75   32.520   68.846   2.7090   68.426   4.0850   69.176   3.6193  1627.89   48.809  1637.60   42.988 -9.708496 65.04067 
1 1 1   12   19    7 f  804.712   31.128   16.698   1.2875   17.144   1.8456   16.274   1.7969  815.187   44.037  794.237   44.005 20.94983 62.25565 
1 1 1   12   19    9 o  1375.75   30.246   48.797   2.1387   47.148   2.9926   50.518   3.0575  1351.97   43.054  1399.53   42.493 -47.55164 60.49232 
1 1 1   12   19   11 o  1965.77   29.698   99.697   2.9978  100.361   4.1455   98.969   4.3402  1972.80   40.872  1958.73   43.099 14.06897 59.39678 
1 1 1   12   19   13 o  1799.38   29.534   83.630   2.7245   85.233   3.7363   81.810   3.9814  1818.08   39.972  1780.69   43.489 37.39258 59.06836 
1 1 1   12   19   15 o  642.956   29.824   10.715   0.9804   11.264   1.3407   10.083   1.4374  660.894   39.458  625.017   44.733 35.87726 59.64859 
1 1 1   12   19   17 o  3005.41   38.417  234.346   5.2416  235.095   6.1226  232.291   10.142  3019.00   39.446  2991.83   65.936 27.16675 76.83497 
1 1 1   12   19   19 o  2111.54   35.211  115.691   3.6672  113.874   6.0930  116.723   4.5921  2096.70   56.523  2126.38   42.005 -29.68823 70.42231 
1 1 1   12   19   21 o  899.006   40.154   20.989   1.8474   18.547   2.5949   23.499   2.6308  845.483   59.695  952.529   53.720 -107.0453 80.30800 
1 1 1   12   19   23 o  1310.02   34.615   44.183   2.1958   43.690   2.6803   45.189   3.8291  1300.53   40.086  1319.52   56.443 -18.99414 69.22927 
1 1 1   12   19   25 o  825.132   29.194   17.558   1.2305   14.959   1.6934   20.465   1.7912  760.371   43.317  889.893   39.150 -129.5217 58.38754 
1 1 1   12   19   27 o  2189.83   28.821  124.096   3.2436  121.377   4.5137  126.999   4.6643  2165.12   40.549  2214.53   40.967 -49.41235 57.64190 
1 1 1   12   19   29 o  338.053   40.236   3.0976   0.6229   3.1893   0.7506   2.8946   1.1165  350.570   41.647  325.537   68.858 25.03262 80.47267 
1 1 1   12   19   31 o  228.440   33.816   1.3887   0.4044   0.6193   0.5521   2.2795   0.5941  160.592   55.254  296.289   39.001 -135.6963 67.63220 
1 1 1   12   19   33 o  971.448   35.725   24.129   1.6868   22.906   2.0501   26.691   2.9680  937.160   42.549  1005.74   57.399 -68.57587 71.45011 
1 1 1   12   19   35 o  303.909   69.896   2.5784   1.0693   2.5784   1.0693   0.0000   0.0000  303.909   69.896  ?   ?       ?      ? 
1 1 1   12   19   37 o  616.035   38.648   10.347   1.1258   10.794   1.3685   9.4127   1.9800  641.532   41.491  590.538   65.217 50.99432 77.29620 
1 1 1   12   19   39 o  912.039   40.059   23.701   1.6979   26.233   2.0826   18.682   2.9319  998.740   40.559  825.339   69.094 173.4008 80.11871 
1 1 1   12   19   41 o  495.800   39.796   6.6396   0.9389   6.6321   1.1341   6.6560   1.6743  500.054   44.111  491.547   66.251 8.506775 79.59247 
1 1 1   12   19   43 o  653.749   38.596   11.446   1.2113   11.189   1.4661   11.999   2.1499  648.289   43.987  659.210   63.434 -10.92120 77.19285 
1 1 1   12   19   45 o  105.697   31.639   0.0353   0.1971   0.0000   0.2093   0.3117   0.5858   73.421   31.349  137.972   54.967 -64.55190 63.27822 
1 1 1   12   19   47 o  355.561   36.215   3.3545   0.6620   3.3545   0.6620   0.0000   0.0000  355.561   36.215  ?   ?       ?      ? 
1 1 1   12   19   49 o  312.856   45.457   3.3132   0.6820   4.1283   0.8346   1.6750   1.1832  391.022   41.516  234.689   80.881 156.3336 90.91348 
1 1 1   12   19   51 o  764.857   36.186   15.642   1.2330   14.878   1.4148   18.053   2.5146  743.172   37.028  786.541   62.183 -43.36871 72.37292 
1 1 1   12   19   53 o  166.691   37.961   0.6915   0.3173   0.5883   0.3571   1.0786   0.6918  144.292   44.079  189.090   61.815 -44.79836 75.92129 
1 1 1   12   20    0 o  677.121   74.346   12.264   2.5087   0.0000   0.0000   12.264   2.5087  677.121   74.346  677.121   74.346 -0.000000 0.000000 
1 1 1   12   20    2 f  1857.79   42.645   89.182   3.7763   88.950   4.5536   89.694   6.7579  1856.25   47.714  1859.32   70.694 -3.076416 85.28976 
1 1 1   12   20    4 o  3453.06   37.994  302.266   5.6722  319.111   11.988  297.407   6.4386  3509.01   66.447  3397.12   36.865 111.8943 75.98855 
1 1 1   12   20    6 o  878.102   32.005   19.986   1.4371   18.808   2.1051   21.015   1.9668  853.545   47.971  902.658   42.381 -49.11328 64.01022 
1 1 1   12   20    8 o  2250.75   30.944  130.775   3.5783  126.506   5.0922  134.940   5.0295  2214.25   44.731  2287.24   42.770 -72.98828 61.88813 
1 1 1   12   20   10 o  156.621   34.236   0.6409   0.3119   0.8060   0.4001   0.3850   0.4981  173.484   44.608  139.758   51.947 33.72638 68.47162 
1 1 1   12   20   12 o  1762.52   36.550   78.609   3.1548   85.695   5.4533   75.044   3.8678  1819.72   58.289  1705.32   44.115 114.4005 73.10079 
1 1 1   12   20   14 o  1838.19   29.471   87.279   2.7770   88.621   3.8013   85.743   4.0668  1853.64   39.887  1822.74   43.397 30.90271 58.94298 
1 1 1   12   20   16 o  990.203   39.115   25.359   1.7493   25.341   2.0354   25.411   3.4211  991.118   39.945  989.288   67.262 1.829529 78.22937 
1 1 1   12   20   18 o  261.377   39.459   1.7926   0.5045   2.0602   0.8131   1.6250   0.6433  276.765   58.951  245.989   52.467 30.77553 78.91795 
1 1 1   12   20   20 o  563.896   40.744   8.2630   1.1712   6.9332   1.6336   9.6692   1.6800  516.777   61.485  611.015   53.478 -94.23785 81.48856 
1 1 1   12   20   22 o  849.939   28.920   18.605   1.2615   17.216   1.7331   20.170   1.8397  816.264   41.298  883.614   40.496 -67.34967 57.83963 
1 1 1   12   20   24 o  838.680   29.192   18.147   1.2573   17.130   1.7333   19.277   1.8265  813.912   41.421  863.447   41.145 -49.53497 58.38338 
1 1 1   12   20   26 o  1141.38   29.294   33.921   1.7091   37.199   2.3819   30.443   2.4539  1199.07   38.638  1083.69   44.043 115.3811 58.58890 
1 1 1   12   20   28 o  675.167   36.734   11.714   1.1790   11.438   1.4120   12.348   2.1425  664.012   41.360  686.321   60.720 -22.30951 73.46834 
1 1 1   12   20   30 o  311.496   39.161   2.5945   0.5887   2.5606   0.9718   2.6142   0.7399  306.212   63.799  316.781   45.430 -10.56863 78.32104 
1 1 1   12   20   32 o  364.384   32.145   3.5069   0.5912   4.2707   0.8372   2.7471   0.8350  405.040   40.203  323.728   50.169 81.31146 64.29053 
1 1 1   12   20   34 o  488.134   36.282   6.0237   0.8717   7.1589   1.5114   5.4578   1.0671  519.928   56.541  456.340   45.483 63.58862 72.56419 
1 1 1   12   20   36 o  638.008   37.238   10.871   1.1465   11.029   1.4060   10.556   1.9804  648.491   42.171  627.525   61.385 20.96606 74.47510 
1 1 1   12   20   38 o  152.235   38.113   0.5651   0.3477   0.6487   0.3953   0.2796   0.7308  155.383   46.133  149.087   60.681 6.296341 76.22674 
1 1 1   12   20   40 o  185.828   44.144   0.7650   0.5231   0.2831   0.6835   1.4466   0.8128  145.030   58.813  226.626   65.847 -81.59590 88.28863 
1 1 1   12   20   42 f  294.250   42.069   2.1285   0.5637   1.7137   0.6561   3.2977   1.1017  247.736   53.109  340.763   65.258 -93.02631 84.13808 
1 1 1   12   20   44 o  441.948   47.379   6.1474   0.9005   7.1861   1.0992   4.0285   1.5700  519.903   41.124  363.992   85.370 155.9114 94.75872 
1 1 1   12   20   46 o  305.114   68.177   2.7367   1.0425   2.7367   1.0425   0.0000   0.0000  305.114   68.177  ?   ?       ?      ? 
1 1 1   12   20   48 o  268.506   42.519   2.4305   0.5096   2.7333   0.5757   1.3352   1.0950  320.678   34.920  216.334   77.538 104.3443 85.03832 
1 1 1   12   20   50 o  185.404   38.422   1.1378   0.4068   1.3819   0.4483   0.0000   0.9679  222.865   40.618  147.943   65.232 74.92189 76.84421 
1 1 1   12   20   52 o  144.905   37.123   0.4812   0.3124   0.4103   0.3562   0.7168   0.6496  126.451   44.334  163.360   59.556 -36.90935 74.24599 
1 1 1   12   21    1 o  1455.37   50.395   55.044   3.7627   59.054   5.3143   51.013   5.3283  1509.12   68.494  1401.62   73.941 107.5009 100.7903 
1 1 1   12   21    3 f  160.646   37.965   0.6237   0.3261   0.4965   0.7188   0.6567   0.3659  164.019   62.098  157.273   43.693 6.746033 75.92950 
1 1 1   12   21    5 o  2887.78   32.219  215.336   4.7584  213.903   7.0900  216.511   6.4187  2878.44   47.909  2897.12   43.093 -18.67383 64.43862 
1 1 1   12   21    7 o  1954.39   31.495   98.429   3.1610  101.114   4.6043   96.036   4.3473  1979.44   45.243  1929.33   43.827 50.11951 62.98997 
1 1 1   12   21    9 o  1747.72   30.766   78.818   2.7642   77.814   3.9197   79.812   3.8986  1736.58   43.903  1758.85   43.113 -22.26660 61.53225 
1 1 1   12   21   11 o  2158.99   30.307  120.299   3.3623  121.288   4.6911  119.254   4.8215  2168.26   42.081  2149.71   43.625 18.55151 60.61320 
1 1 1   12   21   13 o  166.084   33.536   0.7084   0.3079   0.4815   0.4206   0.9703   0.4519  142.085   48.240  190.083   46.601 -47.99831 67.07237 
1 1 1   12   21   15 o  1223.30   29.789   38.768   1.8651   40.570   2.5581   36.723   2.7251  1254.03   39.677  1192.57   44.445 61.46497 59.57841 
1 1 1   12   21   17 o  1513.56   67.112   59.541   5.2224   0.0000   0.0000   59.541   5.2224  ?   ?   1513.56   67.112      ?      ? 
1 1 1   12   21   19 o  1381.94   40.197   49.656   2.8433   55.022   4.0222   44.296   4.0198  1457.42   53.679  1306.46   59.847 150.9618 80.39332 
1 1 1   12   21   21 o  426.601   30.141   4.6611   0.6577   4.0997   0.8861   5.3498   0.9815  398.222   43.281  454.981   41.960 -56.75882 60.28181 
1 1 1   12   21   23 o  596.371   29.670   9.1499   0.9057   8.0276   1.2368   10.448   1.3301  557.032   43.186  635.709   40.695 -78.67676 59.33905 
1 1 1   12   21   25 o  955.712   29.108   23.588   1.4283   22.187   1.9638   25.161   2.0812  925.648   41.264  985.776   41.065 -60.12793 58.21588 
1 1 1   12   21   27 o  786.216   29.340   16.022   1.1852   15.698   1.6408   16.376   1.7137  777.985   41.022  794.445   41.958 -16.45996 58.67911 
1 1 1   12   21   29 o  143.059   38.328   0.3971   0.3748   0.4631   0.4551   0.2580   0.6604  142.023   50.085  144.095   58.030 -2.072342 76.65510 
1 1 1   12   21   31 o  385.426   31.647   3.9001   0.6086   2.7665   0.8373   5.1697   0.8861  324.943   50.120  445.909   38.652 -120.9652 63.29310 
1 1 1   12   21   33 o  423.240   37.095   4.4598   0.7743   5.6731   1.3465   3.8602   0.9465  463.011   56.563  383.470   48.010 79.54080 74.19079 
1 1 1   12   21   35 o  413.904   31.250   4.4896   0.6638   4.1269   0.9184   4.8864   0.9605  396.259   45.079  431.549   43.291 -35.28967 62.49976 
1 1 1   12   21   37 o  311.336   44.359   2.8286   0.6376   3.0830   0.7659   2.2545   1.1506  342.077   43.547  280.594   77.294 61.48294 88.71711 
1 1 1   12   21   39 o  291.720   47.479   2.4637   0.6984   2.8085   0.9378   2.0343   1.0466  317.516   59.636  265.923   73.897 51.59253 94.95866 
1 1 1   12   21   41 o  405.953   39.313   4.3502   0.7683   4.1435   0.9269   4.8039   1.3733  394.321   45.723  417.585   63.965 -23.26346 78.62624 
1 1 1   12   21   43 f  556.022   42.242   9.0459   1.0657   9.9143   1.2862   7.1439   1.9035  611.055   40.941  500.990   73.901 110.0647 84.48365 
1 1 1   12   21   45 o  400.000   65.167   4.5082   1.3402   4.5082   1.3402   0.0000   0.0000  400.000   65.167  ?   ?       ?      ? 
1 1 1   12   21   47 o  242.223   44.319   1.7246   0.5185   1.7488   0.6082   1.6603   0.9916  249.204   49.218  235.241   73.717 13.96294 88.63717 
1 1 1   12   21   49 o  293.509   43.910   2.3598   0.5944   2.0698   0.7015   3.0985   1.1195  268.479   52.702  318.540   70.248 -50.06027 87.81905 
1 1 1   12   21   51 o  294.581   42.042   2.2453   0.5143   2.0168   0.5720   3.2100   1.1751  271.542   40.969  317.620   73.428 -46.07776 84.08369 
1 1 1   12   22    0 o  1619.34   47.160   67.960   3.8679   68.533   5.9354   67.537   5.0994  1624.21   71.392  1614.48   61.639 0.000000 0.000000 
1 1 1   12   22    2 o  935.633   29.815   22.411   1.4285   20.655   1.9195   24.591   2.1387  894.892   41.720  976.375   42.605 -81.48303 59.62982 
1 1 1   12   22    4 o  1325.22   27.299   45.234   1.8541   45.786   2.7401   44.768   2.5182  1332.54   39.996  1317.91   37.165 14.62158 54.59772 
1 1 1   12   22    6 o  508.222   30.077   6.6281   0.7834   6.2327   1.0580   7.1081   1.1657  491.559   41.862  524.886   43.197 -33.32709 60.15333 
1 1 1   12   22    8 o  1786.53   31.586   82.534   2.8944   79.458   4.1889   85.345   4.0039  1754.32   46.444  1818.73   42.820 -64.41919 63.17109 
1 1 1   12   22   10 o  1172.15   30.836   35.459   1.8583   35.681   2.6316   35.239   2.6244  1175.81   43.533  1168.49   43.686 7.326416 61.67273 
1 1 1   12   22   12 o  1270.88   30.301   41.643   1.9788   40.061   2.7488   43.344   2.8509  1245.85   42.915  1295.92   42.789 -50.06494 60.60209 
1 1 1   12   22   14 o  1609.49   29.907   66.932   2.4694   67.926   3.3972   65.818   3.5958  1622.41   40.728  1596.56   43.806 25.84998 59.81441 
1 1 1   12   22   16 o  1768.37   68.667   81.334   6.2430   0.0000   0.0000   81.334   6.2430  ?   ?   1768.37   68.667      ?      ? 
1 1 1   12   22   18 o  522.753   35.453   7.1451   0.8995   7.2994   1.1097   6.8495   1.5358  531.679   40.596  513.828   58.135 17.85034 70.90611 
1 1 1   12   22   20 o  290.310   33.958   2.2106   0.4786   1.4379   0.6446   3.1598   0.7145  230.867   55.079  349.754   39.735 -118.8869 67.91624 
1 1 1   12   22   22 f  604.138   30.013   9.4712   0.9278   9.8013   1.2661   9.0883   1.3636  615.756   39.993  592.520   44.763 23.23621 60.02668 
1 1 1   12   22   24 o  845.712   29.344   18.498   1.2742   18.076   1.7500   18.975   1.8589  835.560   40.738  855.864   42.247 -20.30365 58.68875 
1 1 1   12   22   26 o  552.295   30.204   7.9711   0.8513   8.8510   1.1852   7.0332   1.2236  584.387   39.446  520.202   45.751 64.18561 60.40799 
1 1 1   12   22   28 o  469.162   50.418   6.3370   1.0974   8.5351   1.4936   3.7584   1.6177  571.570   50.827  366.754   87.089 204.8160 100.8363 
1 1 1   12   22   30 o  790.550   29.693   16.316   1.2038   17.019   1.6694   15.554   1.7375  808.782   40.147  772.318   43.758 36.46356 59.38511 
1 1 1   12   22   32 o  716.242   37.187   13.769   1.2905   12.708   2.1818   14.340   1.6006  691.461   61.372  741.023   42.012 -49.56183 74.37384 
1 1 1   12   22   34 o  230.656   40.419   1.3737   0.4660   1.0770   0.5804   1.9119   0.7817  198.407   54.994  262.905   59.250 -64.49748 80.83818 
1 1 1   12   22   36 o  522.830   31.609   7.2066   0.8370   5.6757   1.1530   8.9117   1.2169  462.987   48.439  582.672   40.621 -119.6852 63.21725 
1 1 1   12   22   38 o  1087.35   36.770   30.640   1.9358   28.803   2.3410   34.611   3.4425  1043.72   43.626  1130.99   59.203 -87.27173 73.54054 
1 1 1   12   22   40 o  269.802   41.623   1.9232   0.5256   1.7147   0.6268   2.4167   0.9643  248.767   50.730  290.837   66.004 -42.06952 83.24689 
1 1 1   12   22   42 o  706.701   39.040   13.540   1.3201   13.459   1.6004   13.711   2.3353  710.648   43.803  702.755   64.637 7.892578 78.08050 
1 1 1   12   22   44 o  200.516   42.307   1.1771   0.5484   1.7811   0.6746   0.0000   0.9418  251.163   53.860  149.870   65.258 101.2932 84.61361 
1 1 1   12   22   46 o  150.426   38.008   0.5244   0.3364   0.4756   0.3903   0.6655   0.6635  136.313   46.469  164.540   60.159 -28.22711 76.01676 
1 1 1   12   22   48 o  329.181   48.375   3.5705   0.7354   4.0620   0.8774   2.4091   1.3488  386.195   44.187  272.167   86.069 114.0279 96.74918 
1 1 1   12   22   50 o  122.968   32.154   0.1894   0.2568   0.0000   0.2999   0.7100   0.4973   86.526   37.250  159.411   52.422 -72.88427 64.30860 
1 1 1   12   22   52 o  352.872   46.586   4.5310   0.6809   5.1955   0.7880   2.5733   1.3525  437.877   35.002  267.868   86.348 170.0089 93.17245 
1 1 1   12   23    1 o  472.943   30.912   5.7395   0.7470   5.4995   0.9943   6.0506   1.1319  461.728   41.885  484.157   45.472 -22.42838 61.82302 
1 1 1   12   23    3 o  1820.38   27.511   85.393   2.5688   86.172   3.7708   84.718   3.5091  1827.95   40.123  1812.81   37.650 15.13684 55.02219 
1 1 1   12   23    5 o  1924.53   27.396   95.635   2.6997   93.957   3.9826   97.062   3.6720  1908.60   40.587  1940.46   36.807 -31.86206 54.79113 
1 1 1   12   23    7 o  1110.51   29.520   31.855   1.6750   32.163   2.2536   31.474   2.5038  1116.76   39.251  1104.26   44.103 12.49854 59.03991 
1 1 1   12   23    9 o  1482.20   31.431   56.659   2.3938   58.446   3.4575   55.014   3.3175  1504.59   44.696  1459.81   44.203 44.78149 62.86211 
1 1 1   12   23   11 o  1278.74   30.849   42.217   2.0280   42.490   2.8620   41.942   2.8742  1282.92   43.391  1274.57   43.862 8.352295 61.69801 
1 1 1   12   23   13 o  1826.79   36.769   87.315   3.2945   83.020   5.4902   89.731   4.1184  1789.42   59.677  1864.17   42.970 -74.75562 73.53789 
1 1 1   12   23   15 o  1141.49   57.412   33.777   3.3694   33.777   3.3694   0.0000   0.0000  1141.49   57.412  ?   ?       ?      ? 
1 1 1   12   23   17 o  1386.86   40.781   50.178   2.8912   45.172   4.1562   54.871   4.0245  1318.65   61.306  1455.08   53.796 -136.4398 81.56229 
1 1 1   12   23   19 f  756.318   29.846   14.684   1.1563   13.211   1.5659   16.449   1.7147  714.881   42.606  797.756   41.807 -82.87524 59.69218 
1 1 1   12   23   21 o  906.460   30.002   21.376   1.3891   22.612   1.8962   19.945   2.0407  935.280   39.435  877.640   45.226 57.63965 60.00383 
1 1 1   12   23   23 o  526.455   30.327   7.2274   0.8151   7.7157   1.1149   6.6666   1.1948  545.979   39.717  506.931   45.842 39.04822 60.65458 
1 1 1   12   23   25 f  613.739   30.077   9.7489   0.9475   9.3110   1.2961   10.252   1.3888  599.036   42.083  628.443   42.983 -29.40619 60.15387 
1 1 1   12   23   27 o  175.983   39.959   0.8126   0.3940   0.9097   0.4621   0.5538   0.7544  183.478   48.318  168.488   63.658 14.98985 79.91884 
1 1 1   12   23   29 o  369.902   30.853   3.5535   0.5856   3.3233   0.7994   3.8200   0.8602  357.035   43.552  382.770   43.713 -25.73422 61.70580 
1 1 1   12   23   31 o  524.415   37.909   7.3848   0.9660   6.8077   1.6231   7.7013   1.2020  505.937   62.400  542.893   43.064 -36.95541 75.81722 
1 1 1   12   23   33 o  280.807   41.742   2.5261   0.5879   3.3858   0.7301   0.9401   0.9916  359.973   39.450  201.641   73.575 158.3317 83.48352 
1 1 1   12   23   35 o  249.958   37.588   1.7248   0.4676   1.7902   0.6432   1.6516   0.6809  255.670   50.723  244.245   55.484 11.42412 75.17526 
1 1 1   12   23   37 o  658.671   30.358   11.450   1.0278   11.229   1.4375   11.682   1.4702  652.171   42.873  665.172   42.991 -13.00085 60.71502 
1 1 1   12   23   39 o  927.192   37.283   22.982   1.6891   23.621   2.8848   22.648   2.0835  930.576   60.296  923.809   43.868 6.766907 74.56586 
1 1 1   12   23   41 o  320.843   42.572   2.7649   0.6259   2.6172   0.7389   3.1400   1.1777  312.950   45.923  328.737   71.698 -15.78735 85.14413 
1 1 1   12   23   43 o  153.059   41.884   0.4640   0.4723   0.5853   0.6447   0.3234   0.6939  159.462   59.133  146.656   59.333 12.80630 83.76840 
1 1 1   12   23   45 o  339.696   45.547   3.4279   0.7176   3.6323   0.8733   3.0028   1.2594  366.250   46.378  313.143   78.404 53.10623 91.09383 
1 1 1   12   23   47 o  409.220   49.200   5.4251   0.8806   6.1913   1.0670   3.7890   1.5592  477.724   43.443  340.716   88.291 137.0083 98.39973 
1 1 1   12   23   49 o  205.660   43.337   0.9354   0.4521   0.5668   0.5169   2.1351   0.9325  148.584   53.269  262.736   68.372 -114.1525 86.67427 
1 1 1   12   23   51 o  407.432   47.754   5.3379   0.8724   5.7878   1.0635   4.4125   1.5254  455.143   45.450  359.720   84.001 95.42310 95.50866 
1 1 1   12   24    0 o  100.748   42.009   0.1883   0.3580   0.5751   0.6256   0.0000   0.4365  125.844   68.454   75.653   48.715 0.000000 0.000000 
1 1 1   12   24    2 o  1507.27   30.335   58.715   2.3322   59.338   3.1178   57.924   3.5139  1516.75   39.983  1497.80   45.632 18.95007 60.67001 
1 1 1   12   24    4 o  1021.60   27.668   26.885   1.4493   27.333   2.1375   26.504   1.9717  1029.35   40.389  1013.84   37.826 15.51117 55.33632 
1 1 1   12   24    6 o  759.824   30.083   14.797   1.1693   12.889   1.5880   17.055   1.7281  706.628   43.712  813.019   41.343 -106.3909 60.16599 
1 1 1   12   24    8 o  729.231   32.664   13.820   1.2165   12.758   1.7808   14.749   1.6658  702.565   49.301  755.896   42.863 -53.33081 65.32803 
1 1 1   12   24   10 o  1209.59   31.706   37.979   1.9607   33.887   2.8024   41.903   2.7443  1145.08   47.602  1274.11   41.894 -129.0292 63.41232 
1 1 1   12   24   12 o  795.239   38.434   16.685   1.4744   15.452   2.5232   17.324   1.8168  771.436   63.618  819.041   43.146 -47.60553 76.86842 
1 1 1   12   24   14 o  804.077   59.590   16.776   2.4634   16.776   2.4634   0.0000   0.0000  804.077   59.590  ?   ?       ?      ? 
1 1 1   12   24   16 o  2533.52   36.579  165.970   4.5605  167.437   7.6630  165.166   5.6748  2539.33   58.696  2527.71   43.667 11.61987 73.15784 
1 1 1   12   24   18 o  606.040   30.556   9.5142   0.9488   9.7280   1.2983   9.2692   1.3901  613.523   41.160  598.556   45.171 14.96771 61.11114 
1 1 1   12   24   20 f  1692.82   29.619   74.106   2.5705   73.652   3.5010   74.638   3.7863  1687.59   40.351  1698.05   43.371 -10.46667 59.23886 
1 1 1   12   24   22 o  562.191   30.677   8.2528   0.8797   8.8706   1.2025   7.5415   1.2903  585.348   39.957  539.034   46.559 46.31421 61.35349 
1 1 1   12   24   24 o  666.769   30.134   11.488   1.0307   10.643   1.4048   12.473   1.5168  640.331   42.672  693.208   42.560 -52.87683 60.26784 
1 1 1   12   24   26 o  694.932   30.071   12.569   1.0721   12.783   1.4761   12.331   1.5596  701.478   40.930  688.386   44.067 13.09131 60.14250 
1 1 1   12   24   28 f  827.923   37.078   18.345   1.4948   16.767   2.4961   19.227   1.8665  796.687   60.939  859.158   42.257 -62.47040 74.15661 
1 1 1   12   24   30 o  348.842   37.489   3.0706   0.6448   3.6848   1.1149   2.7618   0.7904  373.097   58.123  324.587   47.366 48.50961 74.97833 
1 1 1   12   24   32 o  545.342   35.652   7.6939   0.9469   7.3813   1.1560   8.3315   1.6509  530.909   42.351  559.775   57.364 -28.86566 71.30436 
1 1 1   12   24   34 f  255.052   34.900   1.8064   0.4443   0.9725   0.6203   2.6849   0.6367  189.858   58.111  320.246   38.669 -130.3879 69.80082 
1 1 1   12   24   36 o  279.514   34.886   2.1120   0.4898   1.9633   0.6932   2.2601   0.6921  266.954   52.382  292.074   46.090 -25.11990 69.77158 
1 1 1   12   24   38 o  857.520   44.464   20.193   1.9535   21.226   2.7065   19.069   2.8225  883.157   59.608  831.882   65.993 51.27484 88.92825 
1 1 1   12   24   40 o  493.914   31.573   6.5043   0.8012   6.5924   1.1184   6.4114   1.1485  497.718   43.705  490.109   45.579 7.608124 63.14700 
1 1 1   12   24   42 f  146.634   36.666   0.4108   0.3330   0.8664   0.5994   0.2074   0.4005  178.455   57.478  114.813   45.540 63.64269 73.33173 
1 1 1   12   24   44 o   94.988   40.776   0.0000   0.3575   0.0000   0.3575   0.0000   0.0000   94.988   40.776  ?   ?       ?      ? 
1 1 1   12   24   46 o  289.591   45.121   2.2535   0.6050   1.9211   0.7124   3.1133   1.1458  258.309   55.312  320.873   71.303 -62.56412 90.24191 
1 1 1   12   24   48 o  184.284   44.104   0.9522   0.5363   1.3743   0.7010   0.3567   0.8327  214.629   60.776  153.939   63.929 60.68977 88.20757 
1 1 1   12   24   50 o  165.657   44.392   0.7010   0.5116   0.6781   0.6571   0.7362   0.8150  160.994   59.699  170.320   65.717 -9.325302 88.78458 
1 1 1   12   25    1 o  2147.71   33.383  119.182   3.6834  118.711   5.3071  119.621   5.1163  2143.39   48.160  2152.02   46.242 -8.633057 66.76652 
1 1 1   12   25    3 o  485.447   30.894   6.0080   0.7622   4.8511   1.0223   7.4558   1.1437  433.382   45.882  537.513   41.385 -104.1302 61.78883 
1 1 1   12   25    5 f  636.906   28.409   10.525   0.9235   9.8907   1.3660   11.058   1.2533  618.975   42.924  654.836   37.226 -35.86108 56.81804 
1 1 1   12   25    7 o  776.263   33.881   15.660   1.3370   14.960   2.0232   16.202   1.7815  760.447   51.748  792.079   43.746 -31.63232 67.76164 
1 1 1   12   25    9 o  1318.55   40.296   45.517   2.5001   43.876   4.5273   46.237   2.9989  1299.09   67.785  1338.00   43.594 -38.90894 80.59286 
1 1 1   12   25   11 o  728.517   42.634   13.808   1.5786   13.514   2.4077   14.030   2.0906  721.164   64.939  735.870   55.258 -14.70642 85.26772 
1 1 1   12   25   13 o  198.178   51.517   1.0547   0.5298   1.0547   0.5298   0.0000   0.0000  198.178   51.517  ?   ?       ?      ? 
1 1 1   12   25   15 o  1427.08   43.824   52.658   3.2154   0.0000   0.0000   52.658   3.2154  ?   ?   1427.08   43.824      ?      ? 
1 1 1   12   25   17 o  459.068   31.171   5.4533   0.7343   5.4762   1.0096   5.4276   1.0701  460.183   42.673  457.953   45.448 2.229828 62.34209 
1 1 1   12   25   19 o  871.611   29.981   19.667   1.3405   19.694   1.8367   19.636   1.9610  872.446   40.947  870.775   43.802 1.671265 59.96122 
1 1 1   12   25   21 o  386.220   31.522   3.9005   0.6206   4.2226   0.8494   3.5315   0.9091  403.742   40.919  368.699   47.959 35.04318 63.04347 
1 1 1   12   25   23 o  421.930   31.510   4.5998   0.6816   4.2497   0.9237   5.0182   1.0098  404.420   44.427  439.440   44.696 -35.01965 63.01965 
1 1 1   12   25   25 o  496.600   30.978   6.4153   0.7875   6.3975   1.0648   6.4367   1.1699  496.118   41.746  497.082   45.779 -0.9641113 61.95557 
1 1 1   12   25   27 o  308.302   49.110   2.7370   0.7728   3.3673   0.9984   1.7949   1.2205  358.018   54.242  258.586   81.885 99.43173 98.22090 
1 1 1   12   25   29 o  227.193   40.655   1.5450   0.5237   0.4302   0.9097   2.0976   0.6405  171.125   68.391  283.260   43.978 -112.1350 81.30994 
1 1 1   12   25   31 o  642.863   35.844   10.751   1.1253   10.420   1.3806   11.407   1.9421  630.766   42.574  654.959   57.676 -24.19312 71.68729 
1 1 1   12   25   33 f  254.426   43.581   1.7738   0.5426   1.9006   0.9302   1.7084   0.6680  259.867   68.612  248.985   53.755 10.88205 87.16165 
1 1 1   12   25   35 o  1528.79   30.066   61.707   2.3597   64.086   3.2962   59.205   3.3796  1560.33   41.090  1497.25   43.903 63.07495 60.13229 
1 1 1   12   25   37 f  586.292   37.775   8.7490   1.0780   7.7992   1.3007   10.833   1.9266  541.276   46.740  631.308   59.357 -90.03174 75.55089 
1 1 1   12   25   39 o  217.486   35.572   1.2663   0.3952   0.8403   0.5188   1.8550   0.6099  175.210   53.042  259.763   47.412 -84.55252 71.14322 
1 1 1   12   25   41 f  455.689   31.657   5.5477   0.7393   4.9717   1.0258   6.1703   1.0665  430.469   46.348  480.910   43.133 -50.44186 63.31362 
1 1 1   12   25   43 o  786.582   38.072   16.935   1.4460   16.848   1.7685   17.113   2.5114  792.259   43.419  780.905   62.553 11.35425 76.14500 
1 1 1   12   25   45 o  286.894   45.593   2.5104   0.6170   2.6783   0.7304   2.0919   1.1531  314.076   45.230  259.713   79.178 54.36261 91.18597 
1 1 1   12   25   47 o  180.923   45.154   0.9087   0.5218   1.0202   0.6566   0.7176   0.8596  187.887   60.121  173.960   67.387 13.92708 90.30800 
1 1 1   12   25   49 o  163.558   41.320   0.6987   0.3956   0.6864   0.4519   0.7391   0.8180  155.964   49.875  171.151   65.894 -15.18700 82.64089 
1 1 1   12   26    0 o  3273.55   63.496  277.125   10.677   0.0000   0.0000  277.125   10.677  3273.55   63.496  3273.55   63.496 0.000000 0.000000 
1 1 1   12   26    2 o  575.933   39.344   8.5887   1.1471   8.5778   1.4968   8.6042   1.7857  575.865   50.555  576.000   60.300 -0.1340942 78.68886 
1 1 1   12   26    4 o  1788.27   33.603   82.386   3.0701   85.064   4.6384   80.299   4.0957  1813.57   49.746  1762.97   45.187 50.59863 67.20546 
1 1 1   12   26    6 o  1460.26   37.598   54.903   2.8150   50.596   3.8214   60.013   4.1625  1397.99   53.168  1522.53   53.176 -124.5436 75.19691 
1 1 1   12   26    8 o  380.651   39.171   3.7699   0.7629   3.9692   1.0478   3.5450   1.1131  391.580   52.044  369.721   58.556 21.85968 78.34151 
1 1 1   12   26   10 o  1286.39   36.101   42.820   2.3548   42.710   3.0842   42.973   3.6465  1285.16   46.678  1287.61   55.084 -2.455566 72.20125 
1 1 1   12   26   12 o  602.737   45.722   9.8653   1.2430   10.373   1.4668   8.5734   2.3409  633.317   45.049  572.158   79.578 61.15918 91.44472 
1 1 1   12   26   14 o  444.464   40.776   5.3459   0.8634   4.5157   1.4705   5.7826   1.0666  416.061   68.744  472.868   43.874 -56.80676 81.55178 
1 1 1   12   26   16 o  1179.72   30.509   35.917   1.8479   33.610   2.5452   38.488   2.6873  1139.72   43.437  1219.73   42.854 -80.00830 61.01823 
1 1 1   12   26   18 o  2248.12   30.065  130.539   3.4702  124.347   4.7584  137.574   5.0718  2191.43   42.234  2304.81   42.801 -113.3806 60.13013 
1 1 1   12   26   20 o  1429.18   29.829   52.672   2.1857   48.118   2.9742   58.020   3.2229  1362.28   42.465  1496.07   41.902 -133.7867 59.65751 
1 1 1   12   26   22 o  1036.85   30.015   27.939   1.5954   28.257   2.1826   27.574   2.3380  1043.61   40.679  1030.08   44.147 13.53613 60.03085 
1 1 1   12   26   24 o  144.261   34.648   0.4851   0.3047   0.3832   0.3980   0.6294   0.4738  130.967   46.766  157.555   51.136 -26.58812 69.29604 
1 1 1   12   26   26 o  773.605   44.390   15.507   1.7462   13.521   2.2761   18.347   2.7223  714.990   61.918  832.220   63.624 -117.2297 88.78026 
1 1 1   12   26   28 o  1268.89   36.728   42.463   2.2958   42.045   3.8245   42.699   2.8706  1259.68   59.053  1278.10   43.686 -18.42371 73.45573 
1 1 1   12   26   30 o  1296.74   35.775   44.235   2.2495   43.963   2.7559   44.778   3.8941  1296.34   41.350  1297.15   58.391 -0.8065186 71.54953 
1 1 1   12   26   32 o  358.737   33.099   3.4374   0.5992   4.1514   0.8441   2.7123   0.8507  397.785   41.274  319.688   51.756 78.09738 66.19855 
1 1 1   12   26   34 o  635.904   31.177   10.710   1.0161   11.381   1.4164   9.9975   1.4585  657.321   41.911  614.486   46.167 42.83490 62.35355 
1 1 1   12   26   36 o  426.780   31.692   4.8331   0.6954   4.7742   0.9786   4.8932   0.9882  424.135   44.877  429.424   44.761 -5.289581 63.38404 
1 1 1   12   26   38 o  250.219   42.073   1.5884   0.5298   2.6547   0.9017   1.0264   0.6546  307.440   59.196  192.998   59.802 114.4414 84.14510 
1 1 1   12   26   40 o  426.951   31.818   4.8819   0.6966   4.9741   0.9579   4.7783   1.0150  431.912   43.136  421.989   46.783 9.923553 63.63501 
1 1 1   12   26   42 o  195.271   43.982   1.0299   0.5205   0.5899   0.7299   1.4854   0.7426  163.867   62.449  226.675   61.951 -62.80852 87.96455 
1 1 1   12   26   44 o  265.633   34.729   1.9498   0.4636   1.7334   0.6355   2.1959   0.6778  247.061   51.695  284.205   46.390 -37.14374 69.45818 
1 1 1   12   26   46 o  249.515   43.969   1.9397   0.5497   2.1372   0.6508   1.4478   1.0271  279.456   45.298  219.574   75.373 59.88148 87.93719 
1 1 1   12   26   48 o  355.772   46.680   3.7052   0.7427   3.5622   0.8686   4.0942   1.4322  357.646   47.237  353.899   80.529 3.746277 93.36070 
1 1 1   12   26   50 o  200.516   44.251   1.0216   0.4663   0.7055   0.5426   1.9149   0.9123  158.195   54.757  242.837   69.528 -84.64253 88.50130 
1 1 1   12   27    1 o  1168.64   45.983   35.673   2.7474   33.090   4.0038   37.971   3.7770  1127.65   69.061  1209.63   60.733 -81.97815 91.96689 
1 1 1   12   27    3 o  1166.51   38.518   34.744   2.2897   31.594   3.0045   39.108   3.5365  1104.60   52.906  1228.43   55.995 -123.8304 77.03543 
1 1 1   12   27    5 o  1693.78   30.231   74.026   2.6268   72.909   3.5866   75.317   3.8581  1680.25   41.518  1707.30   43.953 -27.05139 60.46176 
1 1 1   12   27    7 o  382.947   38.990   4.0402   0.6972   4.4948   0.8784   3.2662   1.1462  417.179   40.955  348.715   66.359 68.46478 77.97941 
1 1 1   12   27    9 o  1300.56   32.579   43.637   2.1734   45.417   3.2058   42.124   2.9567  1324.86   47.065  1276.27   45.060 48.59204 65.15754 
1 1 1   12   27   11 o  951.838   49.085   23.387   2.3869   21.493   3.1653   25.883   3.6342  907.972   67.806  995.705   70.991 -87.73273 98.17044 
1 1 1   12   27   13 o  695.138   38.317   12.417   1.3003   12.937   2.2397   12.153   1.5970  705.006   61.791  685.269   45.330 19.73639 76.63460 
1 1 1   12   27   15 f  471.549   31.549   5.7561   0.7646   5.6721   1.0644   5.8457   1.0990  468.026   44.235  475.073   44.994 -7.046906 63.09705 
1 1 1   12   27   17 o  508.944   31.346   6.7200   0.8189   6.8164   1.1323   6.6142   1.1858  512.908   42.941  504.980   45.676 7.927643 62.69103 
1 1 1   12   27   19 o  1065.44   37.792   30.080   1.9668   27.970   3.2824   31.263   2.4567  1033.28   61.788  1097.60   43.535 -64.31958 75.58500 
1 1 1   12   27   21 o  386.614   33.444   3.9817   0.6486   4.7154   0.8887   3.1452   0.9489  426.270   40.549  346.958   53.197 79.31201 66.88862 
1 1 1   12   27   23 o  472.315   31.252   5.7679   0.7541   4.9265   1.0244   6.7631   1.1141  434.754   45.830  509.876   42.500 -75.12164 62.50351 
1 1 1   12   27   25 o  412.081   46.707   4.8882   0.8197   5.2326   0.9601   3.9623   1.5742  448.199   41.668  375.963   83.606 72.23550 93.41409 
1 1 1   12   27   27 o  436.733   38.375   4.9096   0.8350   5.5231   1.3929   4.5654   1.0432  456.415   59.359  417.051   48.653 39.36444 76.75042 
1 1 1   12   27   29 o  1270.05   36.365   42.729   2.2239   42.978   2.7149   42.221   3.8775  1281.77   41.197  1258.33   59.936 23.44043 72.72926 
1 1 1   12   27   31 o  280.866   34.611   2.1024   0.4883   1.9100   0.6613   2.3329   0.7240  264.485   50.473  297.246   47.373 -32.76065 69.22202 
1 1 1   12   27   33 o  100.185   28.729   0.1116   0.2312   0.0656   0.3226   0.1601   0.3315   95.885   39.804  104.485   41.436 -8.600052 57.45702 
1 1 1   12   27   35 o  457.969   31.796   5.5557   0.7470   5.0670   1.0352   6.0867   1.0790  436.620   46.115  479.318   43.787 -42.69800 63.59144 
1 1 1   12   27   37 o  609.781   47.668   10.516   1.4590   12.358   2.0064   8.4492   2.1254  673.480   57.946  546.083   75.704 127.3973 95.33570 
1 1 1   12   27   39 o  268.439   35.311   1.9632   0.4739   1.5692   0.6464   2.4212   0.6968  235.952   54.396  300.927   45.039 -64.97482 70.62193 
1 1 1   12   27   41 o  490.460   44.629   6.7343   1.1248   7.0160   1.6074   6.4640   1.5746  500.952   62.412  479.967   63.810 20.98526 89.25780 
1 1 1   12   27   43 o  323.042   38.423   3.0706   0.5922   3.9642   0.8062   2.0234   0.8727  384.423   40.789  261.660   65.128 122.7630 76.84675 
1 1 1   12   27   45 o  577.140   32.343   9.0802   0.9574   8.2750   1.3155   9.9870   1.3960  549.387   46.575  604.893   44.889 -55.50549 64.68612 
1 1 1   12   27   47 o  180.795   47.037   0.8358   0.5465   0.6911   0.6655   1.1357   0.9579  163.296   60.167  198.294   72.317 -34.99825 94.07407 
1 1 1   12   27   49 o  465.621   52.103   7.1239   1.0482   7.5167   1.2471   6.1786   1.9345  516.561   46.957  414.680   93.027 101.8809 104.2061 
1 1 1   12   28    0 o  383.069   61.461   4.3478   1.0482   4.2411   1.5675   4.4341   1.4098  373.649   94.353  392.489   78.785 0.000000 0.000000 
1 1 1   12   28    2 o  1120.24   31.060   32.427   1.7733   32.342   2.3562   32.538   2.6932  1118.95   40.957  1121.53   46.707 -2.575439 62.12086 
1 1 1   12   28    4 o  628.002   31.747   10.019   0.9976   10.960   1.6385   9.4650   1.2575  650.669   48.979  605.335   40.406 45.33459 63.49470 
1 1 1   12   28    6 o  915.153   28.302   21.578   1.3277   22.330   1.9671   20.948   1.7994  929.635   41.157  900.671   38.860 28.96320 56.60403 
1 1 1   12   28    8 f  1212.63   30.187   37.749   1.8754   34.417   2.5329   41.791   2.7900  1153.83   42.698  1271.44   42.682 -117.6146 60.37308 
1 1 1   12   28   10 o  1855.69   44.110   88.898   3.8155   87.886   4.5159   91.420   7.1328  1842.22   47.679  1869.16   74.224 -26.93701 88.21900 
1 1 1   12   28   12 o  1385.23   38.607   49.128   2.5859   51.998   4.5573   47.765   3.1404  1412.27   62.765  1358.19   44.974 54.08545 77.21473 
1 1 1   12   28   14 o  1108.29   31.587   31.832   1.7988   33.233   2.5564   30.458   2.5317  1132.60   43.901  1083.98   45.428 48.62329 63.17447 
1 1 1   12   28   16 o  961.270   31.139   23.943   1.5382   23.125   2.1376   24.823   2.2152  944.240   44.033  978.299   44.042 -34.05902 62.27832 
1 1 1   12   28   18 o  748.348   30.984   14.524   1.1908   14.175   1.6393   14.913   1.7328  738.967   43.147  757.730   44.480 -18.76288 61.96851 
1 1 1   12   28   20 o  543.096   31.479   7.7250   0.8727   8.3853   1.2025   6.9900   1.2686  568.255   41.158  517.938   47.642 50.31628 62.95879 
1 1 1   12   28   22 o  915.338   30.519   21.787   1.4334   21.431   1.9603   22.196   2.1014  907.609   42.009  923.066   44.280 -15.45660 61.03723 
1 1 1   12   28   24 o  524.782   53.826   8.8249   1.0980   10.078   1.2754   5.2389   2.1579  622.257   39.868  427.307   99.997 194.9499 107.6514 
1 1 1   12   28   26 o  377.877   61.991   3.7983   1.2043   0.0000   0.0000   3.7983   1.2043  ?   ?   377.877   61.991      ?      ? 
1 1 1   12   28   28 o  600.558   34.732   8.8381   1.0275   7.2941   1.2524   12.017   1.7971  526.810   46.240  674.305   51.838 -147.4945 69.46467 
1 1 1   12   28   30 o  165.704   37.060   0.7137   0.3541   0.6092   0.4816   0.8367   0.5224  155.033   51.619  176.375   53.189 -21.34215 74.11922 
1 1 1   12   28   32 o  901.872   30.813   21.455   1.4277   21.237   1.9785   21.692   2.0623  897.469   42.879  906.276   44.261 -8.806458 61.62555 
1 1 1   12   28   34 o  150.035   35.549   0.5699   0.3226   0.6299   0.4733   0.5179   0.4410  155.762   51.140  144.307   49.392 11.45428 71.09721 
1 1 1   12   28   36 o  381.601   49.483   4.1475   0.9423   4.3955   1.2804   3.8545   1.3918  399.996   62.264  363.206   76.926 36.79010 98.96661 
1 1 1   12   28   38 o  1183.65   31.355   37.538   1.8995   40.904   2.6612   34.042   2.7120  1240.46   41.728  1126.84   46.812 113.6144 62.71024 
1 1 1   12   28   40 o  298.784   45.248   2.6103   0.7029   1.4548   0.9913   3.7787   0.9969  225.195   74.014  372.375   52.071 -147.1801 90.49540 
1 1 1   12   28   42 o  708.354   32.421   13.699   1.1673   15.759   1.6378   11.571   1.6642  766.143   41.580  650.565   49.756 115.5785 64.84262 
1 1 1   12   28   44 o  569.955   33.186   8.9656   0.9639   9.6953   1.3209   8.1346   1.4097  597.793   42.979  542.118   50.578 55.67554 66.37288 
1 1 1   12   28   46 o  413.458   53.766   5.4919   1.0839   6.5071   1.4553   4.2274   1.6242  474.196   59.695  352.721   89.440 121.4752 107.5311 
1 1 1   12   28   48 o  658.930   33.275   12.217   1.1253   12.784   1.5774   11.630   1.6059  676.508   45.353  641.353   48.703 35.15448 66.54968 
1 1 1   12   29    1 o  1523.59   34.291   60.072   2.6851   62.235   3.8499   58.023   3.7468  1550.32   48.301  1496.85   48.687 53.47009 68.58173 
1 1 1   12   29    3 o  589.474   31.510   8.8640   0.9478   7.6085   1.2630   10.483   1.4340  542.289   45.302  636.659   43.811 -94.36993 63.02097 
1 1 1   12   29    5 o  606.872   28.780   9.4791   0.8961   10.151   1.3199   8.9049   1.2204  626.711   40.966  587.034   40.435 39.67694 57.56006 
1 1 1   12   29    7 f  512.611   29.974   6.9221   0.7751   5.7111   1.1373   7.9727   1.0593  469.598   47.104  555.625   37.082 -86.02661 59.94896 
1 1 1   12   29    9 o  302.912   50.413   2.4438   0.7178   2.3897   0.8505   2.5777   1.3381  298.213   57.554  307.611   82.786 -9.397888 100.8263 
1 1 1   12   29   11 o  907.115   42.235   22.564   1.7782   18.703   3.1506   24.369   2.1542  844.177   72.591  970.052   43.193 -125.8756 84.46955 
1 1 1   12   29   13 o  965.327   32.162   24.247   1.5910   22.357   2.2737   26.059   2.2270  927.945   47.659  1002.71   43.199 -74.76453 64.32365 
1 1 1   12   29   15 o  416.102   32.588   4.5025   0.6962   4.2457   0.9869   4.7568   0.9822  404.145   47.499  428.060   44.629 -23.91412 65.17573 
1 1 1   12   29   17 o  349.990   32.828   3.1831   0.5903   3.0864   0.8173   3.2886   0.8536  344.464   46.148  355.517   46.702 -11.05298 65.65594 
1 1 1   12   29   19 o  311.259   36.515   2.6183   0.5547   3.3921   0.7891   1.8627   0.7798  361.218   42.491  261.299   59.395 99.91885 73.02953 
1 1 1   12   29   21 f  1442.01   30.552   54.053   2.2620   52.187   3.1019   56.171   3.3056  1415.75   42.616  1468.28   43.789 -52.53088 61.10338 
1 1 1   12   29   23 o  342.549   48.218   3.3218   0.7245   3.4670   0.8398   2.8990   1.4329  364.306   44.837  320.792   85.378 43.51450 96.43550 
1 1 1   12   29   25 o  181.846   61.162   0.8327   0.6761   0.0000   0.0000   0.8327   0.6761  ?   ?   181.846   61.162      ?      ? 
1 1 1   12   29   27 o  638.878   31.476   10.800   1.0250   11.890   1.4146   9.5953   1.4874  674.138   40.816  603.619   47.927 70.51801 62.95185 
1 1 1   12   29   29 o  764.813   30.910   15.373   1.2135   15.125   1.6642   15.654   1.7733  758.648   42.666  770.978   44.737 -12.33002 61.82067 
1 1 1   12   29   31 o  130.845   34.349   0.3602   0.3087   0.4168   0.4203   0.2939   0.4548  134.461   48.054  127.229   49.093 7.231796 68.69708 
1 1 1   12   29   33 o  487.023   32.145   6.3462   0.7980   6.8888   1.0943   5.7299   1.1661  510.665   41.679  463.380   48.948 47.28503 64.28934 
1 1 1   12   29   35 o  957.898   39.211   23.900   1.7620   22.564   2.0780   27.320   3.3235  921.345   43.869  994.451   65.004 -73.10571 78.42219 
1 1 1   12   29   37 o  306.556   38.137   2.6874   0.5673   3.4885   0.7844   1.8092   0.8213  362.180   42.127  250.933   63.584 111.2473 76.27316 
1 1 1   12   29   39 o  756.131   44.695   16.037   1.7232   18.281   2.4433   13.815   2.4308  813.407   58.425  698.856   67.655 114.5514 89.39031 
1 1 1   12   29   41 o  332.604   35.498   3.1172   0.5734   3.8851   0.8038   2.3214   0.8183  380.724   41.063  284.484   57.917 96.23898 70.99648 
1 1 1   12   29   43 o  211.463   37.127   1.3076   0.4093   1.6114   0.5621   0.9645   0.5973  239.040   47.409  183.886   57.149 55.15434 74.25333 
1 1 1   12   29   45 o  168.992   38.450   0.8593   0.4148   1.1470   0.4792   0.0000   0.8280  200.008   47.337  137.975   60.603 62.03230 76.89902 
1 1 1   12   29   47 o  143.183   36.608   0.5234   0.3450   0.4626   0.4656   0.5974   0.5139  136.740   50.333  149.626   53.170 -12.88644 73.21563 
1 1 1   12   30    0 o  569.110   58.084   9.1146   1.5275   10.330   2.0568   7.6196   2.2810  621.306   66.290  516.915   95.396 -0.000000 0.000000 
1 1 1   12   30    2 o  578.185   34.804   8.6604   1.0335   8.8202   1.5010   8.5162   1.4253  583.171   50.062  573.200   48.364 9.970215 69.60795 
1 1 1   12   30    4 o  901.397   31.126   20.918   1.4370   19.764   1.9326   22.346   2.1491  873.873   43.015  928.920   45.000 -55.04700 62.25136 
1 1 1   12   30    6 o  532.979   34.302   7.2571   0.9200   6.8583   1.1720   7.8972   1.4849  514.588   44.301  551.371   52.381 -36.78369 68.60324 
1 1 1   12   30    8 o  899.926   37.397   21.263   1.7128   23.647   2.3607   18.612   2.4890  954.602   48.100  845.250   57.276 109.3520 74.79404 
1 1 1   12   30   10 o  680.407   41.367   12.327   1.3313   11.429   2.3610   12.746   1.6120  659.765   69.604  701.049   44.724 -41.28394 82.73433 
1 1 1   12   30   12 o  1040.54   32.876   28.141   1.7561   27.782   2.5445   28.468   2.4268  1033.87   47.870  1047.20   45.074 -13.33289 65.75144 
1 1 1   12   30   14 o  939.136   32.321   22.933   1.5600   22.583   2.2259   23.270   2.1869  931.937   46.457  946.335   44.948 -14.39728 64.64231 
1 1 1   12   30   16 o  248.000   36.505   1.6653   0.4503   1.5888   0.6416   1.7395   0.6321  242.035   53.024  253.965   50.189 -11.92949 73.01074 
1 1 1   12   30   18 o  218.995   37.515   1.2943   0.4189   1.1012   0.5720   1.5175   0.6150  201.585   54.075  236.405   52.012 -34.82069 75.02922 
1 1 1   12   30   20 o  388.495   36.421   4.0670   0.6720   2.5957   0.9255   5.7074   0.9772  308.636   60.488  468.354   40.584 -159.7185 72.84173 
1 1 1   12   30   22 o  715.684   41.482   14.302   1.4039   11.333   2.3633   15.921   1.7452  650.536   70.662  780.833   43.473 -130.2978 82.96360 
1 1 1   12   30   24 o  692.740   59.292   12.749   2.1117   0.0000   0.0000   12.749   2.1117  ?   ?   692.740   59.292      ?      ? 
1 1 1   12   30   26 f  486.412   32.108   6.2363   0.8005   6.6229   1.1152   5.8256   1.1496  502.518   43.166  470.307   47.543 32.21106 64.21549 
1 1 1   12   30   28 o  397.940   33.068   4.2015   0.6726   4.6431   0.9419   3.7422   0.9607  420.063   43.613  375.816   49.719 44.24652 66.13660 
1 1 1   12   30   30 o  898.727   31.255   21.337   1.4408   21.329   1.9722   21.346   2.1100  899.375   42.652  898.078   45.699 1.297607 62.51071 
1 1 1   12   30   32 o  297.101   34.522   2.3530   0.5269   2.2980   0.7283   2.4135   0.7633  293.586   48.252  300.616   49.386 -7.029449 69.04490 
1 1 1   12   30   34 o  628.495   32.518   10.646   1.0383   11.861   1.4260   9.2763   1.5146  669.178   41.450  587.812   50.117 81.36609 65.03671 
1 1 1   12   30   36 o  1040.43   37.657   29.072   1.9351   30.410   3.2413   28.331   2.4122  1051.60   59.952  1029.26   45.585 22.34180 75.31418 
1 1 1   12   30   38 f  252.631   47.565   1.8788   0.6403   1.4449   0.9242   2.2792   0.8879  224.163   71.284  281.099   62.995 -56.93660 95.13006 
1 1 1   12   30   40 o  682.036   32.079   12.593   1.1220   12.903   1.5458   12.247   1.6310  692.341   43.428  671.731   47.227 20.61041 64.15881 
1 1 1   12   30   42 o  409.285   33.696   4.6244   0.6989   5.4635   0.9875   3.7825   0.9891  449.249   42.756  369.321   52.094 79.92831 67.39297 
1 1 1   12   30   44 o  146.531   33.180   0.5704   0.3005   0.8400   0.4166   0.2780   0.4338  171.635   46.195  121.426   47.640 50.20950 66.35944 
1 1 1   12   30   46 o  231.684   44.070   1.5862   0.5341   2.1005   0.8438   1.2423   0.6900  261.111   63.472  202.258   61.155 58.85316 88.14001 
1 1 1   12   31    1 o  573.689   35.244   8.5390   1.0385   9.0771   1.4930   8.0344   1.4456  591.270   49.113  556.108   50.563 35.16162 70.48862 
1 1 1   12   31    3 o  1104.90   41.261   30.157   2.0243   28.625   2.3095   35.235   4.2052  1051.20   42.733  1158.61   70.596 -107.4104 82.52218 
1 1 1   12   31    5 o  571.294   34.982   8.4783   0.9990   8.4728   1.2723   8.4871   1.6132  571.764   43.283  570.823   54.970 0.9409180 69.96480 
1 1 1   12   31    7 o  1055.13   32.302   29.047   1.6845   28.326   2.7778   29.467   2.1185  1043.28   51.789  1066.98   38.620 -23.70313 64.60323 
1 1 1   12   31    9 o  498.990   35.456   6.5663   0.8971   5.5918   1.3083   7.4311   1.2324  462.962   54.966  535.018   44.802 -72.05634 70.91151 
1 1 1   12   31   11 o  205.773   39.187   1.1174   0.4171   1.2942   0.6646   1.0026   0.5357  218.588   58.128  192.957   52.569 25.63057 78.37334 
1 1 1   12   31   13 o  1129.23   32.888   33.238   1.9056   32.257   2.7574   34.134   2.6365  1112.75   48.199  1145.71   44.760 -32.95862 65.77670 
1 1 1   12   31   15 o  1706.84   32.097   75.891   2.8155   74.399   4.0100   77.342   3.9541  1689.92   46.154  1723.77   44.617 -33.84717 64.19437 
1 1 1   12   31   17 o  1045.94   31.789   28.508   1.7089   27.492   2.3946   29.562   2.4394  1026.82   45.360  1065.05   44.550 -38.23401 63.57855 
1 1 1   12   31   19 o  1351.98   31.355   47.623   2.1774   45.011   3.0146   50.473   3.1484  1313.14   44.652  1390.81   44.030 -77.67395 62.70949 
1 1 1   12   31   21 o  656.955   39.030   10.875   1.2561   13.094   2.2057   9.8106   1.5281  702.390   61.081  611.521   48.604 90.86926 78.05950 
1 1 1   12   31   23 o  921.693   59.775   22.605   2.8325   22.605   2.8325   0.0000   0.0000  921.693   59.775  ?   ?       ?      ? 
1 1 1   12   31   25 o  879.295   31.539   20.215   1.4203   17.915   1.9414   22.865   2.0834  825.223   45.758  933.367   43.417 -108.1434 63.07766 
1 1 1   12   31   27 o  982.496   31.402   25.564   1.5775   27.443   2.1792   23.495   2.2863  1022.15   41.468  942.838   47.167 79.31567 62.80373 
1 1 1   12   31   29 o  312.536   35.728   2.6449   0.5590   2.7715   0.7699   2.5036   0.8130  323.419   46.300  301.653   54.427 21.76587 71.45655 
1 1 1   12   31   31 o  184.723   36.584   0.9340   0.3705   0.6594   0.5214   1.2141   0.5265  160.224   53.712  209.222   49.684 -48.99776 73.16727 
1 1 1   12   31   33 o  279.597   38.883   2.1813   0.5385   2.2056   0.7443   2.1546   0.7799  281.862   53.318  277.333   56.612 4.528503 77.76697 
1 1 1   12   31   35 o  231.578   50.675   1.5718   0.6703   1.8039   0.8368   1.1562   1.1198  250.333   64.587  212.823   78.104 37.50969 101.3494 
1 1 1   12   31   37 o  261.323   46.916   2.0006   0.6460   1.4445   0.9157   2.5514   0.9115  224.107   70.925  298.540   61.432 -74.43292 93.83143 
1 1 1   12   31   39 o  403.604   33.654   4.4089   0.6968   4.0265   0.9584   4.8375   1.0147  384.708   48.457  422.499   46.714 -37.79062 67.30760 
1 1 1   12   31   41 o  170.216   36.705   0.8121   0.3506   0.7503   0.4859   0.8791   0.5063  164.308   51.623  176.124   52.192 -11.81645 73.40919 
1 1 1   12   31   43 o  160.889   36.069   0.6856   0.3617   0.2858   0.5126   1.0819   0.5104  128.315   51.318  193.464   50.698 -65.14868 72.13742 
1 1 1   12   31   45 o  302.569   53.523   3.0061   0.8404   3.4889   1.1624   2.4773   1.2164  333.784   69.971  271.354   81.011 62.42981 107.0457 
1 1 1   12   32    0 o  1180.57   75.719   36.758   4.5525   0.0000   0.0000   36.758   4.5525  1180.57   75.719  1180.57   75.719 -0.000000 0.000000 
1 1 1   12   32    2 o  379.885   56.378   3.8686   1.1216   1.7768   1.5201   6.3677   1.6616  267.225   91.699  492.544   65.614 -225.3195 112.7562 
1 1 1   12   32    4 o  911.264   53.294   22.058   2.4839   23.803   3.4467   20.173   3.5828  950.507   70.532  872.021   79.914 78.48676 106.5878 
1 1 1   12   32    6 o  658.007   41.941   11.425   1.1968   11.158   2.4634   11.508   1.3692  649.700   73.748  666.315   39.968 -16.61536 83.88229 
1 1 1   12   32    8 o  238.818   37.945   1.5876   0.4483   1.2515   0.7528   1.7723   0.5580  216.292   63.517  261.345   41.530 -45.05310 75.88902 
1 1 1   12   32   10 o  1712.16   33.811   76.942   2.9512   70.271   4.3379   82.691   4.0267  1640.78   51.423  1783.55   43.913 -142.7740 67.62179 
1 1 1   12   32   12 o  859.864   33.686   19.413   1.4782   17.448   2.1451   21.189   2.0397  817.244   51.053  902.483   43.961 -85.23962 67.37199 
1 1 1   12   32   14 o  611.106   33.553   9.7384   1.0436   11.660   1.5144   8.0001   1.4403  669.123   44.020  553.088   50.650 116.0346 67.10571 
1 1 1   12   32   16 o  1160.27   32.149   35.150   1.9166   33.767   2.7120   36.530   2.7088  1137.10   46.390  1183.44   44.521 -46.33337 64.29752 
1 1 1   12   32   18 o  1470.66   31.842   56.543   2.4065   58.072   3.3894   54.989   3.4174  1491.15   44.211  1450.18   45.836 40.97339 63.68321 
1 1 1   12   32   20 o  247.581   42.559   1.6866   0.6139   0.4818   0.9013   2.7296   0.8385  173.046   68.419  322.117   50.634 -149.0710 85.11713 
1 1 1   12   32   22 o  857.750   60.345   19.617   2.6612   19.617   2.6612   0.0000   0.0000  857.750   60.345  ?   ?       ?      ? 
1 1 1   12   32   24 o  250.582   38.852   1.7351   0.4889   2.0917   0.6968   1.3893   0.6862  277.172   50.766  223.992   58.827 53.17993 77.70371 
1 1 1   12   32   26 f  506.064   33.112   6.7676   0.8610   6.6862   1.1946   6.8556   1.2421  503.087   46.186  509.040   47.461 -5.953308 66.22451 
1 1 1   12   32   28 o  296.288   37.221   2.4129   0.5470   2.8510   0.7656   1.9559   0.7819  328.134   45.380  264.441   59.010 63.69257 74.44102 
1 1 1   12   32   30 o  427.991   33.467   4.9108   0.7312   5.3207   1.0084   4.4563   1.0620  448.030   43.778  407.951   50.632 40.07950 66.93392 
1 1 1   12   32   32 o  656.355   31.991   11.427   1.0769   10.743   1.4618   12.239   1.5924  635.227   44.761  677.482   45.717 -42.25531 63.98141 
1 1 1   12   32   34 o  185.416   43.982   0.9369   0.5123   1.2036   0.6276   0.4044   0.8868  206.527   57.163  164.304   66.857 42.22348 87.96331 
1 1 1   12   32   36 o  265.915   44.308   2.0946   0.6890   0.5769   1.0156   3.3884   0.9377  178.868   71.988  352.962   51.676 -174.0939 88.61544 
1 1 1   12   32   38 f  331.792   34.656   3.0029   0.5896   3.0770   0.8118   2.9202   0.8576  336.929   46.866  326.655   51.067 10.27344 69.31283 
1 1 1   12   32   40 o  589.117   33.086   9.5217   0.9879   7.6943   1.3830   11.425   1.4115  527.889   50.957  650.346   42.216 -122.4568 66.17274 
1 1 1   12   32   42 o  236.410   37.227   1.5635   0.4626   0.9191   0.6211   2.3662   0.6933  179.506   58.566  293.314   45.973 -113.8079 74.45453 
1 1 1   12   32   44 o  225.709   49.210   1.3900   0.6534   0.6955   0.8249   2.5590   1.0703  168.996   65.862  282.422   73.134 -113.4263 98.41971 
1 1 1   12   32   46 o  161.746   34.780   0.7451   0.3313   1.0586   0.4706   0.4371   0.4664  189.553   48.183  133.938   50.171 55.61542 69.56034 
1 1 1   12   33    1 o  1256.14   44.780   41.775   2.6645   40.664   4.7713   42.278   3.2121  1238.39   74.939  1273.89   49.044 -35.49731 89.56069 
1 1 1   12   33    3 o  158.050   41.309   0.5291   0.4100   0.3583   0.8183   0.5864   0.4737  162.195   64.849  153.905   51.191 8.289276 82.61888 
1 1 1   12   33    5 o  1288.84   32.622   42.753   2.0927   45.123   3.4589   41.385   2.6283  1314.88   51.166  1262.80   40.483 52.08826 65.24423 
1 1 1   12   33    7 o  837.836   33.976   18.936   1.3843   16.101   2.2670   20.621   1.7481  783.949   56.245  891.724   38.131 -107.7750 67.95223 
1 1 1   12   33    9 o  373.606   31.086   3.5960   0.5847   4.7237   0.8739   2.6821   0.7868  426.518   39.854  320.694   47.718 105.8238 62.17226 
1 1 1   12   33   11 o  641.101   31.299   10.767   1.0234   11.306   1.3854   10.121   1.5183  659.467   40.861  622.735   47.423 36.73206 62.59813 
1 1 1   12   33   13 o  746.475   33.905   14.572   1.2975   14.452   1.9036   14.676   1.7733  743.118   49.825  749.831   45.998 -6.713501 67.81075 
1 1 1   12   33   15 o  833.166   33.018   18.157   1.4126   18.054   2.0450   18.250   1.9537  830.555   47.890  835.778   45.466 -5.223083 66.03506 
1 1 1   12   33   17 o  656.326   43.302   11.710   1.3250   10.735   2.3940   12.140   1.5909  631.504   73.734  681.148   45.428 -49.64404 86.60485 
1 1 1   12   33   19 o  726.047   44.989   14.127   1.6580   13.733   2.5319   14.423   2.1938  714.805   68.895  737.290   57.875 -22.48578 89.97744 
1 1 1   12   33   21 o  258.262   54.364   1.7813   0.7370   1.6304   0.8927   2.1042   1.3059  242.322   68.571  274.202   84.379 -31.88043 108.7278 
1 1 1   12   33   23 o  913.069   31.925   22.010   1.4942   23.030   2.0690   20.897   2.1602  936.270   42.982  889.867   47.217 46.40277 63.85024 
1 1 1   12   33   25 o  273.603   38.188   2.0540   0.5242   1.3332   0.7250   2.8438   0.7589  218.996   61.732  328.210   44.972 -109.2139 76.37578 
1 1 1   12   33   27 o  1068.96   31.770   30.176   1.7433   28.809   2.3852   31.743   2.5543  1043.37   44.464  1094.56   45.390 -51.18311 63.53931 
1 1 1   12   33   29 o  310.827   35.408   2.6206   0.5508   2.9315   0.7873   2.3225   0.7708  331.928   46.135  289.726   53.725 42.20169 70.81561 
1 1 1   12   33   31 o  299.539   37.565   2.5269   0.5478   3.4972   0.7805   1.5850   0.7690  363.175   41.799  235.903   62.429 127.2721 75.13046 
1 1 1   12   33   33 o  209.110   46.713   1.1956   0.6159   1.8081   0.8238   0.4190   0.9276  250.746   63.757  167.474   68.289 83.27254 93.42530 
1 1 1   12   33   35 o  303.928   49.994   2.7033   0.7635   2.9127   1.1424   2.5341   1.0265  313.944   72.274  293.913   69.095 20.03085 99.98849 
1 1 1   12   33   37 o  190.601   35.565   1.0479   0.3710   0.6195   0.5486   1.4088   0.5035  156.247   55.001  224.955   45.105 -68.70808 71.13094 
1 1 1   12   33   39 o  263.840   49.028   2.2144   0.6430   2.4013   0.7489   1.6900   1.2545  291.216   51.922  236.464   83.180 54.75209 98.05527 
1 1 1   12   33   41 o  181.455   35.997   0.9056   0.3739   0.4584   0.5116   1.4186   0.5479  140.439   52.554  222.472   49.205 -82.03244 71.99336 
1 1 1   12   33   43 o  287.263   42.109   1.6382   0.5684   0.8049   0.6392   4.7875   1.2425  169.761   59.392  404.766   59.709 -235.0049 84.21708 
1 1 1   12   33   45 o  489.172   33.805   6.7927   0.8495   6.8876   1.1842   6.6922   1.2193  493.797   46.645  484.548   48.943 9.248840 67.61085 
1 1 1   12   34    0 o  844.726   51.938   19.040   2.2030   18.885   2.9562   19.232   3.3038  842.536   69.325  846.915   77.359 -0.000000 0.000000 
1 1 1   12   34    2 o  219.649   39.449   1.2957   0.4614   1.8137   0.6669   0.8202   0.6389  258.983   51.896  180.315   59.428 78.66832 78.89777 
1 1 1   12   34    4 o  492.225   34.309   6.5158   0.8408   7.5242   1.1216   5.2223   1.2703  538.148   40.539  446.302   55.363 91.84592 68.61782 
1 1 1   12   34    6 o  397.928   30.297   4.1092   0.6189   4.3450   0.9052   3.9022   0.8482  408.591   43.090  387.265   42.602 21.32559 60.59434 
1 1 1   12   34    8 o  740.345   29.010   14.176   1.0991   16.250   1.6160   12.390   1.4992  790.725   39.750  689.966   42.264 100.7595 58.01992 
1 1 1   12   34   10 o  1106.38   31.263   31.953   1.7706   32.292   2.4029   31.549   2.6191  1113.59   41.969  1099.16   46.347 14.43530 62.52582 
1 1 1   12   34   12 o  308.152   35.984   2.5336   0.5416   1.7627   0.7389   3.4288   0.7963  253.681   57.925  362.622   42.710 -108.9411 71.96801 
1 1 1   12   34   14 o  779.206   46.518   17.232   1.6208   13.869   3.0039   18.614   1.9251  714.503   81.774  843.908   44.369 -129.4053 93.03575 
1 1 1   12   34   16 o  868.097   45.759   19.968   2.0007   20.895   3.1924   19.368   2.5674  881.576   70.435  854.618   58.433 26.95734 91.51736 
1 1 1   12   34   18 o  494.769   37.992   6.5294   0.9393   6.7200   1.2064   6.2362   1.4966  505.800   46.393  483.738   60.177 22.06213 75.98391 
1 1 1   12   34   20 o  334.895   50.111   2.6803   0.8533   1.4115   1.0460   5.2049   1.4755  230.179   76.045  439.610   65.281 -209.4312 100.2223 
1 1 1   12   34   22 o  845.753   32.597   18.851   1.4165   18.280   1.9598   19.475   2.0495  832.513   45.789  858.992   46.408 -26.47955 65.19465 
1 1 1   12   34   24 o  424.547   35.803   4.8825   0.7599   6.1007   1.0693   3.6395   1.0801  480.999   43.241  368.096   57.074 112.9028 71.60511 
1 1 1   12   34   26 o  670.640   32.585   11.925   1.1225   11.681   1.5496   12.195   1.6283  663.726   45.412  677.553   46.743 -13.82635 65.17021 
1 1 1   12   34   28 o  651.370   32.511   11.286   1.0872   11.151   1.4950   11.437   1.5841  647.772   44.888  654.967   47.043 -7.195190 65.02298 
1 1 1   12   34   30 o  449.134   33.814   5.4242   0.7770   5.7802   1.0739   5.0332   1.1256  465.746   44.850  432.523   50.617 33.22342 67.62802 
1 1 1   12   34   32 o  661.411   43.235   11.654   1.3075   11.159   1.5224   13.047   2.5524  645.546   45.870  677.276   73.301 -31.72986 86.47018 
1 1 1   12   34   34 o  318.288   52.455   3.0671   0.8385   2.6580   1.2987   3.3595   1.0979  294.876   82.451  341.700   64.868 -46.82407 104.9100 
1 1 1   12   34   36 o  282.375   35.658   2.2098   0.5065   2.3110   0.7147   2.1077   0.7180  291.694   47.659  273.057   53.053 18.63718 71.31610 
1 1 1   12   34   38 o  597.614   33.451   9.7609   1.0262   9.6693   1.4104   9.8639   1.4959  595.566   46.062  599.661   48.520 -4.095337 66.90189 
1 1 1   12   34   40 o  125.278   32.161   0.3624   0.2753   0.1911   0.4057   0.5087   0.3748  112.695   45.447  137.862   45.518 -25.16682 64.32196 
1 1 1   12   34   42 o  246.730   38.689   1.7934   0.4776   1.7233   0.6594   1.8707   0.6926  241.732   54.374  251.727   55.052 -9.995773 77.37733 
1 1 1   12   34   44 o  433.876   42.918   5.3666   0.9247   6.7794   1.5752   4.6236   1.1422  470.671   65.094  397.082   55.951 73.58841 85.83541 
1 1 1   12   35    1 o  770.984   36.911   15.763   1.4359   12.361   2.0325   19.153   2.0289  685.296   57.687  856.673   46.065 -171.3766 73.82272 
1 1 1   12   35    3 o  662.639   35.660   11.457   1.2128   12.312   1.7741   10.707   1.6617  685.799   50.317  639.480   50.543 46.31915 71.31906 
1 1 1   12   35    5 f  431.514   33.079   4.8241   0.7307   4.4002   0.9811   5.3524   1.0951  410.439   46.494  452.588   47.065 -42.14847 66.15701 
1 1 1   12   35    7 o  1523.88   29.253   60.391   2.2861   61.738   3.3689   59.242   3.1125  1539.01   42.577  1508.74   40.125 30.26563 58.50541 
1 1 1   12   35    9 o  1081.60   35.560   31.184   1.9006   32.688   2.4147   28.736   3.0812  1119.72   41.945  1043.47   57.434 76.25537 71.12057 
1 1 1   12   35   11 o  581.646   38.598   9.3045   1.1007   7.1290   1.6957   10.888   1.4469  517.699   63.710  645.592   43.592 -127.8927 77.19624 
1 1 1   12   35   13 o  588.376   46.765   9.0411   1.3792   10.218   2.2637   8.3460   1.7393  616.234   71.449  560.518   60.356 55.71661 93.53022 
1 1 1   12   35   15 o  959.551   37.547   24.220   1.8276   23.675   2.3861   24.994   2.8424  948.519   48.931  970.584   56.963 -22.06537 75.09299 
1 1 1   12   35   17 o  230.651   40.334   1.4867   0.4870   1.0247   0.7022   1.9150   0.6761  196.332   62.103  264.971   51.482 -68.63885 80.66740 
1 1 1   12   35   19 o  234.270   44.673   1.2811   0.6214   0.2917   0.8086   2.7079   0.9711  156.091   63.717  312.449   62.633 -156.3575 89.34586 
1 1 1   12   35   21 o  556.683   33.981   8.2896   0.9550   10.060   1.3524   6.5283   1.3489  618.363   42.538  495.004   53.003 123.3591 67.96146 
1 1 1   12   35   23 o  581.916   33.288   8.9384   0.9931   8.0961   1.3569   9.9100   1.4574  552.258   47.791  611.574   46.350 -59.31622 66.57568 
1 1 1   12   35   25 o  513.985   34.058   7.0717   0.8933   7.9945   1.2599   6.1385   1.2669  549.155   44.623  478.815   51.465 70.34045 68.11668 
1 1 1   12   35   27 o  839.755   38.419   18.513   1.6150   21.380   2.6684   16.855   2.0288  886.372   58.556  793.137   49.753 93.23529 76.83868 
1 1 1   12   35   29 o  826.273   32.625   18.339   1.3774   19.712   1.8994   16.817   2.0004  861.181   42.900  791.365   49.166 69.81653 65.25098 
1 1 1   12   35   31 o  523.002   54.060   8.4182   1.1512   8.9440   1.3314   6.8611   2.2913  578.330   44.778  467.674   98.411 110.6556 108.1193 
1 1 1   12   35   33 f  810.209   63.112   18.371   2.6289   0.0000   0.0000   18.371   2.6289  ?   ?   810.209   63.112      ?      ? 
1 1 1   12   35   35 o  180.689   38.936   0.9187   0.3954   0.9910   0.5418   0.8364   0.5784  187.015   53.593  174.362   56.495 12.65350 77.87167 
1 1 1   12   35   37 o  399.547   34.230   4.3801   0.7014   4.3943   0.9608   4.3638   1.0263  401.173   46.584  397.922   50.167 3.251495 68.46056 
1 1 1   12   35   39 o  416.915   35.124   4.8221   0.7370   3.6641   1.0113   6.1337   1.0763  360.316   54.591  473.514   44.211 -113.1974 70.24771 
1 1 1   12   35   41 o  413.855   35.847   4.8826   0.7511   5.6109   1.0430   4.0983   1.0824  450.127   45.071  377.584   55.756 72.54309 71.69424 
1 1 1   12   35   43 o  173.121   46.895   0.7769   0.5464   0.7136   0.6507   0.9282   1.0065  161.916   59.520  184.326   72.485 -22.41031 93.79058 
1 1 1   12   36    0 o  303.415   66.934   3.0025   0.9238   3.6537   1.3821   2.4768   1.2419  342.154   90.936  264.676   98.240 0.000000 0.000000 
1 1 1   12   36    2 o  214.584   41.271   1.2351   0.4736   1.5854   0.6958   0.9327   0.6466  240.499   57.121  188.670   59.584 51.82907 82.54118 
1 1 1   12   36    4 o  756.973   32.436   14.891   1.2557   14.101   1.6761   15.901   1.8958  734.648   44.378  779.298   47.318 -44.65021 64.87208 
1 1 1   12   36    6 o  859.451   29.726   19.211   1.3108   20.974   1.9116   17.646   1.8010  896.726   41.463  822.176   42.606 74.54913 59.45105 
1 1 1   12   36    8 o  441.314   38.908   5.2778   0.8569   4.3439   1.2984   5.9985   1.1406  404.119   62.495  478.509   46.365 -74.39050 77.81619 
1 1 1   12   36   10 o  483.918   41.227   6.2364   1.0211   6.6569   1.4146   5.7788   1.4754  501.886   54.821  465.949   61.590 35.93643 82.45406 
1 1 1   12   36   12 o  703.462   40.032   13.125   1.4462   13.124   1.9995   13.127   2.0943  703.932   55.250  702.992   57.946 0.9393921 80.06448 
1 1 1   12   36   14 o  1008.57   37.590   26.559   1.9319   24.238   2.5343   29.779   2.9847  957.615   51.476  1059.53   54.792 -101.9114 75.17927 
1 1 1   12   36   16 o  1454.55   33.728   55.983   2.5137   52.122   3.6121   59.608   3.5002  1403.90   50.044  1505.20   45.231 -101.2976 67.45555 
1 1 1   12   36   18 o  669.810   51.706   12.249   1.7424   12.045   2.2401   12.562   2.7723  667.004   65.324  672.617   80.169 -5.612305 103.4129 
1 1 1   12   36   20 o  991.543   33.112   26.071   1.6820   28.639   2.3861   23.533   2.3715  1041.53   44.560  941.557   48.991 99.97180 66.22443 
1 1 1   12   36   22 o  392.046   34.261   4.1009   0.6882   4.4070   0.9631   3.7816   0.9837  407.706   45.945  376.386   50.835 31.32034 68.52114 
1 1 1   12   36   24 o  200.851   40.050   1.1208   0.4320   1.2101   0.6174   1.0352   0.6047  208.121   56.327  193.581   56.950 14.54031 80.10023 
1 1 1   12   36   26 o  281.310   38.726   2.2095   0.5391   2.3206   0.7461   2.0882   0.7798  289.875   51.975  272.746   57.424 17.12933 77.45228 
1 1 1   12   36   28 o  493.496   34.470   6.5103   0.8714   5.7920   1.1934   7.3308   1.2754  463.900   50.036  523.092   47.425 -59.19232 68.94040 
1 1 1   12   36   30 o  503.754   34.889   6.8679   0.8877   5.3527   1.2312   8.5088   1.2812  443.307   54.018  564.200   44.170 -120.8930 69.77808 
1 1 1   12   36   32 o  105.575   45.404   0.0000   0.4448   0.0000   0.0000   0.0000   0.4448  ?   ?   105.575   45.404      ?      ? 
1 1 1   12   36   34 f  170.244   39.387   0.7933   0.3987   0.8745   0.5394   0.6957   0.5919  176.775   54.204  163.714   57.159 13.06149 78.77357 
1 1 1   12   36   36 o  224.024   39.857   1.4348   0.4596   1.1784   0.6154   1.7580   0.6910  201.611   56.893  246.436   55.835 -44.82530 79.71423 
1 1 1   12   36   38 o  264.534   40.060   2.0689   0.5249   2.2140   0.6982   1.8803   0.7960  278.587   50.608  250.480   62.113 28.10783 80.12015 
1 1 1   12   36   40 f  213.947   41.801   1.3785   0.4749   1.3556   0.6604   1.4030   0.6833  212.338   58.584  215.556   59.643 -3.218506 83.60260 
1 1 1   12   36   42 o  268.467   51.923   2.5956   0.9082   3.9236   1.1583   0.4766   1.4631  354.862   65.915  182.072   80.245 172.7903 103.8463 
1 1 1   12   37    1 o  148.487   39.888   0.3824   0.4405   0.0000   0.6652   0.6811   0.5880  130.350   55.778  166.624   57.034 -36.27388 79.77518 
1 1 1   12   37    3 o  299.946   51.023   2.4287   0.7882   3.4394   1.2049   1.6725   1.0422  352.672   68.925  247.220   75.252 105.4514 102.0462 
1 1 1   12   37    5 o  392.286   42.642   4.0855   0.8491   4.0493   1.1142   4.1356   1.3113  391.241   55.391  393.331   64.846 -2.089508 85.28326 
1 1 1   12   37    7 o  546.878   42.127   8.0029   1.1754   8.4725   1.5997   7.4519   1.7327  565.778   54.994  527.977   63.832 37.80164 84.25475 
1 1 1   12   37    9 o  1097.69   36.599   31.773   1.9763   31.652   2.4613   31.991   3.3158  1099.04   43.560  1096.34   58.826 2.692871 73.19814 
1 1 1   12   37   11 o  466.575   31.421   5.7957   0.7422   4.8467   1.0781   6.6507   1.0233  428.719   48.910  504.431   39.456 -75.71127 62.84119 
1 1 1   12   37   13 f  438.883   33.650   5.1793   0.7434   5.9818   1.0139   4.2466   1.0931  477.745   41.281  400.021   53.152 77.72409 67.29960 
1 1 1   12   37   15 o  520.913   52.853   7.6610   1.1968   7.8237   1.4024   7.2249   2.2964  543.341   50.202  498.485   93.023 44.85587 105.7050 
1 1 1   12   37   17 f  1057.71   50.836   29.741   2.7111   25.885   3.4461   36.004   4.3919  973.430   68.858  1141.99   74.804 -168.5594 101.6713 
1 1 1   12   37   19 o  270.962   38.721   2.0291   0.5274   1.7065   0.7684   2.3165   0.7253  246.514   60.966  295.410   47.753 -48.89532 77.44151 
1 1 1   12   37   21 o  228.491   37.112   1.4315   0.4521   0.8080   0.6316   2.0868   0.6475  176.400   59.116  280.583   44.883 -104.1831 74.22381 
1 1 1   12   37   23 o  418.311   34.546   4.6797   0.7425   4.8369   1.0464   4.5202   1.0538  425.732   47.805  410.889   49.884 14.84277 69.09217 
1 1 1   12   37   25 o  193.371   41.250   1.0349   0.4495   1.2180   0.6251   0.8390   0.6467  208.218   56.816  178.523   59.819 29.69518 82.50040 
1 1 1   12   37   27 o  1027.09   32.882   28.267   1.7340   28.878   2.4086   27.610   2.4984  1039.88   45.052  1014.30   47.909 25.57922 65.76459 
1 1 1   12   37   29 o  729.843   44.100   15.015   1.5274   14.144   2.6782   15.435   1.8594  702.604   74.142  757.081   47.772 -54.47681 88.19985 
1 1 1   12   37   31 o  568.669   45.673   9.1090   1.3334   9.1826   1.9400   9.0431   1.8358  569.546   66.252  567.792   62.886 1.753906 91.34537 
1 1 1   12   37   33 o  249.161   39.386   1.8295   0.5048   2.2808   0.6734   1.2506   0.7628  290.311   45.119  208.010   64.570 82.30081 78.77159 
1 1 1   12   37   35 f  234.518   37.511   1.5976   0.4703   2.3270   0.6604   0.8470   0.6699  292.733   43.881  176.304   60.851 116.4285 75.02282 
1 1 1   12   37   37 o  515.904   35.061   7.3455   0.9257   6.4840   1.2535   8.3788   1.3728  482.099   50.573  549.708   48.573 -67.60818 70.12157 
1 1 1   12   37   39 o  141.706   36.532   0.5054   0.3456   0.5571   0.4578   0.4370   0.5267  144.672   50.286  138.740   53.007 5.932053 73.06449 
1 1 1   12   37   41 o  173.639   44.088   0.6436   0.4657   0.3347   0.5435   1.4963   0.9030  131.739   52.788  215.539   70.630 -83.79964 88.17624 
1 1 1   12   38    0 o  416.426   65.848   5.1024   1.2184   4.1726   1.5911   6.4202   1.8942  362.435   98.776  470.417   87.105 -0.000000 0.000000 
1 1 1   12   38    2 o  108.398   31.812   0.0686   0.2854   0.1770   0.4585   0.0000   0.3646  119.754   48.308   97.042   41.404 22.71263 63.62363 
1 1 1   12   38    4 o  410.756   40.399   4.5336   0.8020   6.1946   1.1852   3.1303   1.0894  485.156   47.515  336.356   65.351 148.7995 80.79857 
1 1 1   12   38    6 o  633.490   33.343   10.497   1.0811   9.8871   1.4484   11.265   1.6247  613.216   45.940  653.764   48.338 -40.54749 66.68658 
1 1 1   12   38    8 o  310.716   32.418   2.5393   0.5169   2.5566   0.7550   2.5240   0.7093  311.507   47.140  309.925   44.513 1.581390 64.83545 
1 1 1   12   38   10 o  550.677   30.332   7.9318   0.8563   8.8103   1.2517   7.1587   1.1741  579.467   42.014  521.888   43.759 57.57837 60.66359 
1 1 1   12   38   12 o  855.148   29.963   19.335   1.3084   17.718   1.9084   20.769   1.7972  819.887   45.275  890.409   39.259 -70.52222 59.92546 
1 1 1   12   38   14 o  813.823   50.168   19.438   1.6535   20.469   1.8756   15.841   3.5025  882.479   41.340  745.167   91.424 137.3116 100.3359 
1 1 1   12   38   16 o  208.393   44.260   1.2640   0.5134   0.6536   0.9811   1.4942   0.6025  184.293   71.825  232.492   51.740 -48.19884 88.52023 
1 1 1   12   38   18 o  624.450   34.669   10.390   1.1122   9.9240   1.5708   10.859   1.5750  609.922   50.093  638.977   47.943 -29.05524 69.33849 
1 1 1   12   38   20 o  407.020   36.309   4.5010   0.7412   3.4082   1.0482   5.5940   1.0483  354.795   57.464  459.246   44.399 -104.4505 72.61765 
1 1 1   12   38   22 o  582.727   34.046   9.0842   1.0183   9.7062   1.4442   8.4692   1.4360  603.306   46.560  562.148   49.687 41.15759 68.09277 
1 1 1   12   38   24 o  311.420   37.886   2.6612   0.5896   3.0527   0.8467   2.2926   0.8215  337.309   48.826  285.531   57.942 51.77826 75.77132 
1 1 1   12   38   26 o  571.853   34.469   8.7841   1.0126   8.3756   1.4000   9.2323   1.4662  557.899   48.811  585.806   48.683 -27.90680 68.93894 
1 1 1   12   38   28 o  405.770   46.924   4.7903   0.8811   4.3450   1.5188   5.0162   1.0817  380.634   80.145  430.906   48.826 -50.27173 93.84729 
1 1 1   12   38   30 o  163.430   60.227   0.6378   0.6668   0.6378   0.6668   0.0000   0.0000  163.430   60.227  ?   ?       ?      ? 
1 1 1   12   38   32 o  294.385   42.642   2.1146   0.6512   4.5529   1.1215   0.8745   0.7998  405.626   53.780  183.144   66.191 222.4820 85.28483 
1 1 1   12   38   34 o  358.789   37.458   3.5629   0.6590   2.6665   0.8808   4.7032   0.9934  303.044   58.651  414.534   46.610 -111.4903 74.91599 
1 1 1   12   38   36 o  572.540   37.253   9.2885   1.0256   5.6413   1.4015   13.493   1.5048  440.848   61.837  704.233   41.560 -263.3847 74.50521 
1 1 1   12   38   38 o  269.917   40.481   2.1521   0.5563   2.6331   0.7950   1.6907   0.7786  305.240   50.657  234.594   63.157 70.64549 80.96262 
1 1 1   12   38   40 o  142.548   39.163   0.2297   0.3645   0.0000   0.4136   1.0299   0.7718   99.783   43.346  185.314   65.238 -85.53101 78.32510 
1 1 1   12   39    1 o  850.899   36.986   19.285   1.6078   16.943   2.2819   21.592   2.2657  797.669   55.642  904.128   48.743 -106.4595 73.97221 
1 1 1   12   39    3 o  490.870   37.412   6.4434   0.9365   5.7159   1.3529   7.1127   1.2977  462.866   56.853  518.874   48.647 -56.00806 74.82482 
1 1 1   12   39    5 o  517.066   33.841   6.9111   0.8898   5.8212   1.1679   8.4190   1.3738  469.350   48.400  564.782   47.311 -95.43250 67.68250 
1 1 1   12   39    7 o  1087.78   30.234   31.124   1.6866   30.746   2.4652   31.457   2.3124  1080.64   44.372  1094.92   41.078 -14.28040 60.46738 
1 1 1   12   39    9 o  142.795   32.438   0.4810   0.2966   0.8238   0.4138   0.1188   0.4253  173.591   45.728  111.998   46.019 61.59366 64.87517 
1 1 1   12   39   11 o  248.839   36.178   1.7049   0.4473   1.6201   0.6390   1.7864   0.6263  242.202   52.804  255.476   49.468 -13.27373 72.35550 
1 1 1   12   39   13 o  143.143   53.425   0.4314   0.5280   0.4314   0.5280   0.0000   0.0000  143.143   53.425  ?   ?       ?      ? 
1 1 1   12   39   15 o  412.700   49.219   5.2314   0.9194   3.3929   1.5218   6.2883   1.1539  338.467   86.981  486.934   46.091 -148.4671 98.43771 
1 1 1   12   39   17 o  378.230   38.871   3.8408   0.7261   4.9103   1.0918   2.9925   0.9723  428.803   49.524  327.658   59.926 101.1457 77.74165 
1 1 1   12   39   19 o  905.741   34.567   21.917   1.6089   22.759   2.3128   21.128   2.2397  922.674   48.756  888.808   49.014 33.86566 69.13363 
1 1 1   12   39   21 o  434.835   35.308   5.0919   0.7861   4.6303   1.1195   5.5408   1.1041  414.340   52.554  455.330   47.166 -40.99008 70.61545 
1 1 1   12   39   23 o  340.491   37.266   3.1633   0.6298   2.5778   0.8644   3.8257   0.9195  303.109   57.576  377.872   47.330 -74.76245 74.53223 
1 1 1   12   39   25 o  218.043   35.419   1.2735   0.4433   2.2849   0.6445   0.3655   0.6107  292.756   42.823  143.330   56.430 149.4255 70.83849 
1 1 1   12   39   27 o  495.326   48.767   6.9435   1.2245   7.1079   1.8997   6.8268   1.6015  496.460   74.428  494.191   63.033 2.268311 97.53350 
1 1 1   12   39   29 o  335.671   59.035   2.9938   1.0349   1.6096   1.2639   5.8102   1.8029  235.760   83.431  435.582   83.546 -199.8214 118.0703 
1 1 1   12   39   31 o  533.472   34.456   7.7745   0.9442   7.5105   1.3017   8.0675   1.3716  524.214   48.297  542.730   49.154 -18.51593 68.91143 
1 1 1   12   39   33 o  183.751   38.895   0.9021   0.4102   0.5332   0.5406   1.4028   0.6298  148.083   54.278  219.418   55.724 -71.33539 77.78989 
1 1 1   12   39   35 o  555.097   36.003   8.4541   1.0052   6.3592   1.3346   11.201   1.5282  473.520   54.821  636.674   46.686 -163.1543 72.00671 
1 1 1   12   39   37 f  300.354   38.708   2.6193   0.5837   2.3447   0.8130   2.9115   0.8386  280.073   58.353  320.635   50.873 -40.56152 77.41537 
1 1 1   12   39   39 o  313.275   38.278   2.8866   0.6026   2.9222   0.8338   2.8477   0.8718  318.922   50.851  307.627   57.229 11.29507 76.55694 
1 1 1   12   40    0 o  140.106   52.734   0.4934   0.5502   0.0000   0.6904   1.3526   0.9110   93.989   60.796  186.224   86.183 -0.000000 0.000000 
1 1 1   12   40    2 o  736.065   37.025   14.398   1.3993   15.472   2.0224   13.411   1.9380  762.731   51.574  709.399   53.137 53.33105 74.04958 
1 1 1   12   40    4 o  261.531   43.468   1.9105   0.5846   2.5115   0.8421   1.3516   0.8121  301.993   56.308  221.069   66.237 80.92384 86.93596 
1 1 1   12   40    6 o  361.343   38.553   3.6641   0.6688   4.4788   0.9076   2.6962   0.9893  412.346   42.813  310.341   64.128 102.0048 77.10581 
1 1 1   12   40    8 o  1078.28   30.427   30.686   1.6819   30.249   2.4631   31.068   2.3022  1069.96   44.776  1086.59   41.210 -16.63562 60.85338 
1 1 1   12   40   10 o  668.800   40.920   12.187   1.3881   13.903   1.9232   10.321   2.0056  721.539   51.844  616.061   63.323 105.4777 81.83901 
1 1 1   12   40   12 f  629.841   45.548   10.661   1.4618   12.226   2.2582   9.5328   1.9179  668.211   65.732  591.470   63.070 76.74139 91.09619 
1 1 1   12   40   14 o  343.797   38.491   3.2430   0.6586   2.9537   0.9649   3.4952   0.9011  325.510   59.861  362.085   48.403 -36.57422 76.98209 
1 1 1   12   40   16 o  228.544   40.377   1.5097   0.4833   1.0486   0.7291   1.8710   0.6455  196.587   63.401  260.501   50.014 -63.91464 80.75327 
1 1 1   12   40   18 o  410.459   37.212   4.5200   0.7832   4.9968   1.1490   4.1063   1.0703  430.852   51.871  390.065   53.371 40.78741 74.42496 
1 1 1   12   40   20 o  366.994   38.188   3.7479   0.6869   2.9922   0.9902   4.4489   0.9537  325.668   61.394  408.319   45.432 -82.65091 76.37616 
1 1 1   12   40   22 o  212.913   40.084   1.2792   0.4472   1.1723   0.6230   1.3927   0.6423  203.966   57.133  221.861   56.238 -17.89551 80.16784 
1 1 1   12   40   24 o  374.469   51.947   4.5029   0.8870   3.0066   1.5843   5.1863   1.0706  309.988   92.431  438.950   47.440 -128.9619 103.8944 
1 1 1   12   40   26 o  237.623   48.316   1.7002   0.6791   0.7481   1.0550   2.3739   0.8875  188.254   74.153  286.993   61.961 -98.73859 96.63268 
1 1 1   12   40   28 o  446.620   57.093   5.5527   1.2395   4.2344   1.5235   8.1339   2.1318  370.480   82.141  522.759   79.319 -152.2796 114.1867 
1 1 1   12   40   30 o  569.360   35.791   8.9636   1.0422   9.4616   1.4334   8.4052   1.5179  588.559   47.371  550.161   53.665 38.39813 71.58200 
1 1 1   12   40   32 o  404.154   36.934   4.5429   0.7663   4.2518   1.0533   4.8703   1.1169  390.278   52.493  418.030   51.970 -27.75128 73.86774 
1 1 1   12   40   34 o  458.367   36.479   5.9154   0.8565   6.0547   1.1732   5.7565   1.2532  466.100   48.958  450.634   54.092 15.46603 72.95766 
1 1 1   12   40   36 o  157.787   39.199   0.6802   0.3951   0.7420   0.5449   0.6118   0.5737  162.327   54.910  153.248   55.956 9.078461 78.39753 
1 1 1   12   40   38 o  308.351   41.415   2.9439   0.6303   3.7094   0.8702   2.0992   0.9141  362.036   46.752  254.667   68.375 107.3689 82.83060 
1 1 1   12   41    1 o  319.717   42.459   2.8364   0.6718   2.9433   0.9741   2.7394   0.9277  325.444   60.444  313.990   59.646 11.45328 84.91818 
1 1 1   12   41    3 o  446.876   38.430   5.3171   0.8797   5.9693   1.3026   4.7703   1.1928  472.127   53.665  421.625   55.024 50.50134 76.86092 
1 1 1   12   41    5 o  596.315   45.417   9.2693   1.2922   10.884   2.3779   8.5926   1.5393  626.016   73.882  566.615   52.840 59.40167 90.83309 
1 1 1   12   41    7 o  858.711   48.805   20.056   2.0066   19.598   2.4252   21.050   3.5731  853.697   55.256  863.726   80.464 -10.02856 97.60947 
1 1 1   12   41    9 o  808.150   39.918   17.586   1.6560   17.028   2.2670   18.224   2.4248  795.109   55.457  821.192   57.432 -26.08276 79.83696 
1 1 1   12   41   11 o  439.711   35.622   5.1917   0.7841   5.0855   1.2513   5.2603   1.0062  433.930   56.087  445.492   43.931 -11.56161 71.24362 
1 1 1   12   41   13 o  391.452   35.857   4.2826   0.6676   2.8956   0.9548   5.6096   0.9339  321.720   59.929  461.184   39.387 -139.4632 71.71335 
1 1 1   12   41   15 o  446.101   36.850   5.3236   0.8400   6.2100   1.2376   4.5665   1.1437  481.103   50.035  411.100   54.112 70.00287 73.69946 
1 1 1   12   41   17 o  279.340   42.117   2.1969   0.5843   2.2956   0.8711   2.1163   0.7878  284.474   61.362  274.207   57.707 10.26682 84.23434 
1 1 1   12   41   19 o  387.446   36.841   4.0739   0.7307   3.7782   1.0533   4.3484   1.0147  372.761   54.958  402.132   49.079 -29.37076 73.68289 
1 1 1   12   41   21 o  370.976   37.272   3.7350   0.7105   3.8041   1.0237   3.6708   0.9870  374.089   53.229  367.862   52.186 6.227051 74.54323 
1 1 1   12   41   23 o  120.612   36.952   0.0854   0.3106   0.0000   0.8346   0.0991   0.3347  141.904   61.610   99.319   40.818 42.58438 73.90475 
1 1 1   12   41   25 o  261.297   43.820   2.0398   0.6047   2.5708   0.7982   1.3244   0.9265  307.089   50.559  215.505   71.586 91.58383 87.64009 
1 1 1   12   41   27 o  188.258   51.234   0.8474   0.6856   0.9874   0.8347   0.5570   1.2023  191.429   67.793  185.087   76.837 6.341171 102.4682 
1 1 1   12   41   29 o  1057.27   34.699   30.768   1.8815   31.493   2.5950   29.965   2.7320  1073.21   47.031  1041.33   51.030 31.87256 69.39703 
1 1 1   12   41   31 o  795.031   35.126   17.491   1.4338   16.715   1.9650   18.374   2.0967  776.790   49.202  813.271   50.146 -36.48065 70.25287 
1 1 1   12   41   33 f  329.353   41.929   3.1846   0.6913   3.3173   0.9480   3.0338   1.0102  341.763   53.951  316.944   64.198 24.81976 83.85743 
1 1 1   12   41   35 o  536.448   39.081   8.4845   1.0432   10.245   1.4386   6.5320   1.5150  605.391   46.221  467.505   63.031 137.8858 78.16231 
1 1 1   12   42    0 o  158.722   89.477   0.9494   1.1139   0.0000   0.0000   0.9494   1.1139  158.722   89.477  158.722   89.477 -0.000000 0.000000 
1 1 1   12   42    2 o  477.056   60.901   6.6143   1.4610   6.9102   2.0537   6.3111   2.0789  493.517   80.941  460.595   91.018 32.92215 121.8013 
1 1 1   12   42    4 o  147.381   40.885   0.3829   0.4541   0.0000   0.7882   0.5731   0.5556  139.715   60.266  155.047   55.267 -15.33228 81.77096 
1 1 1   12   42    6 o  654.558   50.833   11.815   1.5690   11.629   1.8779   12.247   2.8556  656.259   55.659  652.856   85.077 3.403503 101.6659 
1 1 1   12   42    8 o  369.639   44.423   3.7440   0.8211   3.2231   1.1002   4.3991   1.2337  337.356   65.797  401.923   59.703 -64.56757 88.84635 
1 1 1   12   42   10 o  352.824   35.907   3.2618   0.6396   3.7635   1.0289   2.9458   0.8166  373.565   53.571  332.082   47.826 41.48312 71.81373 
1 1 1   12   42   12 o  553.057   44.074   8.6852   1.0707   7.7823   2.0899   9.0065   1.2467  523.034   77.720  583.079   41.588 -60.04437 88.14776 
1 1 1   12   42   14 o  383.024   50.950   5.0035   0.8389   2.5936   1.5874   5.9373   0.9882  292.534   93.467  473.515   40.591 -180.9804 101.9004 
1 1 1   12   42   16 o  418.413   52.670   6.1749   1.0100   2.1643   1.6664   8.5037   1.2698  271.849   95.841  564.977   43.716 -293.1288 105.3408 
1 1 1   12   42   18 o  547.486   36.388   8.1134   1.0235   8.0961   1.4743   8.1295   1.4220  546.371   52.483  548.601   50.418 -2.229187 72.77679 
1 1 1   12   42   20 o  147.723   41.349   0.3830   0.3967   0.4240   0.8771   0.3725   0.4448  164.018   66.587  131.427   49.041 32.59181 82.69755 
1 1 1   12   42   22 o  652.740   63.753   14.063   1.8189   9.2533   2.9766   16.929   2.2978  522.474  114.016  783.007   57.080 -260.5332 127.5063 
1 1 1   12   42   24 o  269.457   42.550   2.1085   0.5760   1.8274   0.8211   2.3808   0.8082  249.770   63.730  289.145   56.395 -39.37488 85.09983 
1 1 1   12   42   26 o  171.214   47.368   0.6338   0.5940   0.6710   0.7506   0.5716   0.9715  168.444   63.536  173.984   70.271 -5.540298 94.73534 
1 1 1   12   42   28 o  817.163   35.154   18.425   1.4766   18.017   2.0659   18.851   2.1114  807.890   49.738  826.436   49.692 -18.54584 70.30719 
1 1 1   12   42   30 o  551.152   36.902   8.4826   1.0402   7.3892   1.4310   9.7074   1.5146  511.645   54.402  590.658   49.874 -79.01352 73.80405 
1 1 1   12   42   32 o  311.598   39.067   2.8023   0.6071   2.3152   0.8360   3.3461   0.8832  277.923   60.245  345.274   49.756 -67.35120 78.13475 
1 1 1   12   42   34 o  932.361   35.618   24.809   1.6996   26.160   2.3478   23.322   2.4635  964.336   47.354  900.386   53.217 63.95074 71.23539 
1 1 1   12   43    1 o  232.894   56.841   1.4242   0.8416   0.9544   1.1489   1.9683   1.2363  205.245   78.318  260.543   82.402 -55.29846 113.6827 
1 1 1   12   43    3 o  304.563   54.944   2.7621   0.8152   2.8605   0.9659   2.5185   1.5199  318.997   61.118  290.129   91.324 28.86844 109.8882 
1 1 1   12   43    5 o  214.104   47.160   1.0204   0.5607   0.5698   0.6700   2.0739   1.0244  160.913   60.159  267.295   72.645 -106.3825 94.32089 
1 1 1   12   43    7 o  515.849   59.045   7.6552   1.5224   6.6028   2.0380   8.9838   2.2899  471.034   87.375  560.665   79.441 -89.63120 118.0899 
1 1 1   12   43    9 o  249.363   47.577   1.7074   0.6206   1.3194   0.7976   2.3025   0.9878  216.442   65.824  282.284   68.712 -65.84204 95.15317 
1 1 1   12   43   11 o  592.316   41.820   9.4986   1.2550   7.5041   1.6914   11.942   1.8721  521.362   63.102  663.270   54.898 -141.9078 83.64005 
1 1 1   12   43   13 o  350.248   46.547   3.4929   0.8035   3.6250   1.0482   3.3046   1.2514  364.749   55.894  335.747   74.447 29.00272 93.09431 
1 1 1   12   43   15 o  1160.99   35.771   36.426   2.1298   36.334   3.1190   36.508   2.9154  1157.53   52.410  1164.44   48.698 -6.913940 71.54248 
1 1 1   12   43   17 f  597.825   36.603   9.7012   1.1218   9.7442   1.6504   9.6642   1.5294  597.850   53.693  597.801   49.763 0.4858398E-01 73.20680 
1 1 1   12   43   19 o  401.441   63.550   4.5157   1.3116   0.0000   0.0000   4.5157   1.3116  ?   ?   401.441   63.550      ?      ? 
1 1 1   12   43   21 o  551.988   54.197   9.3850   1.3699   5.5892   1.9727   12.920   1.9037  418.565   93.972  685.410   54.023 -266.8448 108.3942 
1 1 1   12   43   23 o  310.465   48.034   2.9453   0.7280   2.3987   1.2374   3.2346   0.9003  277.598   81.412  343.332   51.002 -65.73413 96.06803 
1 1 1   12   43   25 o  277.487   53.757   2.1426   0.7929   1.3675   0.9869   3.5544   1.3319  216.355   73.890  338.618   78.099 -122.2634 107.5137 
1 1 1   12   43   27 o  611.761   42.300   10.167   1.2919   13.062   2.1682   8.5739   1.6087  672.958   62.668  550.563   56.832 122.3950 84.60004 
1 1 1   12   43   29 o  296.215   46.621   2.7668   0.6942   2.0853   1.1191   3.1931   0.8851  254.744   78.068  337.686   50.984 -82.94150 93.24104 
1 1 1   12   43   31 o  632.846   42.115   11.299   1.3404   13.731   2.1918   9.8461   1.6941  681.456   62.560  584.236   56.401 97.21954 84.23053 
1 1 1   12   43   33 o  258.379   49.011   2.2424   0.7005   1.4313   1.0781   2.8351   0.9216  211.768   76.801  304.989   60.908 -93.22078 98.02123 
1 1 1   12   44    0 o  246.683  113.265   2.4976   1.5722   2.4976   1.5722   0.0000   0.0000  246.683  113.265  246.683  113.265 0.000000 0.000000 
1 1 1   12   44    2 o  738.676   49.641   15.379   1.7190   15.022   3.1052   15.537   2.0642  719.225   83.977  758.127   52.958 -38.90125 99.28132 
1 1 1   12   44    4 o  283.094   52.859   1.9898   0.7030   3.3212   1.4237   1.5605   0.8085  332.623   83.404  233.566   64.962 99.05652 105.7184 
1 1 1   12   44    6 f  559.932   60.987   10.898   1.4030   5.4886   2.4389   13.573   1.7151  407.758  112.619  712.106   46.847 -304.3474 121.9740 
1 1 1   12   44    8 o  477.960   40.577   6.3728   0.9720   5.3199   1.4556   7.2200   1.3058  437.732   64.681  518.188   49.013 -80.45612 81.15392 
1 1 1   12   44   10 o  701.782   37.587   13.254   1.3186   12.901   1.6719   13.835   2.1448  693.606   46.885  709.957   58.762 -16.35028 75.17411 
1 1 1   12   44   12 o  264.819   45.642   2.0194   0.5933   2.0257   0.7293   2.0072   1.0200  268.468   54.696  261.170   73.083 7.297852 91.28404 
1 1 1   12   44   14 o  433.203   47.667   5.8621   0.9133   6.9493   1.1369   3.8832   1.5338  509.897   43.366  356.508   84.899 153.3885 95.33312 
1 1 1   12   44   16 o  270.676   48.775   2.3457   0.8465   3.5832   1.0462   0.0000   1.4405  360.808   56.400  180.544   79.594 180.2640 97.55095 
1 1 1   12   44   18 o  740.397   87.488   16.638   3.3303   16.638   3.3303   0.0000   0.0000  740.397   87.488  ?   ?       ?      ? 
1 1 1   12   44   20 o  260.603   52.157   2.0826   0.6864   2.1740   0.7943   1.8132   1.3635  275.052   57.999  246.153   86.704 28.89835 104.3140 
1 1 1   12   44   22 o  137.570   40.851   0.2247   0.4451   0.2982   0.5128   0.0000   0.8965  130.208   51.567  144.932   63.372 -14.72382 81.70193 
1 1 1   12   44   24 o  224.128   53.409   1.2131   0.7002   0.6990   0.8349   2.4324   1.2857  172.934   66.574  275.322   83.536 -102.3883 106.8189 
1 1 1   12   44   26 o  476.608   62.515   9.6592   1.3936   12.281   1.6476   3.0677   2.6126  666.630   48.073  286.586  115.418 380.0440 125.0292 
1 1 1   12   44   28 o  705.557   78.172   23.083   2.0728   27.898   2.4057   9.2057   4.0841  1003.44   46.631  407.673  149.229 595.7677 156.3448 
1 1 1   12   44   30 o  287.029   55.446   2.5687   0.7543   2.4042   0.8628   3.1024   1.5539  281.394   61.369  292.664   92.364 -11.26923 110.8926 
1 1 1   12   44   32 f  354.804   56.703   5.1218   1.0126   5.9669   1.1649   2.5097   2.0481  457.193   49.560  252.416  102.003 204.7765 113.4057 
1 1 1   12   45    1 o  759.946   38.125   15.700   1.4892   15.433   2.1167   15.962   2.0955  752.963   54.678  766.929   53.145 -13.96600 76.25060 
1 1 1   12   45    3 o  511.928   39.423   7.1938   1.0303   6.5291   1.4937   7.7972   1.4230  487.083   59.647  536.774   51.565 -49.69113 78.84616 
1 1 1   12   45    5 o  414.169   40.013   4.6694   0.8493   4.9931   1.2639   4.4028   1.1469  426.736   57.610  401.602   55.545 25.13351 80.02602 
1 1 1   12   45    7 o  163.116   37.746   0.7046   0.3818   0.9496   0.5023   0.3693   0.5875  184.391   51.175  141.840   55.499 42.55109 75.49220 
1 1 1   12   45    9 f  959.072   31.109   24.577   1.5316   25.092   2.2370   24.122   2.1014  967.688   44.964  950.455   43.003 17.23291 62.21788 
1 1 1   12   45   11 o  303.463   35.282   2.4999   0.5352   2.9314   0.7990   2.1487   0.7209  329.852   47.117  277.074   52.529 52.77722 70.56370 
1 1 1   12   45   13 o  248.665   42.916   1.6989   0.5195   2.0764   0.9080   1.5152   0.6334  266.338   66.510  230.992   54.255 35.34523 85.83241 
1 1 1   12   45   15 o  219.151   46.948   1.4032   0.5961   0.9307   0.8929   1.7831   0.8006  190.835   69.787  247.467   62.818 -56.63181 93.89550 
1 1 1   12   45   17 o  378.922   46.831   4.5455   0.8152   5.5892   1.0368   2.8555   1.3194  455.193   44.303  302.651   82.521 152.5417 93.66130 
1 1 1   12   45   19 o  180.939   39.282   0.7696   0.4454   1.5720   0.6830   0.1761   0.5874  232.919   57.407  128.959   53.635 103.9604 78.56380 
1 1 1   12   45   21 o  510.315   65.806   9.4108   1.4073   10.583   1.6477   6.2498   2.7056  618.109   51.850  402.520  120.967 215.5896 131.6111 
1 1 1   12   45   23 o  423.312   48.000   5.5918   0.9345   4.2968   1.5325   6.3582   1.1790  366.085   83.298  480.539   47.723 -114.4543 96.00055 
1 1 1   12   45   25 o  670.641   37.391   12.666   1.2853   13.852   1.8326   11.517   1.8031  703.990   50.634  637.292   55.032 66.69855 74.78190 
1 1 1   12   45   27 o  480.182   38.302   6.5751   0.9351   7.7986   1.3492   5.4443   1.2971  526.847   49.811  433.516   58.198 93.33163 76.60352 
1 1 1   12   45   29 o  540.365   56.346   9.1491   1.3431   8.7661   1.5737   10.176   2.5769  549.520   55.703  531.210   97.963 18.30981 112.6921 
1 1 1   12   46    0 o  1154.82   55.918   37.191   3.2499   35.337   4.8605   38.691   4.3705  1121.27   85.455  1188.38   72.143 0.000000 0.000000 
1 1 1   12   46    2 o  253.283   44.297   1.7998   0.6011   2.7452   0.8947   1.0217   0.8117  311.678   57.965  194.887   66.999 116.7908 88.59335 
1 1 1   12   46    4 o  676.771   39.194   12.578   1.3591   12.263   1.9881   12.855   1.8622  666.796   57.993  686.747   52.741 -19.95142 78.38866 
1 1 1   12   46    6 o  303.000   44.407   2.6312   0.6693   3.0824   0.9728   2.2256   0.9224  329.613   59.597  276.386   65.849 53.22659 88.81387 
1 1 1   12   46    8 o  621.198   39.885   10.762   1.2499   9.7386   1.8960   11.548   1.6623  590.007   62.505  652.389   49.560 -62.38171 79.76948 
1 1 1   12   46   10 f  1007.56   43.919   28.479   2.2693   29.076   3.1260   27.814   3.2994  1022.19   59.483  992.932   64.632 29.25629 87.83832 
1 1 1   12   46   12 o  1066.59   43.995   31.990   2.4119   31.907   3.3708   32.076   3.4524  1066.25   61.490  1066.93   62.939 -0.6710205 87.99046 
1 1 1   12   46   14 o  861.012   37.941   19.954   1.6224   18.594   2.0204   22.424   2.7223  827.050   47.516  894.974   59.163 -67.92334 75.88177 
1 1 1   12   46   16 o  221.876   41.729   1.4313   0.4864   1.6044   0.6918   1.2622   0.6839  235.228   57.649  208.523   60.347 26.70451 83.45787 
1 1 1   12   46   18 o  432.931   35.883   5.1892   0.7933   5.3513   1.0743   4.9949   1.1764  442.370   47.236  423.492   54.030 18.87833 71.76674 
1 1 1   12   46   20 o  213.443   51.435   1.1471   0.6046   0.8932   0.6967   1.9219   1.2169  179.848   62.058  247.037   82.044 -67.18871 102.8708 
1 1 1   12   46   22 o  391.130   44.726   4.3119   0.8639   5.5641   1.3926   3.5285   1.1016  438.442   61.779  343.818   64.692 94.62418 89.45201 
1 1 1   12   46   24 o  338.870   42.896   3.4955   0.7187   5.9707   1.0563   1.3623   0.9806  465.962   44.093  211.777   73.594 254.1842 85.79250 
1 1 1   12   46   26 o  121.677   33.957   0.2182   0.3211   0.5065   0.4891   0.0000   0.4256  141.691   51.676  101.664   44.067 40.02691 67.91399 
1 1 1   12   46   28 o  438.681   43.031   5.8209   0.8971   7.8546   1.2921   3.9283   1.2465  527.208   47.670  350.155   71.654 177.0524 86.06273 
1 1 1   12   47    1 o  250.824   55.753   1.8863   0.8060   2.1138   1.1340   1.6540   1.1457  264.245   78.064  237.403   79.621 26.84216 111.5053 
1 1 1   12   47    3 o  240.226   54.358   1.6963   0.7564   1.8901   1.1305   1.5392   1.0178  250.812   78.730  229.639   74.971 21.17299 108.7150 
1 1 1   12   47    5 o  379.152   62.292   4.5695   1.1908   4.0126   1.7935   5.0085   1.5925  350.790   96.448  407.513   78.860 -56.72232 124.5834 
1 1 1   12   47    7 o  513.557   56.952   7.8997   1.4372   7.9374   2.2548   7.8739   1.8652  503.714   90.387  523.400   69.314 -19.68607 113.9041 
1 1 1   12   47    9 o  387.804   42.550   3.8620   0.7908   2.8117   0.9652   6.0076   1.3795  311.407   62.458  464.201   57.802 -152.7932 85.09984 
1 1 1   12   47   11 o  201.048   41.208   1.1707   0.4594   1.4060   0.6265   0.8971   0.6756  221.066   55.267  181.030   61.139 40.03572 82.41599 
1 1 1   12   47   13 o  442.388   40.693   5.5868   0.8585   5.1628   1.4816   5.8012   1.0534  421.994   68.289  462.782   44.274 -40.78787 81.38522 
1 1 1   12   47   15 o  662.037   35.106   12.119   1.1860   12.621   1.6076   11.520   1.7567  680.283   45.966  643.791   53.076 36.49194 70.21281 
1 1 1   12   47   17 o  738.835   32.859   15.051   1.2382   13.329   1.7811   16.662   1.7224  694.149   49.907  783.522   42.758 -89.37262 65.71888 
1 1 1   12   47   19 o  154.800   45.095   0.3369   0.5405   0.1960   0.6490   0.6558   0.9762  133.828   56.078  175.773   70.635 -41.94473 90.18914 
1 1 1   12   47   21 o  339.059   48.655   3.3613   0.7936   4.2041   1.3392   2.9052   0.9852  367.341   73.478  310.776   63.800 56.56522 97.31069 
1 1 1   12   47   23 o  309.072   43.005   2.8621   0.6683   1.6983   0.9163   4.1847   0.9767  232.049   70.544  386.094   49.206 -154.0451 86.00970 
1 1 1   12   47   25 o  158.668   39.745   0.6895   0.4048   0.6991   0.5979   0.6814   0.5500  160.064   57.304  157.272   55.090 2.792267 79.49025 
1 1 1   12   47   27 o  218.283   42.870   1.5214   0.5104   1.1412   0.7887   1.7952   0.6694  192.333   66.048  244.232   54.673 -51.89948 85.74055 
1 1 1   12   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48    2 o  488.985   61.972   7.6559   1.4721   5.7029   2.1792   9.2950   1.9964  410.320  103.356  567.649   68.406 -157.3297 123.9433 
1 1 1   12   48    4 o  446.631   51.129   5.9982   1.0999   6.4835   1.4256   5.2845   1.7287  481.584   57.580  411.678   84.506 69.90652 102.2578 
1 1 1   12   48    6 o  179.960   42.834   0.8582   0.4831   0.5380   0.6738   1.1970   0.6930  156.455   59.909  203.466   61.237 -47.01099 85.66797 
1 1 1   12   48    8 o  187.081   39.450   1.0124   0.4317   1.3479   0.5700   0.5611   0.6610  217.123   51.786  157.039   59.528 60.08380 78.90067 
1 1 1   12   48   10 o  276.863   45.938   2.1021   0.6243   1.6106   0.7685   3.0558   1.0706  233.341   62.715  320.385   67.143 -87.04378 91.87690 
1 1 1   12   48   12 o  469.738   64.878   8.8284   1.2576   10.053   1.4202   4.3805   2.7065  607.016   45.508  332.460  121.514 274.5555 129.7564 
1 1 1   12   48   14 o  288.996   37.704   2.4237   0.5375   1.8586   0.7830   2.9272   0.7391  250.187   61.343  327.805   43.856 -77.61850 75.40724 
1 1 1   12   48   16 o  1346.87   31.661   49.672   2.1896   50.167   3.1830   49.227   3.0168  1351.29   45.816  1342.45   43.710 8.836182 63.32179 
1 1 1   12   48   18 o  834.883   43.643   20.350   1.8441   20.707   2.4297   19.865   2.8323  853.050   55.400  816.717   67.452 36.33276 87.28641 
1 1 1   12   48   20 o  639.658   35.863   11.572   1.1676   11.912   1.5643   11.145   1.7544  654.805   46.468  624.510   54.640 30.29510 71.72688 
1 1 1   12   48   22 o  251.222   40.405   1.9283   0.5530   0.9411   0.7889   2.8823   0.7755  181.631   65.722  320.812   47.019 -139.1806 80.80910 
1 1 1   12   48   24 o  381.803   43.783   4.4088   0.8369   3.9563   1.1698   4.8831   1.1977  356.224   66.316  407.382   57.184 -51.15775 87.56601 
1 1 1   12   49    1 o  796.496   49.246   18.710   1.9064   18.024   3.1995   19.088   2.3738  767.734   81.060  825.258   55.948 -57.52484 98.49260 
1 1 1   12   49    3 o  646.478   55.369   12.423   1.8026   16.114   2.7213   9.5381   2.4062  738.533   71.670  554.423   84.417 184.1097 110.7373 
1 1 1   12   49    5 o  590.266   64.997   11.656   1.7826   8.5729   2.7598   13.864   2.3350  488.794  112.195  691.737   65.657 -202.9439 129.9944 
1 1 1   12   49    7 o  431.257   57.414   5.9291   1.1241   5.3518   2.0353   6.1825   1.3484  393.704  100.277  468.810   55.945 -75.10562 114.8278 
1 1 1   12   49    9 o  225.957   45.981   1.5093   0.5584   1.7146   0.8591   1.3591   0.7348  237.906   67.250  214.008   62.726 23.89720 91.96289 
1 1 1   12   49   11 o  492.176   36.558   6.8406   0.9107   7.5102   1.2336   6.0385   1.3502  523.117   45.867  461.236   56.939 61.88132 73.11513 
1 1 1   12   49   13 o  154.823   37.403   0.5743   0.3783   0.2243   0.5113   0.9975   0.5623  124.244   50.686  185.402   55.016 -61.15832 74.80557 
1 1 1   12   49   15 o  216.588   51.153   1.4174   0.6168   1.4533   0.7011   1.2948   1.2969  220.100   60.215  213.077   82.709 7.022079 102.3070 
1 1 1   12   49   17 o  205.692   52.790   1.2180   0.6609   1.1902   0.7624   1.3020   1.3259  199.050   64.884  212.333   83.290 -13.28380 105.5801 
1 1 1   12   49   19 o  462.885   36.042   6.2021   0.8235   4.4244   1.1728   7.9307   1.1565  388.906   58.656  536.864   41.899 -147.9579 72.08380 
1 1 1   12   49   21 o  158.209   38.414   0.6305   0.3988   0.2618   0.5385   1.0783   0.5935  127.098   51.951  189.320   56.600 -62.22137 76.82767 
1 1 1   12   50    0 o  126.472   51.476   0.3624   0.5247   0.0000   0.6345   1.1468   0.9335   88.536   57.645  164.407   85.300 -0.000000 0.000000 
1 1 1   12   50    2 o  472.967   42.239   6.4237   1.0224   5.8197   1.4515   7.0185   1.4404  448.109   63.004  497.824   56.278 -49.71564 84.47851 
1 1 1   12   50    4 o  386.467   46.640   4.4995   0.8765   3.1737   1.2393   5.8266   1.2399  317.098   76.826  455.836   52.904 -138.7378 93.27963 
1 1 1   12   50    6 o  349.132   45.232   3.6113   0.7898   3.3760   1.1548   3.8180   1.0825  332.377   69.799  365.887   57.547 -33.51031 90.46322 
1 1 1   12   50    8 o  287.793   52.007   2.8714   0.8347   1.4079   1.4904   3.5403   1.0075  222.451   87.973  353.135   55.494 -130.6844 104.0133 
1 1 1   12   50   10 o  338.228   48.205   3.4343   0.8055   4.1602   1.2256   2.8823   1.0688  371.093   66.690  305.362   69.622 65.73129 96.40923 
1 1 1   12   50   12 o  228.119   43.531   1.2676   0.5177   2.6406   0.9545   0.6954   0.6162  294.508   64.799  161.730   58.146 132.7787 87.06242 
1 1 1   12   50   14 o  296.969   53.150   2.4858   0.9398   5.3210   1.5037   0.6681   1.2040  411.181   73.843  182.758   76.464 228.4231 106.2999 
1 1 1   12   50   16 o  398.785   53.719   4.4873   0.9557   6.5721   1.9464   3.8250   1.0970  436.525   89.723  361.046   59.099 75.47937 107.4382 
1 1 1   12   50   18 o  420.191   38.941   5.1323   0.8397   5.1054   1.1535   5.1627   1.2247  420.513   53.355  419.870   56.735 0.6434631 77.88179 
1 1 1   12   51    1 o  441.267   45.032   5.7723   0.9834   4.7561   1.3753   6.8353   1.4066  393.426   70.586  489.108   55.938 -95.68182 90.06335 
1 1 1   12   51    3 o  598.992   41.993   10.346   1.2780   12.459   1.8651   8.4765   1.7546  661.391   54.850  536.593   63.602 124.7980 83.98656 
1 1 1   12   51    5 o  500.321   42.528   7.2585   1.0893   8.1794   1.5830   6.4303   1.5013  532.583   57.813  468.058   62.388 64.52557 85.05674 
1 1 1   12   51    7 o  415.216   46.509   5.1953   0.9112   7.7899   1.3483   3.0143   1.2362  526.698   49.792  303.734   78.570 222.9643 93.01869 
1 1 1   12   51    9 o  354.209   44.280   3.7708   0.7808   3.3970   1.1389   4.1024   1.0726  330.423   69.258  377.994   55.193 -47.57178 88.56032 
1 1 1   12   51   11 o  267.888   58.751   2.3211   0.8025   2.2176   0.9089   2.6872   1.7094  266.464   66.547  269.311   96.840 -2.847046 117.5013 
1 1 1   12   51   13 o  373.953   48.229   4.2337   0.8975   3.3384   1.1857   5.4346   1.3733  321.723   73.320  426.182   62.676 -104.4599 96.45779 
1 1 1   12   51   15 o  523.271   44.444   8.5851   1.0842   7.0777   1.8424   9.3838   1.3411  467.702   76.619  578.840   45.063 -111.1384 88.88841 
1 1 1   12   52    0 o  101.885   47.325   0.0000   0.6134   0.0000   0.9684   0.0000   0.7927  106.448   69.973   97.322   63.738 0.000000 0.000000 
1 1 1   12   52    2 o  524.548   42.559   8.0978   1.1473   8.3563   1.6281   7.8427   1.6171  533.815   59.321  515.281   61.041 18.53406 85.11731 
1 1 1   12   52    4 o  252.982   47.621   2.0201   0.6321   2.1703   0.8808   1.8606   0.9077  264.145   65.241  241.820   69.388 22.32523 95.24263 
1 1 1   12   52    6 o  228.560   46.730   1.6438   0.5826   1.4952   0.8409   1.7810   0.8078  218.016   67.813  239.104   64.312 -21.08781 93.45941 
1 1 1   12   52    8 o  261.123   58.866   2.2225   0.8039   2.0876   0.9163   2.6736   1.6752  255.896   68.353  266.349   95.857 -10.45253 117.7320 
1 1 1   12   52   10 o  229.991   55.996   1.6810   0.7444   1.5422   0.8744   2.0467   1.4191  219.373   69.292  240.609   87.981 -21.23595 111.9915 
1 1 1   12   52   12 o  247.413   41.101   1.8779   0.5138   1.7818   0.7495   1.9631   0.7057  239.491   60.773  255.334   55.353 -15.84302 82.20296 
1 1 1   12   53    1 o  306.713   48.865   3.0223   0.7526   3.2441   1.0404   2.7789   1.0899  322.564   64.980  290.862   72.998 31.70175 97.72997 
1 1 1   12   53    3 o  162.458   44.293   0.6923   0.5177   0.8929   0.5880   0.0000   1.0922  173.707   56.997  151.209   67.814 22.49825 88.58523 
1 1 1   12   53    5 o  172.355   45.553   0.8118   0.5889   1.2101   0.7190   0.0000   1.0263  197.399   62.884  147.311   65.924 50.08842 91.10646 
1 1 1   13    0    1 o  601.172   72.434   9.7448   2.1527   0.0000   0.0000   9.7448   2.1527  601.172   72.434  601.172   72.434 0.000000 0.000000 
1 1 1   13    0    3 o  1003.39   47.751   26.319   2.4346   27.770   3.5503   25.030   3.3451  1029.73   67.734  977.048   67.325 0.000000 0.000000 
1 1 1   13    0    5 o  100.643   38.627   0.3643   0.2869   0.4492   0.3828   0.2554   0.4336  108.894   55.052   92.392   54.200 -0.000000 0.000000 
1 1 1   13    0    7 o  699.063   64.859   12.965   2.2850   12.965   2.2850   0.0000   0.0000  699.063   64.859  699.063   64.859 0.000000 0.000000 
1 1 1   13    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    0   11 o  773.460   39.384   15.702   1.5474   15.790   2.2039   15.616   2.1731  775.568   55.939  771.352   55.455 0.000000 0.000000 
1 1 1   13    0   13 o  602.278   40.839   9.6938   1.2099   11.742   1.7316   7.7405   1.6911  668.599   51.061  535.956   63.751 -0.000000 0.000000 
1 1 1   13    0   15 f  1231.20   38.787   39.357   2.4439   38.736   3.4272   40.000   3.4858  1221.27   54.836  1241.14   54.872 0.000000 0.000000 
1 1 1   13    0   17 o  750.212   39.566   14.755   1.5057   15.384   2.1457   14.145   2.1136  766.442   55.106  733.983   56.791 -0.000000 0.000000 
1 1 1   13    0   19 o  1410.06   39.206   51.487   2.8319   50.602   3.9671   52.406   4.0438  1397.67   55.405  1422.46   55.486 0.000000 0.000000 
1 1 1   13    0   21 o  377.812   47.013   4.0467   0.8082   4.7406   1.1397   3.3447   1.1464  418.132   55.800  337.492   75.678 0.000000 0.000000 
1 1 1   13    0   23 o  859.321   57.167   19.291   2.5000   19.291   2.5000   0.0000   0.0000  859.321   57.167  859.321   57.167 -0.000000 0.000000 
1 1 1   13    0   25 o  1303.66   39.987   44.075   2.6671   42.156   3.7455   46.049   3.7988  1274.53   57.425  1332.78   55.660 0.000000 0.000000 
1 1 1   13    0   27 f  1129.64   40.357   33.195   2.3286   31.946   3.2986   34.435   3.2878  1108.02   58.272  1151.26   55.847 -0.000000 0.000000 
1 1 1   13    0   29 o  1582.91   40.368   65.006   3.2718   61.892   4.6462   68.068   4.6080  1544.76   58.695  1621.06   55.437 -0.000000 0.000000 
1 1 1   13    0   31 o  303.655   52.487   2.7907   0.7092   2.3871   1.0026   3.1949   1.0033  273.273   81.907  334.038   65.656 0.000000 0.000000 
1 1 1   13    0   33 o  2447.87   57.032  155.346   7.1688   0.0000   0.0000  155.346   7.1688  2447.87   57.032  2447.87   57.032 -0.000000 0.000000 
1 1 1   13    0   35 o  939.694   41.730   23.218   1.9937   21.748   2.8310   24.664   2.8083  909.070   61.208  970.318   56.737 -0.000000 0.000000 
1 1 1   13    0   37 o  571.442   59.960   8.7684   1.7172   0.0000   0.0000   8.7684   1.7172  571.442   59.960  571.442   59.960 -0.000000 0.000000 
1 1 1   13    0   39 o  757.466   60.868   15.264   2.3352   0.0000   0.0000   15.264   2.3352  757.466   60.868  757.466   60.868 -0.000000 0.000000 
1 1 1   13    0   41 o  1207.67   59.259   38.467   3.6591   0.0000   0.0000   38.467   3.6591  1207.67   59.259  1207.67   59.259 -0.000000 0.000000 
1 1 1   13    0   43 o   73.070   47.173   0.0000   0.4129   0.0000   0.4129   0.0000   0.0000   73.070   47.173   73.070   47.173 0.000000 0.000000 
1 1 1   13    0   45 o  166.558   76.146   1.0759   0.7102   0.0000   0.0000   1.0759   0.7102  166.558   76.146  166.558   76.146 -0.000000 0.000000 
1 1 1   13    0   47 o  682.190   62.540   12.672   2.1511   0.0000   0.0000   12.672   2.1511  682.190   62.540  682.190   62.540 -0.000000 0.000000 
1 1 1   13    0   49 o  413.054   47.679   4.6556   0.9774   0.0000   0.0000   4.6556   0.9774  413.054   47.679  413.054   47.679 -0.000000 0.000000 
1 1 1   13    0   51 o  438.732   67.611   5.5312   1.4173   5.5312   1.4173   0.0000   0.0000  438.732   67.611  438.732   67.611 0.000000 0.000000 
1 1 1   13    0   53 o  277.765   87.542   2.6704   1.0985   2.6704   1.0985   0.0000   0.0000  277.765   87.542  277.765   87.542 0.000000 0.000000 
1 1 1   13    0   55 o  128.380   60.167   0.6550   0.4447   0.6550   0.4447   0.0000   0.0000  128.380   60.167  128.380   60.167 0.000000 0.000000 
1 1 1   13    0   57 o  209.669   57.795   1.4224   0.5388   0.0000   0.0000   1.4224   0.5388  209.669   57.795  209.669   57.795 -0.000000 0.000000 
1 1 1   13    1    0 o   90.553   47.368   0.3065   0.2897   0.3065   0.2897   0.0000   0.0000   90.553   47.368   90.553   47.368 0.000000 0.000000 
1 1 1   13    1    2 o  841.720   47.240   18.429   2.0414   19.676   2.9027   17.209   2.8715  870.161   64.884  813.279   68.676 56.88232 94.47926 
1 1 1   13    1    4 o  1072.27   32.424   29.738   1.7866   29.288   2.5544   30.169   2.4998  1064.22   46.686  1080.32   45.008 -16.10229 64.84818 
1 1 1   13    1    6 o  295.143   39.636   2.2632   0.5414   2.4105   0.9960   2.2014   0.6451  298.471   66.598  291.814   42.996 6.656952 79.27123 
1 1 1   13    1    8 o  533.341   33.057   7.2682   0.8707   7.0253   1.0813   7.7163   1.4686  521.335   40.342  545.347   52.379 -24.01251 66.11346 
1 1 1   13    1   10 o  701.349   39.929   12.887   1.4289   14.010   1.9663   11.629   2.0800  734.591   52.064  668.107   60.554 66.48370 79.85864 
1 1 1   13    1   12 o  1348.99   27.187   47.044   1.8850   47.857   2.6485   46.210   2.6834  1360.92   37.853  1337.06   39.035 23.85107 54.37469 
1 1 1   13    1   14 o  1793.04   27.171   83.038   2.5044   81.315   3.5402   84.764   3.5433  1774.33   38.808  1811.74   38.040 -37.41064 54.34248 
1 1 1   13    1   16 o  173.367   29.289   0.8074   0.2575   0.7837   0.3670   0.8304   0.3614  170.861   42.065  175.873   40.766 -5.012177 58.57756 
1 1 1   13    1   18 o  1314.06   27.484   44.525   1.8567   43.827   2.6207   45.229   2.6307  1303.68   39.100  1324.43   38.635 -20.74487 54.96769 
1 1 1   13    1   20 o  1965.77   27.653   99.621   2.7946  100.926   3.9560   98.322   3.9484  1978.64   38.888  1952.89   39.326 25.74976 55.30644 
1 1 1   13    1   22 o  2509.71   55.375  162.840   7.1450  162.840   7.1450   0.0000   0.0000  2509.71   55.375  ?   ?       ?      ? 
1 1 1   13    1   24 o  2621.16   27.953  177.168   3.7669  176.448   5.3347  177.885   5.3197  2615.81   39.667  2626.50   39.395 -10.68652 55.90536 
1 1 1   13    1   26 o  1207.73   28.155   37.637   1.7474   36.285   2.4690   38.994   2.4733  1185.91   40.496  1229.54   39.126 -43.62939 56.30959 
1 1 1   13    1   28 o  1173.20   28.364   35.529   1.7106   34.854   2.4186   36.204   2.4198  1162.01   40.484  1184.39   39.739 -22.37439 56.72880 
1 1 1   13    1   30 o  1607.84   28.463   66.780   2.3527   65.858   3.3243   67.705   3.3301  1596.67   40.496  1619.01   40.007 -22.33582 56.92569 
1 1 1   13    1   32 f  529.593   29.183   7.2636   0.7923   6.5900   1.1145   7.9517   1.1265  504.603   42.961  554.583   39.508 -49.97955 58.36552 
1 1 1   13    1   34 o  527.407   58.921   7.2722   1.5977   7.2722   1.5977   0.0000   0.0000  527.407   58.921  ?   ?       ?      ? 
1 1 1   13    1   36 o  880.293   36.161   20.609   1.5366   21.376   1.8952   19.139   2.6248  907.224   40.633  853.362   59.827 53.86157 72.32123 
1 1 1   13    1   38 o  308.610   39.516   2.6417   0.5761   2.8463   0.7175   2.2704   0.9666  330.458   42.233  286.762   66.801 43.69632 79.03171 
1 1 1   13    1   40 o  340.996   46.713   3.2099   0.7893   3.0744   1.1110   3.3480   1.1216  333.204   67.171  348.788   64.935 -15.58411 93.42612 
1 1 1   13    1   42 o  735.414   42.489   14.507   1.6063   14.188   2.2637   14.830   2.2796  727.041   60.560  743.788   59.613 -16.74707 84.97841 
1 1 1   13    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    1   46 o  377.052   40.839   4.0122   0.7170   4.2356   0.8867   3.5902   1.2186  399.600   43.158  354.504   69.345 45.09619 81.67844 
1 1 1   13    1   48 o  284.376   40.688   2.3162   0.5578   2.4810   0.6964   2.0214   0.9315  304.870   44.432  263.882   68.174 40.98737 81.37527 
1 1 1   13    1   50 o  531.484   31.511   7.5957   0.8564   8.5957   1.2254   6.6412   1.1973  566.972   42.040  495.996   46.951 70.97614 63.02201 
1 1 1   13    1   52 o  454.591   31.985   5.6096   0.7475   5.5974   1.0561   5.6219   1.0583  454.095   45.235  455.088   45.233 -0.9935913 63.97050 
1 1 1   13    1   54 o  147.701   36.336   0.5417   0.3173   0.6789   0.5766   0.4822   0.3800  159.963   56.380  135.438   45.853 24.52580 72.67230 
1 1 1   13    1   56 o  135.847   34.597   0.4511   0.3118   0.3123   0.4241   0.6145   0.4600  122.369   47.354  149.325   50.452 -26.95644 69.19415 
1 1 1   13    2    1 o  1168.00   68.036   35.489   4.0856   0.0000   0.0000   35.489   4.0856  ?   ?   1168.00   68.036      ?      ? 
1 1 1   13    2    3 o  1634.52   40.616   68.252   3.1924   72.212   5.6870   66.430   3.8575  1666.20   66.388  1602.83   46.811 63.37195 81.23215 
1 1 1   13    2    5 o  837.012   43.586   18.366   1.8375   17.365   2.8592   19.071   2.3983  816.395   68.121  857.629   54.393 -41.23401 87.17221 
1 1 1   13    2    7 o  964.206   34.576   24.638   1.6336   26.116   2.0597   22.131   2.6821  1005.34   39.849  923.070   56.515 82.27246 69.15127 
1 1 1   13    2    9 o  878.153   27.880   19.939   1.2575   20.049   1.7423   19.820   1.8166  880.788   38.475  875.517   40.358 5.271362 55.75988 
1 1 1   13    2   11 o  1418.94   39.291   52.226   2.8629   49.200   3.9442   55.595   4.1620  1375.54   55.772  1462.33   55.359 -86.78503 78.58167 
1 1 1   13    2   13 o  715.236   27.265   13.218   1.0016   12.449   1.4073   14.007   1.4259  694.078   39.436  736.394   37.661 -42.31628 54.53046 
1 1 1   13    2   15 o  1148.36   27.281   34.044   1.6106   34.419   2.2754   33.668   2.2800  1154.73   38.327  1141.99   38.833 12.73816 54.56199 
1 1 1   13    2   17 o  1130.45   27.457   32.963   1.5956   32.315   2.2554   33.613   2.2576  1119.29   39.192  1141.61   38.465 -22.31958 54.91428 
1 1 1   13    2   19 o  2150.71   27.548  119.256   3.0460  118.653   4.3058  119.861   4.3097  2145.25   39.040  2156.17   38.877 -10.92114 55.09548 
1 1 1   13    2   21 o  1895.48   39.352   92.878   3.8345   90.963   5.3955   94.832   5.4505  1875.69   55.950  1915.28   55.352 -39.59021 78.70377 
1 1 1   13    2   23 o  1833.13   39.406   86.868   3.7127   90.032   5.2996   83.819   5.2029  1865.99   55.241  1800.27   56.213 65.72607 78.81287 
1 1 1   13    2   25 f  1715.68   28.059   75.925   2.4748   74.700   3.4997   77.150   3.5000  1701.79   39.999  1729.57   39.361 -27.77405 56.11747 
1 1 1   13    2   27 o  1783.87   28.187   82.112   2.5851   82.162   3.6516   82.062   3.6603  1784.42   39.803  1783.31   39.923 1.103149 56.37460 
1 1 1   13    2   29 o  2463.79   28.340  156.762   3.5888  160.897   5.0725  152.618   5.0782  2496.48   39.520  2431.11   40.629 65.37402 56.67968 
1 1 1   13    2   31 f  786.922   34.969   16.098   1.3356   16.211   1.6417   15.876   2.2971  792.059   40.314  781.786   57.151 10.27307 69.93884 
1 1 1   13    2   33 o  191.940   58.932   0.9623   0.6374   0.9623   0.6374   0.0000   0.0000  191.940   58.932  ?   ?       ?      ? 
1 1 1   13    2   35 o  407.573   42.385   4.3637   0.8864   4.0852   1.2611   4.6356   1.2460  394.390   62.194  420.756   57.602 -26.36627 84.77016 
1 1 1   13    2   37 o  1056.48   36.865   30.185   1.8602   32.089   2.2909   26.501   3.1870  1111.00   40.108  1001.96   61.867 109.0473 73.73033 
1 1 1   13    2   39 o  678.791   37.890   12.794   1.2112   14.078   1.4937   10.329   2.0695  735.008   39.527  622.575   64.655 112.4327 75.78010 
1 1 1   13    2   41 o  202.034   44.088   1.0942   0.5045   1.2091   0.7271   0.9876   0.7005  210.571   62.582  193.497   62.118 17.07388 88.17686 
1 1 1   13    2   43 o  402.110   46.103   4.4732   0.9176   5.3425   1.3070   3.6283   1.2885  446.317   56.960  357.904   72.509 88.41339 92.20632 
1 1 1   13    2   45 o  545.689   63.465   8.1461   1.7805   0.0000   0.0000   8.1461   1.7805  ?   ?   545.689   63.465      ?      ? 
1 1 1   13    2   47 o  242.735   46.595   1.6907   0.6014   1.9590   0.8486   1.4202   0.8523  261.672   63.683  223.798   68.035 37.87376 93.18988 
1 1 1   13    2   49 o  159.090   35.624   0.5487   0.3744   0.0000   0.5106   1.1866   0.5505  112.943   48.612  205.237   52.087 -92.29392 71.24746 
1 1 1   13    2   51 o  206.747   44.490   1.2299   0.5149   1.2228   0.7126   1.2377   0.7449  206.143   62.112  207.350   63.715 -1.207016 88.97984 
1 1 1   13    2   53 o  142.336   36.395   0.4841   0.3468   0.6376   0.4938   0.3348   0.4872  154.386   52.271  130.286   50.658 24.10051 72.79093 
1 1 1   13    2   55 o  408.767   32.932   4.6455   0.6905   4.3960   0.9887   4.8829   0.9647  396.783   48.469  420.750   44.598 -23.96762 65.86467 
1 1 1   13    2   57 o  150.587   33.163   0.6331   0.3000   0.9038   0.4210   0.3539   0.4275  175.997   46.012  125.177   47.771 50.81919 66.32600 
1 1 1   13    3    0 o  342.498   53.328   3.2364   0.8712   0.0000   0.0000   3.2364   0.8712  342.498   53.328  342.498   53.328 -0.000000 0.000000 
1 1 1   13    3    2 o  495.283   46.956   6.3716   1.1948   6.6828   1.7272   6.0861   1.6545  506.873   66.280  483.692   66.532 23.18164 93.91260 
1 1 1   13    3    4 o  782.171   36.438   15.726   1.4443   15.166   1.8750   16.543   2.2648  765.620   47.634  798.722   55.153 -33.10211 72.87518 
1 1 1   13    3    6 o  995.944   34.349   25.650   1.7194   25.502   2.2078   25.879   2.7413  993.055   43.242  998.833   53.381 -5.778015 68.69814 
1 1 1   13    3    8 o  1549.55   28.465   62.099   2.2651   62.628   3.1378   61.523   3.2733  1556.67   39.207  1542.43   41.277 14.23706 56.92944 
1 1 1   13    3   10 f  642.730   36.155   10.906   1.0722   11.154   1.2715   10.297   1.9949  656.982   37.644  628.477   61.740 28.50513 72.31078 
1 1 1   13    3   12 o  132.270   30.433   0.4094   0.2275   0.5447   0.3933   0.3413   0.2789  146.367   46.495  118.172   39.279 28.19489 60.86590 
1 1 1   13    3   14 o  1130.92   27.394   33.051   1.5917   34.092   2.2352   31.980   2.2670  1149.12   37.834  1112.72   39.627 36.39587 54.78811 
1 1 1   13    3   16 o  1296.20   27.425   43.359   1.8268   44.885   2.5850   41.835   2.5819  1319.08   38.117  1273.32   39.440 45.76270 54.84909 
1 1 1   13    3   18 o  987.978   27.506   25.169   1.3971   25.063   1.9793   25.275   1.9724  985.885   39.049  990.070   38.750 -4.184814 55.01214 
1 1 1   13    3   20 o  1726.51   33.263   75.391   2.8073   81.891   4.8682   72.153   3.4362  1780.14   53.192  1672.87   39.953 107.2743 66.52509 
1 1 1   13    3   22 o  1468.51   34.014   55.152   2.4199   54.139   2.9498   57.238   4.2317  1449.09   39.594  1487.92   55.318 -38.82751 68.02770 
1 1 1   13    3   24 o  905.394   34.319   21.022   1.5085   21.629   2.6214   20.722   1.8445  914.410   55.761  896.379   40.023 18.03107 68.63714 
1 1 1   13    3   26 o  1013.10   28.226   26.480   1.4699   27.149   2.0822   25.816   2.0753  1025.89   39.477  1000.31   40.352 25.57416 56.45138 
1 1 1   13    3   28 o  1666.88   34.864   72.763   2.8065   74.583   3.4488   69.195   4.8288  1699.97   39.460  1633.80   57.487 66.17224 69.72713 
1 1 1   13    3   30 o  1288.79   34.527   42.662   2.1667   41.948   2.6562   44.081   3.7456  1274.25   40.545  1303.34   55.898 -29.09180 69.05394 
1 1 1   13    3   32 o  348.780   43.237   3.2193   0.7593   3.3355   1.0775   3.1046   1.0703  357.912   58.555  339.649   63.631 18.26340 86.47309 
1 1 1   13    3   34 o  697.961   36.822   13.230   1.2258   14.351   1.5177   11.127   2.0789  744.254   39.665  651.669   62.050 92.58459 73.64437 
1 1 1   13    3   36 o  1199.78   35.558   37.688   2.0667   37.876   2.5353   37.315   3.5681  1207.47   40.840  1192.08   58.219 15.39355 71.11534 
1 1 1   13    3   38 f  479.024   36.224   5.9019   0.8565   5.6122   1.0600   6.4470   1.4539  463.626   44.469  494.423   57.195 -30.79675 72.44833 
1 1 1   13    3   40 o  400.789   31.305   3.6686   0.5833   3.0404   0.6726   5.5743   1.1715  341.448   38.313  460.130   49.520 -118.6819 62.61072 
1 1 1   13    3   42 o  267.766   46.085   2.0188   0.6314   1.7331   0.9039   2.2910   0.8824  248.564   68.522  286.968   61.645 -38.40395 92.16993 
1 1 1   13    3   44 o  259.296   49.264   1.8435   0.6327   1.8435   0.6327   0.0000   0.0000  259.296   49.264  ?   ?       ?      ? 
1 1 1   13    3   46 o  675.730   36.303   11.785   1.2066   10.701   1.4767   13.963   2.0928  634.075   45.298  717.385   56.741 -83.31012 72.60520 
1 1 1   13    3   48 o  311.573   39.353   2.5208   0.5828   2.2084   0.7026   3.2097   1.0434  286.800   47.648  336.346   62.643 -49.54608 78.70512 
1 1 1   13    3   50 o  131.806   35.546   0.2837   0.3503   0.0000   0.4794   0.6089   0.5132  109.368   47.088  154.245   53.261 -44.87672 71.09147 
1 1 1   13    3   52 o  352.909   47.562   3.6785   0.8345   2.1818   1.1421   5.3928   1.2223  265.146   78.344  440.672   53.952 -175.5259 95.12401 
1 1 1   13    3   54 o   88.856   38.237   0.0000   0.3158   0.0000   0.0000   0.0000   0.3158  ?   ?    88.856   38.237      ?      ? 
1 1 1   13    3   56 o  531.988   39.825   7.6186   1.0408   10.478   1.8347   6.2620   1.2638  596.170   59.857  467.806   52.548 128.3643 79.64989 
1 1 1   13    4    1 o  444.428   67.740   5.1421   1.5478   0.0000   0.0000   5.1421   1.5478  ?   ?   444.428   67.740      ?      ? 
1 1 1   13    4    3 o  1203.37   44.105   37.329   2.7041   39.907   4.1629   35.447   3.5567  1238.35   65.385  1168.38   59.210 69.96887 88.21040 
1 1 1   13    4    5 o  416.037   34.966   4.4568   0.7399   4.3089   0.9706   4.6620   1.1432  408.044   46.264  424.030   52.441 -15.98618 69.93112 
1 1 1   13    4    7 f  1006.73   33.858   26.274   1.6832   26.316   2.1070   26.200   2.7982  1008.94   40.619  1004.51   54.181 4.431519 67.71663 
1 1 1   13    4    9 o  710.340   32.418   12.703   1.1293   11.913   1.3827   14.285   1.9575  678.809   39.618  741.870   51.323 -63.06024 64.83524 
1 1 1   13    4   11 f  1063.82   34.668   28.969   1.7389   28.412   2.0708   30.300   3.2025  1048.50   38.415  1079.14   57.723 -30.64294 69.33701 
1 1 1   13    4   13 o  2084.75   33.803  113.154   3.4322  110.664   5.8491  114.461   4.2386  2064.63   55.104  2104.87   39.167 -40.23608 67.60532 
1 1 1   13    4   15 o  890.718   27.480   20.494   1.2572   21.441   1.7719   19.534   1.7840  911.553   37.809  869.882   39.889 41.67053 54.96089 
1 1 1   13    4   17 o  1084.09   27.470   30.311   1.5310   30.711   2.1645   29.910   2.1658  1091.28   38.579  1076.91   39.117 14.37000 54.94069 
1 1 1   13    4   19 o  1169.94   34.955   36.482   1.9511   32.174   3.3625   38.668   2.3957  1115.10   58.651  1224.79   38.045 -109.6838 69.90926 
1 1 1   13    4   21 o  2258.67   34.457  132.435   3.7463  133.791   4.5708  129.660   6.5389  2278.16   39.024  2239.19   56.799 38.96484 68.91336 
1 1 1   13    4   23 o  3093.65   34.083  248.546   5.1128  251.457   6.2846  242.848   8.7922  3122.96   39.142  3064.34   55.807 58.61670 68.16560 
1 1 1   13    4   25 o  2005.11   33.979  103.331   3.3217  102.202   4.0829  105.541   5.7125  1990.53   39.896  2019.69   55.013 -29.15662 67.95702 
1 1 1   13    4   27 o  1021.24   34.033   26.649   1.6963   25.994   2.0809   27.947   2.9287  1003.60   40.328  1038.88   54.833 -35.27631 68.06599 
1 1 1   13    4   29 o  1210.79   35.127   38.493   2.0531   39.609   2.5250   36.316   3.5273  1238.57   39.652  1183.00   57.995 55.56140 70.25423 
1 1 1   13    4   31 o  872.881   40.423   19.812   1.8128   19.129   2.5792   20.477   2.5484  857.805   58.482  887.957   55.821 -30.15173 80.84616 
1 1 1   13    4   33 o  564.090   41.591   8.2423   1.2062   8.2423   1.2062   0.0000   0.0000  564.090   41.591  ?   ?       ?      ? 
1 1 1   13    4   35 o  1151.97   41.106   34.776   2.4317   36.977   3.4645   32.639   3.4140  1188.43   56.702  1115.51   59.528 72.91418 82.21129 
1 1 1   13    4   37 o  684.322   33.059   11.931   1.0170   11.626   1.1741   12.847   2.0356  669.703   34.099  698.941   56.647 -29.23798 66.11874 
1 1 1   13    4   39 o  483.494   33.927   6.0008   0.7399   5.8606   0.8564   6.4138   1.4696  474.865   35.079  492.124   58.082 -17.25925 67.85339 
1 1 1   13    4   41 o  165.097   35.006   0.7065   0.2968   0.6904   0.3476   0.7497   0.5698  159.451   41.869  170.742   56.113 -11.29126 70.01231 
1 1 1   13    4   43 o  432.720   43.748   4.9384   0.9733   4.9384   0.9733   0.0000   0.0000  432.720   43.748  ?   ?       ?      ? 
1 1 1   13    4   45 o  218.601   40.073   1.1937   0.5526   0.0000   0.7688   2.4701   0.7950  138.046   59.532  299.155   53.659 -161.1090 80.14615 
1 1 1   13    4   47 o  454.142   36.956   5.4303   0.8204   5.1352   1.0035   6.0247   1.4245  439.019   44.461  469.266   59.044 -30.24634 73.91167 
1 1 1   13    4   49 o  246.692   41.582   1.9514   0.5307   2.4025   0.6343   0.8983   0.9691  300.384   41.072  193.000   72.314 107.3836 83.16339 
1 1 1   13    4   51 o  230.189   47.108   1.5715   0.6004   1.2223   0.8822   1.8727   0.8193  207.587   69.868  252.790   63.207 -45.20341 94.21667 
1 1 1   13    4   53 o  267.493   47.939   2.0154   0.6351   2.0154   0.6351   0.0000   0.0000  267.493   47.939  ?   ?       ?      ? 
1 1 1   13    4   55 o  273.662   41.592   2.0265   0.5448   1.5505   0.6604   3.0408   0.9641  228.281   56.558  319.043   60.998 -90.76151 83.18383 
1 1 1   13    4   57 o  261.900   38.045   2.0380   0.4951   2.3959   0.7242   1.7239   0.6784  285.597   51.199  238.203   56.287 47.39363 76.08930 
1 1 1   13    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    5    2 o  1357.07   61.210   47.869   4.2706   0.0000   0.0000   47.869   4.2706  ?   ?   1357.07   61.210      ?      ? 
1 1 1   13    5    4 o  1817.35   40.618   86.814   3.3809   83.493   6.3964   88.101   3.9827  1788.56   69.560  1846.14   41.961 -57.57861 81.23660 
1 1 1   13    5    6 o  514.021   36.845   6.9450   0.9168   6.5787   1.5678   7.1353   1.1302  502.752   60.654  525.289   41.848 -22.53745 73.68962 
1 1 1   13    5    8 o  1529.47   38.187   60.814   3.0007   62.280   4.2011   59.287   4.2876  1548.67   52.764  1510.28   55.218 38.38989 76.37459 
1 1 1   13    5   10 o  600.377   32.873   9.1438   0.9610   8.7535   1.1715   9.9467   1.6803  581.895   39.159  618.860   52.813 -36.96436 65.74615 
1 1 1   13    5   12 f  787.086   38.291   16.005   1.5495   16.005   1.5495   0.0000   0.0000  787.086   38.291  ?   ?       ?      ? 
1 1 1   13    5   14 o  700.967   33.514   12.623   1.1370   12.451   1.3862   12.977   1.9874  694.451   38.825  707.482   54.639 -13.03125 67.02863 
1 1 1   13    5   16 o  631.020   27.643   10.286   0.8952   10.939   1.2623   9.6246   1.2698  651.290   37.699  610.750   40.441 40.54034 55.28674 
1 1 1   13    5   18 o  873.361   33.564   19.558   1.4267   20.117   2.4667   19.277   1.7489  882.072   54.392  864.651   39.342 17.42114 67.12866 
1 1 1   13    5   20 o  2396.75   39.093  148.086   4.8172  148.086   4.8172   0.0000   0.0000  2396.75   39.093  ?   ?       ?      ? 
1 1 1   13    5   22 o  1126.48   33.700   32.505   1.8521   31.964   2.2751   33.567   3.1892  1113.44   39.743  1139.53   54.436 -26.09143 67.40044 
1 1 1   13    5   24 o  1192.35   39.565   36.793   2.4199   40.066   3.4542   33.638   3.3913  1244.71   53.977  1139.99   57.862 104.7174 79.12963 
1 1 1   13    5   26 o  709.953   34.550   13.119   1.1902   13.310   1.4652   12.748   2.0408  718.271   39.677  701.635   56.574 16.63544 69.09995 
1 1 1   13    5   28 o  969.787   35.314   24.902   1.6476   26.066   2.0301   22.655   2.8200  1004.97   39.291  934.605   58.689 70.36267 70.62723 
1 1 1   13    5   30 o  1201.55   34.247   36.646   2.0129   35.091   2.4663   39.750   3.4837  1165.31   41.166  1237.79   54.743 -72.48157 68.49417 
1 1 1   13    5   32 f  1204.34   57.512   37.770   3.5611   37.770   3.5611   0.0000   0.0000  1204.34   57.512  ?   ?       ?      ? 
1 1 1   13    5   34 o  1954.99   33.401  100.492   2.9074  101.647   3.3697   97.128   5.7516  1982.91   33.053  1927.08   58.052 55.83203 66.80238 
1 1 1   13    5   36 o  794.680   34.557   16.898   1.2099   17.315   1.4005   15.672   2.4023  817.745   33.312  771.617   60.555 46.12805 69.11336 
1 1 1   13    5   38 o  603.440   32.748   9.0882   0.8976   8.6268   1.0364   10.472   1.7949  576.440   34.972  630.440   55.378 -54.00055 65.49634 
1 1 1   13    5   40 o  730.851   32.338   13.276   1.0768   12.477   1.2436   15.669   2.1528  692.417   34.933  769.285   54.431 -76.86780 64.67650 
1 1 1   13    5   42 o  172.159   40.583   0.7594   0.4198   0.7451   0.6263   0.7712   0.5657  172.337   58.866  171.981   55.881 0.3560181 81.16541 
1 1 1   13    5   44 o  740.819   35.810   15.101   1.1609   15.565   1.3440   13.738   2.3037  771.511   33.883  710.127   63.098 61.38391 71.61955 
1 1 1   13    5   46 o  303.102   37.496   2.2448   0.4941   1.9981   0.5609   3.0999   1.0442  275.047   39.666  331.157   63.643 -56.10947 74.99266 
1 1 1   13    5   48 o  418.508   41.220   4.9988   0.7930   5.2923   0.9728   4.4172   1.3691  445.839   42.438  391.176   70.679 54.66296 82.44067 
1 1 1   13    5   50 o  748.999   38.744   15.650   1.3871   16.105   1.6979   14.739   2.4051  775.282   42.597  722.716   64.728 52.56573 77.48720 
1 1 1   13    5   52 o   96.082   38.921   0.1187   0.2990   0.1187   0.2990   0.0000   0.0000   96.082   38.921  ?   ?       ?      ? 
1 1 1   13    5   54 o  199.438   44.997   1.1672   0.5225   1.3563   0.7600   0.9977   0.7194  212.381   64.175  186.495   63.091 25.88608 89.99387 
1 1 1   13    5   56 o  244.576   38.582   1.4374   0.4898   0.6961   0.5884   3.1099   0.8838  159.526   56.873  329.625   52.151 -170.0989 77.16384 
1 1 1   13    6    1 o  1399.51   41.193   50.200   2.7807   52.865   4.9185   48.947   3.3712  1424.02   67.181  1375.00   47.688 49.01770 82.38642 
1 1 1   13    6    3 o  1748.43   39.640   79.525   3.2112   79.050   6.0147   79.714   3.7977  1740.93   67.200  1755.93   42.067 -15.00439 79.28077 
1 1 1   13    6    5 o  895.017   30.878   20.740   1.4186   20.467   2.0574   20.987   1.9586  889.227   45.002  900.807   42.290 -11.57935 61.75513 
1 1 1   13    6    7 o  1107.03   33.811   31.536   1.8788   32.814   3.0280   30.736   2.3958  1124.22   52.389  1089.84   42.757 34.38611 67.62219 
1 1 1   13    6    9 o  447.963   33.102   5.0105   0.7463   6.1816   1.2170   4.3045   0.9449  488.253   48.482  407.672   45.082 80.58090 66.20317 
1 1 1   13    6   11 o  1135.38   40.916   33.332   2.3884   0.0000   0.0000   33.332   2.3884  ?   ?   1135.38   40.916      ?      ? 
1 1 1   13    6   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    6   15 f  941.567   33.486   22.549   1.5276   21.859   1.8571   23.993   2.6861  920.429   39.245  962.705   54.269 -42.27594 66.97253 
1 1 1   13    6   17 o  1017.96   55.066   26.802   2.8820   26.802   2.8820   0.0000   0.0000  1017.96   55.066  ?   ?       ?      ? 
1 1 1   13    6   19 o  1919.55   39.079   94.989   3.8566   94.989   3.8566   0.0000   0.0000  1919.55   39.079  ?   ?       ?      ? 
1 1 1   13    6   21 o  1573.88   33.691   63.751   2.5853   63.335   3.1813   64.560   4.4367  1567.38   39.478  1580.38   54.605 -12.99707 67.38116 
1 1 1   13    6   23 o  816.540   34.246   17.295   1.3580   17.453   1.6708   16.986   2.3313  822.715   39.500  810.366   55.956 12.34912 68.49287 
1 1 1   13    6   25 o  1004.66   39.572   26.124   2.0439   26.215   2.9079   26.034   2.8733  1006.37   56.202  1002.95   55.724 3.424622 79.14374 
1 1 1   13    6   27 o  1449.56   31.539   52.638   2.0757   50.876   2.4036   57.805   4.1166  1404.88   33.278  1494.24   53.585 -89.35229 63.07800 
1 1 1   13    6   29 o  1142.14   32.596   33.664   1.6705   33.582   1.9361   33.905   3.3043  1141.14   33.001  1143.15   56.222 -2.016357 65.19221 
1 1 1   13    6   31 o  1059.00   57.765   29.165   3.1451   29.165   3.1451   0.0000   0.0000  1059.00   57.765  ?   ?       ?      ? 
1 1 1   13    6   33 o  1197.22   33.739   38.022   1.7887   38.831   2.0729   35.663   3.5396  1225.97   32.887  1168.46   58.922 57.51025 67.47801 
1 1 1   13    6   35 o  614.975   35.597   9.9091   1.0625   9.9941   1.3070   9.7435   1.8245  620.423   40.974  609.526   58.221 10.89667 71.19348 
1 1 1   13    6   37 o  484.732   32.397   5.7205   0.7214   5.2640   0.8340   7.0765   1.4375  450.356   36.018  519.109   53.860 -68.75220 64.79381 
1 1 1   13    6   39 o  674.740   33.842   11.922   1.0223   11.892   1.1846   12.010   2.0236  676.545   34.058  672.936   58.491 3.609314 67.68455 
1 1 1   13    6   41 o  586.932   35.984   8.9769   1.0345   8.6646   1.2725   9.5854   1.7764  574.506   43.083  599.359   57.646 -24.85321 71.96725 
1 1 1   13    6   43 o  792.277   34.335   16.401   1.3986   16.401   1.3986   0.0000   0.0000  792.277   34.335  ?   ?       ?      ? 
1 1 1   13    6   45 o  396.809   37.086   3.8598   0.7180   3.1071   0.8645   5.5343   1.2894  340.909   49.321  452.708   55.397 -111.7995 74.17139 
1 1 1   13    6   47 f  407.117   41.293   4.8605   0.6875   5.1267   0.7921   4.0478   1.3844  441.571   34.893  372.664   74.853 68.90720 82.58640 
1 1 1   13    6   49 o  227.802   40.470   1.3988   0.4566   1.1858   0.5626   1.8099   0.7815  204.846   53.011  250.758   61.165 -45.91197 80.93971 
1 1 1   13    6   51 o  393.865   47.593   4.5118   0.9366   3.9946   1.3249   5.0284   1.3242  365.291   73.097  422.439   60.969 -57.14780 95.18632 
1 1 1   13    6   53 o  387.466   37.846   3.9950   0.7163   3.5669   0.8686   4.9053   1.2666  360.345   46.884  414.587   59.424 -54.24161 75.69232 
1 1 1   13    6   55 o  582.856   39.262   9.6221   1.1179   9.3244   1.3775   10.197   1.9134  579.179   46.260  586.533   63.450 -7.354370 78.52370 
1 1 1   13    7    0 o  828.975   70.403   18.184   2.9508   18.184   2.9508   0.0000   0.0000  828.975   70.403  828.975   70.403 0.000000 0.000000 
1 1 1   13    7    2 o  557.316   44.112   8.1964   1.2153   7.6742   1.9798   8.5121   1.5394  541.811   71.071  572.820   52.273 -31.00977 88.22449 
1 1 1   13    7    4 o  428.785   32.039   4.7360   0.7041   5.0626   1.0479   4.4671   0.9506  442.141   46.097  415.429   44.508 26.71234 64.07735 
1 1 1   13    7    6 o  558.748   29.807   8.0831   0.8553   8.2090   1.1869   7.9471   1.2335  563.376   40.979  554.119   43.297 9.256348 59.61488 
1 1 1   13    7    8 o  378.528   39.598   3.9122   0.6934   3.4083   1.1895   4.1715   0.8534  355.492   67.553  401.565   41.335 -46.07358 79.19626 
1 1 1   13    7   10 o  1317.94   36.761   44.246   2.2374   43.217   2.6241   46.988   4.2823  1293.04   39.473  1342.85   62.027 -49.81311 73.52156 
1 1 1   13    7   12 o  686.926   40.599   12.106   1.4245   10.493   1.9051   14.150   2.1452  635.572   58.302  738.280   56.516 -102.7081 81.19865 
1 1 1   13    7   14 o  940.554   58.252   22.937   2.8168   0.0000   0.0000   22.937   2.8168  ?   ?   940.554   58.252      ?      ? 
1 1 1   13    7   16 o  1354.81   55.096   47.486   3.8377   47.486   3.8377   0.0000   0.0000  1354.81   55.096  ?   ?       ?      ? 
1 1 1   13    7   18 o  1557.30   55.464   62.706   4.4407   62.706   4.4407   0.0000   0.0000  1557.30   55.464  ?   ?       ?      ? 
1 1 1   13    7   20 o  1909.52   39.269   93.999   3.8551   93.999   3.8551   0.0000   0.0000  1909.52   39.269  ?   ?       ?      ? 
1 1 1   13    7   22 o  692.008   32.504   12.335   1.1564   12.335   1.1564   0.0000   0.0000  692.008   32.504  ?   ?       ?      ? 
1 1 1   13    7   24 o  286.738   34.343   2.1362   0.4333   2.1071   0.5033   2.2194   0.8512  285.947   34.237  287.528   59.544 -1.581238 68.68530 
1 1 1   13    7   26 o  596.060   31.603   8.8102   0.8555   8.4232   0.9886   9.9639   1.7070  571.655   33.637  620.466   53.512 -48.81171 63.20564 
1 1 1   13    7   28 o  1807.12   32.582   84.587   2.6352   84.749   3.0534   84.114   5.2166  1813.08   32.757  1801.16   56.333 11.91602 65.16457 
1 1 1   13    7   30 o  1169.06   35.174   35.718   1.9928   36.363   2.4529   34.465   3.4180  1186.30   40.217  1151.81   57.719 34.48376 70.34875 
1 1 1   13    7   32 o  1465.31   34.898   55.751   2.4883   55.739   3.0611   55.774   4.2722  1467.48   40.572  1463.14   56.793 4.340820 69.79653 
1 1 1   13    7   34 o  1288.18   32.810   42.660   1.9033   42.133   2.2055   44.198   3.7669  1276.32   33.611  1300.04   56.358 -23.72473 65.61963 
1 1 1   13    7   36 f  446.625   35.192   5.0427   0.7769   4.6320   0.9577   5.8330   1.3285  421.696   44.172  471.553   54.798 -49.85654 70.38436 
1 1 1   13    7   38 o  742.824   34.159   14.497   1.1287   14.531   1.3051   14.396   2.2483  748.207   33.926  737.441   59.300 10.76605 68.31855 
1 1 1   13    7   40 o  502.058   34.599   6.6182   0.7793   6.5929   0.9038   6.6917   1.5383  503.211   34.935  500.905   59.733 2.305634 69.19878 
1 1 1   13    7   42 o  351.260   44.046   3.2509   0.7954   3.2509   0.7954   0.0000   0.0000  351.260   44.046  ?   ?       ?      ? 
1 1 1   13    7   44 o  244.851   36.589   1.5519   0.4032   1.4296   0.4680   1.9037   0.7938  229.616   41.157  260.085   60.507 -30.46887 73.17841 
1 1 1   13    7   46 o  266.074   39.414   2.6299   0.5334   3.4307   0.6178   0.2842   1.0572  361.785   33.213  170.362   71.490 191.4228 78.82813 
1 1 1   13    7   48 o  715.275   33.982   12.737   1.0953   11.719   1.2538   16.017   2.2503  666.206   36.606  764.344   57.263 -98.13788 67.96355 
1 1 1   13    7   50 o  741.614   36.178   15.096   1.1825   15.183   1.3662   14.837   2.3612  757.461   35.083  725.766   63.281 31.69568 72.35532 
1 1 1   13    7   52 o  229.615   49.862   1.4997   0.5718   1.4997   0.5718   0.0000   0.0000  229.615   49.862  ?   ?       ?      ? 
1 1 1   13    7   54 o  201.669   47.783   1.2175   0.5877   1.3656   0.7645   1.0035   0.9190  212.652   64.389  190.686   70.619 21.96608 95.56635 
1 1 1   13    7   56 o  271.740   44.199   2.3009   0.5926   2.4119   0.7288   2.0842   1.0181  291.913   48.558  251.567   73.867 40.34610 88.39841 
1 1 1   13    8    1 o  1007.14   42.278   27.645   1.9222   29.208   2.2730   23.721   3.6014  1062.70   41.602  951.580   73.614 111.1242 84.55630 
1 1 1   13    8    3 o  1416.62   41.243   52.706   2.6595   53.291   3.1189   51.146   5.0911  1435.23   42.268  1398.01   70.832 37.21729 82.48501 
1 1 1   13    8    5 o  848.898   38.038   18.295   1.3080   18.033   1.4510   19.427   3.0211  835.816   33.766  861.979   68.172 -26.16302 76.07584 
1 1 1   13    8    7 o  947.541   38.424   23.737   1.4451   23.979   1.6032   22.689   3.3369  963.958   32.350  931.123   69.706 32.83405 76.84719 
1 1 1   13    8    9 o  1282.31   36.376   42.291   1.9025   42.051   2.1193   43.289   4.3170  1276.62   32.290  1287.98   65.193 -11.36157 72.75145 
1 1 1   13    8   11 o  998.428   38.075   27.615   1.5170   28.779   1.7006   23.082   3.3562  1056.43   31.311  940.425   69.415 116.0046 76.15009 
1 1 1   13    8   13 o  1171.31   34.599   35.992   1.7073   36.377   1.9311   34.613   3.6539  1188.01   31.616  1154.61   61.553 33.40100 69.19792 
1 1 1   13    8   15 o  2873.33   34.489  209.420   4.7587  202.719   5.7352  224.229   8.5260  2803.37   39.792  2943.28   56.343 -139.9119 68.97792 
1 1 1   13    8   17 o  1856.91   39.357   88.905   3.7573   88.905   3.7573   0.0000   0.0000  1856.91   39.357  ?   ?       ?      ? 
1 1 1   13    8   19 o  1184.25   33.649   35.532   1.9470   34.133   2.3835   38.336   3.3751  1150.58   40.294  1217.92   53.902 -67.33704 67.29764 
1 1 1   13    8   21 o  841.871   55.993   18.327   2.4235   18.327   2.4235   0.0000   0.0000  841.871   55.993  ?   ?       ?      ? 
1 1 1   13    8   23 o  555.047   32.679   7.9369   0.9325   7.9369   0.9325   0.0000   0.0000  555.047   32.679  ?   ?       ?      ? 
1 1 1   13    8   25 o  1171.49   39.866   35.406   2.4011   35.406   2.4011   0.0000   0.0000  1171.49   39.866  ?   ?       ?      ? 
1 1 1   13    8   27 o  818.908   32.892   17.287   1.3848   17.287   1.3848   0.0000   0.0000  818.908   32.892  ?   ?       ?      ? 
1 1 1   13    8   29 o  678.397   35.107   12.003   1.1569   12.182   1.4260   11.659   1.9787  686.701   40.391  670.093   57.433 16.60822 70.21434 
1 1 1   13    8   31 o  1140.48   40.576   33.644   2.3792   33.644   2.3792   0.0000   0.0000  1140.48   40.576  ?   ?       ?      ? 
1 1 1   13    8   33 o  243.233   35.165   1.5235   0.3888   1.4680   0.4539   1.6764   0.7538  238.159   37.066  248.307   59.769 -10.14702 70.32992 
1 1 1   13    8   35 o  322.538   36.775   2.5157   0.5711   1.9156   0.6961   3.7509   0.9988  266.200   52.730  378.876   51.274 -112.6765 73.54926 
1 1 1   13    8   37 o  474.739   34.199   5.8371   0.7312   5.7706   0.8479   6.0301   1.4443  471.549   34.972  477.930   58.781 -6.380127 68.39784 
1 1 1   13    8   39 o  959.199   35.003   24.970   1.4799   25.763   1.7178   22.686   2.9145  995.690   33.558  922.707   61.438 72.98297 70.00508 
1 1 1   13    8   41 o  648.536   42.236   11.042   1.4083   11.042   1.4083   0.0000   0.0000  648.536   42.236  ?   ?       ?      ? 
1 1 1   13    8   43 o  368.023   34.139   3.4118   0.5723   3.2099   0.6613   4.0143   1.1422  349.977   36.750  386.068   57.544 -36.09116 68.27792 
1 1 1   13    8   45 o  702.102   37.012   13.201   1.2562   13.090   1.5350   13.426   2.1858  702.956   42.472  701.247   60.628 1.708313 74.02443 
1 1 1   13    8   47 o  492.867   33.198   5.9171   0.7500   5.2809   0.8629   7.8821   1.5164  447.255   37.526  538.479   54.776 -91.22452 66.39691 
1 1 1   13    8   49 o  228.732   31.935   1.0038   0.3444   0.4846   0.3926   2.7386   0.7177  137.779   46.608  319.685   43.669 -181.9058 63.86920 
1 1 1   13    8   51 o  158.346   57.588   0.6174   0.6068   0.6174   0.6068   0.0000   0.0000  158.346   57.588  ?   ?       ?      ? 
1 1 1   13    8   53 o  163.903   35.919   0.7889   0.3526   1.0107   0.4293   0.3294   0.6180  188.774   44.893  139.032   56.084 49.74229 71.83862 
1 1 1   13    8   55 o  286.102   49.898   2.5938   0.7306   2.7967   1.0390   2.3954   1.0275  298.651   69.046  273.553   72.055 25.09729 99.79623 
1 1 1   13    9    0 o  420.276   82.190   5.0726   1.5816   0.0000   0.0000   5.0726   1.5816  420.276   82.190  420.276   82.190 -0.000000 0.000000 
1 1 1   13    9    2 o  1070.49   42.327   29.652   2.3295   29.652   2.3295   0.0000   0.0000  1070.49   42.327  ?   ?       ?      ? 
1 1 1   13    9    4 o  1297.14   41.661   44.320   2.4320   44.891   2.8355   42.732   4.7298  1317.19   41.871  1277.08   72.037 40.11572 83.32151 
1 1 1   13    9    6 o  754.302   39.381   15.172   1.1670   15.392   1.2924   14.202   2.7150  772.289   32.551  736.315   71.720 35.97308 78.76128 
1 1 1   13    9    8 o  921.283   36.682   21.509   1.3729   21.190   1.5242   22.882   3.1612  906.207   32.715  936.358   65.666 -30.15033 73.36377 
1 1 1   13    9   10 o  1174.86   38.669   36.274   2.0646   36.814   2.4210   34.834   3.9534  1193.75   39.447  1155.97   66.520 37.78528 77.33710 
1 1 1   13    9   12 o  589.814   35.631   9.1013   0.8713   9.1704   0.9791   8.8383   1.9101  596.453   31.929  583.175   63.708 13.27838 71.26099 
1 1 1   13    9   14 o  1967.98   40.756  100.195   4.1145   98.749   5.6163  101.869   6.0448  1953.10   55.931  1982.86   59.295 -29.76233 81.51184 
1 1 1   13    9   16 o  492.056   39.405   6.2430   0.9969   6.2430   0.9969   0.0000   0.0000  492.056   39.405  ?   ?       ?      ? 
1 1 1   13    9   18 o  1732.40   33.111   78.560   2.5027   79.567   2.8725   75.386   5.0989  1757.68   31.788  1707.12   58.095 50.55042 66.22296 
1 1 1   13    9   20 o  1319.31   34.083   44.583   2.1827   43.877   2.6675   46.014   3.7971  1304.53   39.772  1334.09   55.360 -29.55457 68.16539 
1 1 1   13    9   22 o  559.139   33.657   7.8550   0.9237   7.3823   1.1322   8.7957   1.5973  534.985   41.162  583.294   53.264 -48.30908 67.31499 
1 1 1   13    9   24 o  1623.61   34.619   68.891   2.7172   70.461   3.3401   65.818   4.6724  1652.79   39.307  1594.43   56.999 58.36292 69.23837 
1 1 1   13    9   26 o  751.348   40.283   14.570   1.5561   14.570   1.5561   0.0000   0.0000  751.348   40.283  ?   ?       ?      ? 
1 1 1   13    9   28 o  1588.63   32.735   65.078   2.6736   65.078   2.6736   0.0000   0.0000  1588.63   32.735  ?   ?       ?      ? 
1 1 1   13    9   30 o  1041.77   32.936   28.002   1.7641   28.002   1.7641   0.0000   0.0000  1041.77   32.936  ?   ?       ?      ? 
1 1 1   13    9   32 o  221.898   39.720   1.3430   0.4303   1.3869   0.5156   1.2424   0.7809  227.224   45.719  216.573   64.965 10.65140 79.43986 
1 1 1   13    9   34 o  374.016   42.333   4.2756   0.6263   4.7354   0.7192   2.8326   1.2741  427.870   32.692  320.163   78.099 107.7074 84.66530 
1 1 1   13    9   36 o  443.916   37.489   5.3728   0.7923   5.7876   0.9776   4.5788   1.3525  471.739   40.307  416.093   63.223 55.64661 74.97878 
1 1 1   13    9   38 o  873.364   35.607   21.080   1.3619   22.168   1.5852   18.014   2.6610  924.041   33.368  822.686   62.913 101.3551 71.21384 
1 1 1   13    9   40 o  669.446   35.140   11.337   1.1591   10.210   1.4200   13.588   2.0067  623.515   44.297  715.377   54.562 -91.86255 70.27915 
1 1 1   13    9   42 o  678.181   35.629   11.805   1.1889   10.857   1.4580   13.687   2.0541  641.520   44.204  714.841   55.890 -73.32104 71.25851 
1 1 1   13    9   44 o  307.320   42.729   3.1317   0.5589   3.6248   0.6454   1.6539   1.1174  372.146   33.734  242.494   78.518 129.6519 85.45748 
1 1 1   13    9   46 o  283.061   41.874   2.6621   0.6059   3.6479   0.7538   0.8631   1.0183  371.462   39.472  194.660   73.862 176.8021 83.74783 
1 1 1   13    9   48 o  233.281   37.561   1.4334   0.4072   1.2905   0.4802   1.7993   0.7684  215.969   44.720  250.594   60.361 -34.62511 75.12182 
1 1 1   13    9   50 o  208.955   40.759   1.2394   0.4275   1.2353   0.5095   1.2489   0.7857  209.421   48.302  208.489   65.668 0.9316101 81.51887 
1 1 1   13    9   52 f  141.561   33.702   0.5535   0.3016   0.7239   0.3449   0.0000   0.6216  160.759   41.457  122.364   53.148 38.39579 67.40482 
1 1 1   13    9   54 o  443.889   52.439   6.1505   1.1501   5.1666   1.6480   7.0848   1.6059  397.447   83.314  490.331   63.704 -92.88455 104.8779 
1 1 1   13    9   56 o  115.223   32.690   0.2308   0.2966   0.3494   0.3649   0.0000   0.5089  120.781   44.548  109.664   47.855 11.11677 65.38031 
1 1 1   13   10    1 o  1198.20   40.639   37.598   2.2292   37.893   2.6208   36.825   4.2394  1210.13   42.124  1186.27   69.510 23.86365 81.27790 
1 1 1   13   10    3 o  1187.64   41.890   37.450   2.2390   38.270   2.6169   35.210   4.3250  1216.19   41.852  1159.08   72.577 57.11169 83.77956 
1 1 1   13   10    5 o  430.877   37.816   4.6412   0.6523   4.5379   0.7196   5.1166   1.5438  419.303   33.383  442.451   67.867 -23.14786 75.63277 
1 1 1   13   10    7 o  1223.76   37.942   38.636   1.8648   38.487   2.0684   39.285   4.3098  1221.28   32.943  1226.25   68.361 -4.969604 75.88406 
1 1 1   13   10    9 f  1007.16   38.328   27.077   1.5387   27.547   1.7123   25.107   3.5073  1033.49   32.226  980.833   69.552 52.66071 76.65503 
1 1 1   13   10   11 o  1428.73   35.844   52.328   2.1050   51.990   2.3501   53.699   4.7336  1420.13   32.188  1437.32   64.057 -17.18823 71.68896 
1 1 1   13   10   13 o  1938.13   37.028   98.083   3.3066   99.274   3.9056   95.068   6.2133  1961.82   38.722  1914.43   63.127 47.38708 74.05654 
1 1 1   13   10   15 o  2365.57   31.760  144.140   3.8627  144.140   3.8627   0.0000   0.0000  2365.57   31.760  ?   ?       ?      ? 
1 1 1   13   10   17 o  847.523   31.527   17.351   1.1841   16.309   1.3466   20.904   2.4866  795.701   32.917  899.344   53.779 -103.6435 63.05339 
1 1 1   13   10   19 o  1662.61   31.888   69.158   2.3534   67.132   2.6953   75.658   4.8278  1614.44   32.473  1710.78   54.889 -96.34644 63.77514 
1 1 1   13   10   21 o  1902.43   34.708   94.276   3.1739   95.784   3.8735   91.194   5.5371  1927.42   39.089  1877.44   57.365 49.98328 69.41631 
1 1 1   13   10   23 o  2010.31   31.766  102.487   2.8661  100.599   3.3091  108.154   5.7340  1975.98   32.573  2044.64   54.547 -68.66443 63.53230 
1 1 1   13   10   25 o  613.465   40.363   9.7563   1.2718   9.2481   1.7973   10.266   1.7998  597.333   58.523  629.596   55.603 -32.26263 80.72582 
1 1 1   13   10   27 o  587.614   37.160   9.4105   1.0274   10.277   1.2609   7.6978   1.7725  630.987   38.866  544.241   63.348 86.74554 74.32092 
1 1 1   13   10   29 o  979.039   40.352   24.768   2.0311   24.768   2.0311   0.0000   0.0000  979.039   40.352  ?   ?       ?      ? 
1 1 1   13   10   31 o  1642.37   57.233   70.282   4.8327   70.282   4.8327   0.0000   0.0000  1642.37   57.233  ?   ?       ?      ? 
1 1 1   13   10   33 o  1092.35   33.367   30.857   1.8739   30.857   1.8739   0.0000   0.0000  1092.35   33.367  ?   ?       ?      ? 
1 1 1   13   10   35 o  1969.26   40.957  100.810   4.1467  100.810   4.1467   0.0000   0.0000  1969.26   40.957  ?   ?       ?      ? 
1 1 1   13   10   37 o  557.676   32.605   7.6262   0.8279   7.0917   0.9539   9.2588   1.6671  522.512   35.508  592.840   54.694 -70.32764 65.20940 
1 1 1   13   10   39 f  1097.85   34.819   32.578   1.6857   33.436   1.9543   30.084   3.3319  1133.97   33.521  1061.73   61.040 72.24109 69.63852 
1 1 1   13   10   41 f  531.438   43.351   7.4310   1.1845   7.4310   1.1845   0.0000   0.0000  531.438   43.351  ?   ?       ?      ? 
1 1 1   13   10   43 o  604.702   32.685   8.9852   0.9149   8.1484   1.0612   11.408   1.8059  557.295   37.038  652.108   53.865 -94.81299 65.37009 
1 1 1   13   10   45 o  511.503   41.587   7.6396   0.9865   8.7044   1.2241   5.6675   1.6660  573.355   41.528  449.650   72.066 123.7050 83.17494 
1 1 1   13   10   47 o  487.644   35.181   6.2331   0.7714   6.0461   0.8913   6.7915   1.5400  478.815   36.206  496.473   60.331 -17.65778 70.36132 
1 1 1   13   10   49 o  140.926   34.042   0.5162   0.2768   0.5776   0.3149   0.3081   0.5800  145.005   40.622  136.848   54.637 8.157532 68.08364 
1 1 1   13   10   51 o  208.403   54.318   1.2508   0.5879   1.2508   0.5879   0.0000   0.0000  208.403   54.318  ?   ?       ?      ? 
1 1 1   13   10   53 o  286.987   41.000   2.4158   0.5074   2.4422   0.5808   2.3307   1.0423  301.239   37.503  272.734   72.921 28.50421 81.99983 
1 1 1   13   10   55 o  242.105   40.966   1.6071   0.4854   1.2159   0.5908   2.4194   0.8514  201.621   55.325  282.589   60.431 -80.96814 81.93104 
1 1 1   13   11    0 o  429.570   53.930   4.9866   1.1401   4.9866   1.1401   0.0000   0.0000  429.570   53.930  429.570   53.930 0.000000 0.000000 
1 1 1   13   11    2 o  1354.85   40.027   47.445   2.5004   47.083   2.9407   48.390   4.7503  1348.98   42.401  1360.72   67.902 -11.73987 80.05341 
1 1 1   13   11    4 o  536.156   40.473   7.8246   0.7802   7.9751   0.8474   6.9873   1.9990  556.126   29.638  516.186   75.325 39.93964 80.94575 
1 1 1   13   11    6 o  167.650   35.050   0.7441   0.2725   0.7804   0.2976   0.5559   0.6776  170.786   35.072  164.514   60.696 6.271912 70.10075 
1 1 1   13   11    8 o  1037.92   39.507   29.013   1.6118   29.638   1.7886   26.312   3.7179  1072.03   32.452  1003.80   72.041 68.22650 79.01321 
1 1 1   13   11   10 o  172.408   37.465   0.7537   0.3271   0.7656   0.3722   0.7133   0.6853  168.928   42.805  175.889   61.499 -6.960938 74.92945 
1 1 1   13   11   12 o  1540.88   37.711   61.431   2.6477   61.432   3.0967   61.428   5.1050  1543.21   39.031  1538.56   64.538 4.652588 75.42271 
1 1 1   13   11   14 o  1924.30   39.163   95.483   3.8745   95.483   3.8745   0.0000   0.0000  1924.30   39.163  ?   ?       ?      ? 
1 1 1   13   11   16 o  1143.12   32.617   32.323   1.6206   31.175   1.8357   36.381   3.4507  1100.16   32.454  1186.08   56.588 -85.91846 65.23381 
1 1 1   13   11   18 o  728.549   32.711   13.272   1.0423   12.906   1.1860   14.516   2.1852  707.860   32.588  749.239   56.728 -41.37897 65.42216 
1 1 1   13   11   20 o  1938.15   32.683   96.460   2.7860   95.994   3.1950   97.936   5.6912  1930.49   32.191  1945.80   56.890 -15.30359 65.36609 
1 1 1   13   11   22 o  1364.61   33.019   48.518   1.9831   48.928   2.2826   47.255   4.0044  1378.12   32.216  1351.10   57.647 27.02075 66.03867 
1 1 1   13   11   24 o  836.654   31.347   17.200   1.1854   16.314   1.3641   19.933   2.3956  795.610   33.349  877.698   53.088 -82.08862 62.69326 
1 1 1   13   11   26 o  741.111   34.781   15.062   1.1142   15.893   1.2893   12.612   2.2144  785.245   31.936  696.978   61.798 88.26672 69.56239 
1 1 1   13   11   28 o  908.646   40.278   21.330   1.8816   21.330   1.8816   0.0000   0.0000  908.646   40.278  ?   ?       ?      ? 
1 1 1   13   11   30 o  1322.09   35.092   45.567   2.2466   45.999   2.7569   44.714   3.8761  1333.56   40.210  1310.61   57.525 22.95605 70.18497 
1 1 1   13   11   32 o  1032.83   40.525   27.868   2.1518   28.281   3.0568   27.463   3.0295  1040.45   57.145  1025.20   57.477 15.25146 81.05042 
1 1 1   13   11   34 o  765.922   41.071   15.239   1.6173   15.239   1.6173   0.0000   0.0000  765.922   41.071  ?   ?       ?      ? 
1 1 1   13   11   36 o  842.040   41.565   18.470   1.7994   18.470   1.7994   0.0000   0.0000  842.040   41.565  ?   ?       ?      ? 
1 1 1   13   11   38 o  299.483   35.719   2.3337   0.5500   2.3337   0.5500   0.0000   0.0000  299.483   35.719  ?   ?       ?      ? 
1 1 1   13   11   40 o  319.625   43.421   2.6841   0.7135   2.6841   0.7135   0.0000   0.0000  319.625   43.421  ?   ?       ?      ? 
1 1 1   13   11   42 o  794.172   37.395   17.095   1.4275   17.590   1.7522   16.119   2.4614  817.209   41.705  771.136   62.083 46.07361 74.79047 
1 1 1   13   11   44 o  655.580   40.990   13.143   1.1008   14.578   1.2761   8.9676   2.1762  746.254   33.260  564.907   74.929 181.3470 81.97943 
1 1 1   13   11   46 o  746.044   40.610   16.086   1.4191   17.985   1.7599   12.556   2.3994  823.153   41.585  668.934   69.767 154.2186 81.22054 
1 1 1   13   11   48 o  198.872   36.914   1.0683   0.3533   1.0119   0.4154   1.2157   0.6717  191.010   43.301  206.733   59.796 -15.72284 73.82790 
1 1 1   13   11   50 o  234.812   47.585   1.5463   0.5548   1.5463   0.5548   0.0000   0.0000  234.812   47.585  ?   ?       ?      ? 
1 1 1   13   11   52 o  238.444   38.090   1.5175   0.4161   1.3539   0.4855   1.9698   0.8075  219.414   44.562  257.475   61.786 -38.06067 76.17912 
1 1 1   13   11   54 o  163.439   37.710   0.7466   0.3362   0.7674   0.3860   0.6815   0.6840  163.902   44.611  162.976   60.812 0.9263458 75.42052 
1 1 1   13   12    1 o  650.085   27.900   10.909   0.9170   10.849   1.1917   10.996   1.4358  648.217   35.759  651.952   42.836 -3.734741 55.80001 
1 1 1   13   12    3 o  1331.86   37.927   44.827   2.0342   44.108   2.2516   48.024   4.7457  1307.43   33.496  1356.28   68.058 -48.85229 75.85410 
1 1 1   13   12    5 o  2089.36   41.442  114.240   3.8827  115.095   4.5114  111.798   7.6251  2110.16   41.584  2068.56   71.698 41.59985 82.88443 
1 1 1   13   12    7 o  1266.43   39.705   40.760   2.2933   39.797   2.6689   43.478   4.4831  1241.03   41.830  1291.84   67.500 -50.80652 79.41051 
1 1 1   13   12    9 o  1329.32   67.848   45.967   4.6370   0.0000   0.0000   45.967   4.6370  ?   ?   1329.32   67.848      ?      ? 
1 1 1   13   12   11 o  778.823   55.109   15.699   2.2066   15.699   2.2066   0.0000   0.0000  778.823   55.109  ?   ?       ?      ? 
1 1 1   13   12   13 o  1069.94   39.531   29.520   2.1745   29.520   2.1745   0.0000   0.0000  1069.94   39.531  ?   ?       ?      ? 
1 1 1   13   12   15 o  942.133   35.763   22.407   1.5843   21.678   1.8767   24.214   2.9553  916.940   39.810  967.327   59.423 -50.38721 71.52595 
1 1 1   13   12   17 f  1343.08   34.245   46.929   1.9614   47.216   2.2260   45.930   4.1483  1353.99   31.977  1332.17   60.567 21.82300 68.49038 
1 1 1   13   12   19 o  1472.97   32.999   55.063   2.1231   54.239   2.4212   57.804   4.4165  1451.11   32.453  1494.83   57.467 -43.72644 65.99766 
1 1 1   13   12   21 o  447.592   35.333   5.0841   0.7578   4.9286   0.9119   5.4311   1.3625  437.123   40.576  458.060   57.855 -20.93680 70.66526 
1 1 1   13   12   23 o  247.131   37.261   1.6950   0.3902   1.7658   0.4400   1.4345   0.8440  261.770   32.696  232.493   66.967 29.27670 74.52276 
1 1 1   13   12   25 o  739.099   36.469   14.740   1.2745   15.857   1.5615   12.512   2.2059  783.904   38.743  694.293   61.798 89.61139 72.93845 
1 1 1   13   12   27 o  1738.53   33.847   75.722   2.8853   70.407   3.5268   86.479   5.0175  1650.69   41.557  1826.35   53.436 -175.6600 67.69353 
1 1 1   13   12   29 o  324.391   42.145   3.5119   0.5540   4.1297   0.6375   1.6074   1.1194  400.130   30.991  248.652   78.386 151.4775 84.28963 
1 1 1   13   12   31 o  478.585   35.092   5.7714   0.8199   5.4020   0.9983   6.5368   1.4370  456.503   42.535  500.666   55.825 -44.16284 70.18343 
1 1 1   13   12   33 o  901.065   34.488   20.342   1.5257   18.584   1.8634   23.919   2.6576  845.699   42.856  956.432   54.047 -110.7326 68.97583 
1 1 1   13   12   35 o  442.289   42.364   5.1558   0.9630   4.9776   1.3433   5.3441   1.3812  434.389   60.148  450.190   59.674 -15.80084 84.72810 
1 1 1   13   12   37 o  568.082   36.298   8.4059   1.0040   8.2286   1.2306   8.7590   1.7365  561.234   42.648  574.931   58.747 -13.69653 72.59527 
1 1 1   13   12   39 o  684.923   42.084   12.293   1.4819   12.293   1.4819   0.0000   0.0000  684.923   42.084  ?   ?       ?      ? 
1 1 1   13   12   41 o  358.878   44.190   3.3967   0.8153   3.3967   0.8153   0.0000   0.0000  358.878   44.190  ?   ?       ?      ? 
1 1 1   13   12   43 o  614.853   35.017   9.9060   1.1069   9.9060   1.1069   0.0000   0.0000  614.853   35.017  ?   ?       ?      ? 
1 1 1   13   12   45 o  799.396   36.996   16.928   1.4376   16.300   1.7545   18.212   2.5079  782.995   43.584  815.797   59.793 -32.80231 73.99218 
1 1 1   13   12   47 o  139.638   34.593   0.4351   0.2744   0.3801   0.3165   0.6017   0.5510  123.315   41.845  155.961   55.096 -32.64540 69.18517 
1 1 1   13   12   49 o  419.094   44.037   5.2903   0.8335   5.9501   1.0340   4.0666   1.4082  470.833   42.717  367.355   77.022 103.4779 88.07477 
1 1 1   13   12   51 f  319.158   43.516   3.0722   0.6423   3.2956   0.7795   2.5997   1.1336  348.624   43.489  289.692   75.388 58.93167 87.03233 
1 1 1   13   12   53 o   85.783   26.421   0.0000   0.1850   0.0000   0.2094   0.0000   0.3951   72.927   31.255   98.638   42.608 -25.71059 52.84187 
1 1 1   13   12   55 o  455.892   39.944   5.8047   0.8903   5.2328   1.0832   6.9961   1.5634  429.579   49.043  482.205   63.062 -52.62640 79.88725 
1 1 1   13   13    0 o  609.640   45.723   9.7940   1.3509   9.3857   1.7015   10.490   2.2216  594.803   56.833  624.476   71.640 -0.000000 0.000000 
1 1 1   13   13    2 o  262.085   27.548   1.7280   0.3647   1.5419   0.4659   2.0225   0.5862  244.394   37.078  279.776   40.753 -35.38232 55.09581 
1 1 1   13   13    4 o  512.933   28.097   6.7397   0.7299   6.4891   0.9457   7.1088   1.1478  501.418   36.685  524.449   42.568 -23.03165 56.19457 
1 1 1   13   13    6 o  909.794   34.230   21.055   1.5733   23.312   2.5145   19.603   2.0170  948.789   51.548  870.798   45.052 77.99030 68.46062 
1 1 1   13   13    8 o  741.459   42.711   13.736   1.5952   11.706   2.0238   17.066   2.5921  671.978   58.578  810.940   62.172 -138.9616 85.42102 
1 1 1   13   13   10 o  1024.11   59.918   27.173   3.1548   27.173   3.1548   0.0000   0.0000  1024.11   59.918  ?   ?       ?      ? 
1 1 1   13   13   12 f  714.573   38.086   13.042   1.2450   12.854   1.4543   13.555   2.4085  706.010   40.066  723.137   64.782 -17.12756 76.17107 
1 1 1   13   13   14 o  359.464   35.323   2.9008   0.5971   2.3352   0.6937   4.5189   1.1733  300.828   44.851  418.100   54.582 -117.2716 70.64552 
1 1 1   13   13   16 o  1584.81   37.003   65.613   2.7119   66.576   3.2126   63.224   5.0587  1607.06   38.883  1562.56   62.970 44.50513 74.00694 
1 1 1   13   13   18 o  1644.16   36.424   71.061   2.8016   72.885   3.3547   66.857   5.0933  1681.42   38.807  1606.90   61.651 74.52478 72.84808 
1 1 1   13   13   20 o  1338.69   40.594   46.355   2.7896   45.975   3.8332   46.783   4.0675  1333.08   55.928  1344.29   58.853 -11.21033 81.18870 
1 1 1   13   13   22 o  1505.53   32.530   57.058   2.1648   55.693   2.4774   61.466   4.4522  1470.15   32.777  1540.91   56.199 -70.76074 65.05911 
1 1 1   13   13   24 o  802.996   31.593   15.504   1.1396   14.411   1.3024   19.072   2.3536  747.672   33.882  858.319   53.335 -110.6465 63.18692 
1 1 1   13   13   26 o  333.571   40.447   3.1145   0.6104   3.3951   0.7393   2.5133   1.0822  362.597   39.656  304.545   70.508 58.05173 80.89454 
1 1 1   13   13   28 o  688.410   33.267   12.227   1.1774   12.227   1.1774   0.0000   0.0000  688.410   33.267  ?   ?       ?      ? 
1 1 1   13   13   30 o  1365.45   33.354   48.656   2.0203   48.922   2.3332   47.857   4.0386  1376.30   32.974  1354.61   57.989 21.69397 66.70854 
1 1 1   13   13   32 o  1055.68   34.139   29.595   1.5878   30.171   1.8349   27.877   3.1678  1080.12   33.043  1031.23   59.750 48.88513 68.27754 
1 1 1   13   13   34 o  540.461   33.118   7.1890   0.8028   6.7733   0.9194   8.5242   1.6475  511.182   34.981  569.740   56.244 -58.55771 66.23509 
1 1 1   13   13   36 o  680.519   37.933   12.746   1.2239   13.865   1.5109   10.609   2.0874  729.461   40.287  631.576   64.285 97.88525 75.86599 
1 1 1   13   13   38 o  753.784   36.153   14.955   1.3180   14.868   1.6107   15.130   2.2929  753.843   41.559  753.725   59.171 0.1179199 72.30682 
1 1 1   13   13   40 o  358.518   40.752   3.5128   0.6790   3.5559   0.8261   3.4230   1.1920  367.552   43.716  349.485   68.789 18.06686 81.50475 
1 1 1   13   13   42 o  651.549   42.271   11.205   1.4160   11.205   1.4160   0.0000   0.0000  651.549   42.271  ?   ?       ?      ? 
1 1 1   13   13   44 o  394.835   36.790   4.1014   0.7468   4.1014   0.7468   0.0000   0.0000  394.835   36.790  ?   ?       ?      ? 
1 1 1   13   13   46 o  673.268   43.299   12.080   1.4988   12.080   1.4988   0.0000   0.0000  673.268   43.299  ?   ?       ?      ? 
1 1 1   13   13   48 o  325.888   43.228   3.4605   0.5859   3.8919   0.6768   2.1698   1.1707  383.996   34.282  267.780   79.369 116.2155 86.45651 
1 1 1   13   13   50 o  542.295   44.295   7.9628   1.2350   7.9628   1.2350   0.0000   0.0000  542.295   44.295  ?   ?       ?      ? 
1 1 1   13   13   52 o  342.328   34.453   2.8102   0.5443   2.3226   0.6248   4.3443   1.1083  292.455   41.556  392.202   54.966 -99.74649 68.90682 
1 1 1   13   13   54 f  256.472   39.637   1.6103   0.4419   1.2962   0.4980   2.7725   0.9580  211.947   46.942  300.998   63.882 -89.05153 79.27435 
1 1 1   13   14    1 o  584.072   33.766   8.6886   0.9887   8.2423   1.2515   9.4299   1.6128  564.768   43.100  603.375   51.989 -38.60657 67.53132 
1 1 1   13   14    3 o  1168.51   30.507   35.283   1.8324   34.523   2.5942   36.039   2.5886  1155.89   43.654  1181.13   42.628 -25.23633 61.01476 
1 1 1   13   14    5 o  331.129   41.044   2.9264   0.6732   3.5312   0.9490   2.3137   0.9551  369.461   49.961  292.796   65.132 76.66537 82.08708 
1 1 1   13   14    7 o  711.741   38.713   13.115   1.4163   13.220   1.9888   13.006   2.0175  714.692   54.127  708.789   55.363 5.903015 77.42549 
1 1 1   13   14    9 o  1769.56   41.631   81.222   3.7603   79.920   5.6416   82.263   5.0443  1755.96   62.491  1783.17   55.022 -27.20898 83.26193 
1 1 1   13   14   11 o  1468.24   29.422   55.652   2.2154   56.313   3.0383   54.901   3.2373  1477.75   39.990  1458.72   43.166 19.02747 58.84362 
1 1 1   13   14   13 o  690.273   29.125   12.244   1.0318   11.478   1.4108   13.124   1.5127  667.154   41.132  713.392   41.245 -46.23846 58.24934 
1 1 1   13   14   15 o  2149.38   37.231  118.985   3.6865  118.508   4.3357  120.231   7.0042  2144.04   39.333  2154.71   63.227 -10.66602 74.46278 
1 1 1   13   14   17 o  1102.48   35.889   30.565   1.8564   29.429   2.1935   33.435   3.4853  1068.34   39.936  1136.63   59.642 -68.28149 71.77736 
1 1 1   13   14   19 o  1849.82   35.398   87.014   3.1076   84.865   3.7140   92.032   5.6745  1814.04   39.823  1885.60   58.534 -71.55457 70.79568 
1 1 1   13   14   21 o  880.923   41.477   20.270   1.8623   22.154   2.5576   18.144   2.7169  925.392   53.757  836.454   63.179 88.93860 82.95371 
1 1 1   13   14   23 o  1672.90   35.805   73.615   2.8462   75.730   3.4518   69.125   5.0307  1713.15   39.190  1632.64   59.933 80.50757 71.60918 
1 1 1   13   14   25 o  1410.72   40.552   51.609   2.9407   50.448   4.1162   52.819   4.2026  1394.52   57.412  1426.93   57.286 -32.41626 81.10363 
1 1 1   13   14   27 o  582.772   33.261   8.7612   0.9966   8.7612   0.9966   0.0000   0.0000  582.772   33.261  ?   ?       ?      ? 
1 1 1   13   14   29 o  826.606   32.314   16.934   1.2022   16.157   1.3822   19.350   2.4368  790.921   33.990  862.292   54.967 -71.37152 64.62775 
1 1 1   13   14   31 o  633.530   35.938   10.582   1.0996   10.839   1.3517   10.079   1.8907  646.573   40.661  620.487   59.269 26.08643 71.87597 
1 1 1   13   14   33 o  444.577   33.305   5.0009   0.6690   4.8406   0.7732   5.4782   1.3343  432.253   34.793  456.901   56.800 -24.64795 66.60941 
1 1 1   13   14   35 o  543.798   36.792   7.6445   0.9715   7.4068   1.1844   8.1332   1.6982  532.848   43.235  554.748   59.542 -21.89990 73.58315 
1 1 1   13   14   37 o  569.677   34.136   8.2993   0.8687   8.0692   0.9994   9.0100   1.7569  556.983   34.901  582.371   58.678 -25.38751 68.27275 
1 1 1   13   14   39 o  449.648   35.111   5.2732   0.8117   5.2732   0.8117   0.0000   0.0000  449.648   35.111  ?   ?       ?      ? 
1 1 1   13   14   41 o  286.500   46.601   2.3219   0.6725   2.1898   0.9556   2.4516   0.9467  277.795   67.561  295.204   64.203 -17.40836 93.20158 
1 1 1   13   14   43 f  515.060   37.743   7.1560   0.9390   7.1871   1.1505   7.0938   1.6251  520.837   42.964  509.282   62.067 11.55438 75.48657 
1 1 1   13   14   45 o  333.072   68.821   3.1949   1.1395   3.1949   1.1395   0.0000   0.0000  333.072   68.821  ?   ?       ?      ? 
1 1 1   13   14   47 o  346.412   37.718   3.1794   0.6718   3.1794   0.6718   0.0000   0.0000  346.412   37.718  ?   ?       ?      ? 
1 1 1   13   14   49 o  163.564   47.751   0.7449   0.4266   0.7449   0.4266   0.0000   0.0000  163.564   47.751  ?   ?       ?      ? 
1 1 1   13   14   51 o  247.102   38.803   1.7759   0.4333   1.8154   0.5003   1.6572   0.8668  260.233   37.395  233.971   68.002 26.26212 77.60521 
1 1 1   13   14   53 o  142.735   35.216   0.5395   0.2852   0.5857   0.3171   0.3437   0.6523  144.403   40.866  141.067   57.364 3.336426 70.43256 
1 1 1   13   14   55 o  428.947   50.556   6.3900   0.9440   7.4547   1.1574   4.2741   1.6317  516.666   43.571  341.228   91.241 175.4384 101.1110 
1 1 1   13   15    0 o  326.271   54.314   3.1576   0.7645   3.1876   1.2621   3.1402   0.9609  319.930   88.708  332.612   62.699 0.000000 0.000000 
1 1 1   13   15    2 o  432.347   28.472   4.8239   0.6256   4.8242   0.8246   4.8235   0.9602  432.491   37.086  432.203   43.212 0.2879944 56.94445 
1 1 1   13   15    4 o  194.053   33.559   0.9660   0.3181   0.8637   0.3893   1.1717   0.5518  179.346   42.815  208.760   51.688 -29.41338 67.11797 
1 1 1   13   15    6 o  1160.19   34.627   34.809   1.9923   34.881   2.5083   34.685   3.2793  1162.63   41.964  1157.76   55.093 4.868164 69.25483 
1 1 1   13   15    8 o  1331.00   47.935   46.304   3.2525   49.433   4.4238   42.622   4.7984  1381.26   62.294  1280.73   72.874 100.5341 95.87051 
1 1 1   13   15   10 o  1069.08   29.664   29.468   1.6283   29.241   2.2416   29.723   2.3693  1064.80   40.946  1073.37   42.934 -8.574585 59.32868 
1 1 1   13   15   12 o  2277.67   29.309  133.774   3.4248  133.604   4.6914  133.969   5.0112  2276.35   40.086  2278.99   42.769 -2.641602 58.61855 
1 1 1   13   15   14 f  750.318   29.070   14.481   1.1194   13.943   1.5280   15.104   1.6444  735.355   40.417  765.282   41.795 -29.92706 58.14099 
1 1 1   13   15   16 o  517.837   29.230   6.9468   0.7741   7.3144   1.0608   6.5279   1.1323  532.661   38.735  503.012   43.784 29.64896 58.45908 
1 1 1   13   15   18 o  384.721   30.352   3.8749   0.5914   4.4414   0.8144   3.2431   0.8601  415.050   38.166  354.392   47.205 60.65771 60.70420 
1 1 1   13   15   20 o  1550.52   41.269   62.465   3.2730   64.627   4.4582   59.937   4.8206  1580.38   54.869  1520.65   61.660 59.73694 82.53796 
1 1 1   13   15   22 o  950.210   35.266   22.759   1.6004   21.814   1.9157   24.942   2.9116  919.350   40.529  981.069   57.726 -61.71838 70.53292 
1 1 1   13   15   24 o  1415.99   40.919   52.001   2.9766   51.802   4.1257   52.216   4.2988  1413.42   56.775  1418.57   58.942 -5.158936 81.83813 
1 1 1   13   15   26 o  690.069   40.292   12.303   1.4295   12.303   1.4295   0.0000   0.0000  690.069   40.292  ?   ?       ?      ? 
1 1 1   13   15   28 o  1196.74   35.469   37.313   2.0438   37.575   2.4929   36.776   3.5693  1205.23   40.232  1188.25   58.426 16.97742 70.93800 
1 1 1   13   15   30 o  478.315   38.985   6.3242   0.8688   6.9486   1.0618   5.0590   1.5114  517.872   39.880  438.759   66.999 79.11200 77.96981 
1 1 1   13   15   32 o  644.737   35.076   11.137   0.9896   11.420   1.1421   10.284   1.9823  664.231   33.445  625.242   61.667 38.98932 70.15253 
1 1 1   13   15   34 o  483.500   32.396   5.5242   0.7104   4.9528   0.8123   7.3836   1.4653  436.796   36.171  530.205   53.755 -93.40823 64.79106 
1 1 1   13   15   36 o  973.593   35.382   24.348   1.6838   23.131   2.0593   26.802   2.9246  940.779   42.575  1006.41   56.523 -65.62781 70.76398 
1 1 1   13   15   38 o  250.635   37.591   1.6404   0.4844   1.6404   0.4844   0.0000   0.0000  250.635   37.591  ?   ?       ?      ? 
1 1 1   13   15   40 o  717.300   36.639   14.212   1.1421   14.718   1.3198   12.702   2.2786  750.770   34.194  683.830   64.810 66.94006 73.27699 
1 1 1   13   15   42 f  672.948   35.995   12.403   1.0570   12.687   1.2197   11.547   2.1184  696.133   34.080  649.764   63.413 46.36871 71.99084 
1 1 1   13   15   44 o  319.907   33.325   2.4362   0.4995   2.0598   0.5800   3.5173   0.9829  278.970   40.436  360.844   52.982 -81.87439 66.64989 
1 1 1   13   15   46 o  148.637   37.665   0.4319   0.3972   0.8906   0.5703   0.0000   0.5534  179.867   55.831  117.407   50.571 62.45975 75.32973 
1 1 1   13   15   48 o  364.981   44.853   3.5906   0.8417   3.5906   0.8417   0.0000   0.0000  364.981   44.853  ?   ?       ?      ? 
1 1 1   13   15   50 o  235.173   50.561   1.5754   0.5931   1.5754   0.5931   0.0000   0.0000  235.173   50.561  ?   ?       ?      ? 
1 1 1   13   15   52 o  164.685   42.387   0.7675   0.3610   0.7675   0.3610   0.0000   0.0000  164.685   42.387  ?   ?       ?      ? 
1 1 1   13   15   54 o  631.481   41.340   11.832   1.2447   12.091   1.5245   11.314   2.1557  658.149   45.055  604.814   69.325 53.33563 82.67946 
1 1 1   13   16    1 o  1126.77   27.833   32.412   1.6000   30.211   2.1108   35.385   2.4531  1082.40   37.931  1171.15   40.741 -88.74451 55.66517 
1 1 1   13   16    3 f  261.474   27.276   1.7615   0.3664   1.8060   0.5296   1.7207   0.5075  264.627   38.929  258.322   38.216 6.304199 54.55202 
1 1 1   13   16    5 f  1689.28   28.518   73.785   2.4448   74.784   3.2214   72.429   3.7543  1703.27   36.787  1675.30   43.588 27.96265 57.03625 
1 1 1   13   16    7 o  929.255   40.500   21.755   1.7076   21.123   1.9787   23.598   3.3798  904.870   42.532  953.639   68.935 -48.76965 80.99991 
1 1 1   13   16    9 o  583.696   30.079   8.7679   0.9016   8.2677   1.2422   9.3248   1.3107  566.138   42.677  601.255   42.400 -35.11749 60.15834 
1 1 1   13   16   11 o  1419.82   29.439   51.864   2.1459   49.705   2.9407   54.324   3.1384  1388.33   41.200  1451.32   42.061 -62.98889 58.87707 
1 1 1   13   16   13 o  1286.75   29.241   42.649   1.9305   41.969   2.6384   43.433   2.8322  1275.83   40.224  1297.67   42.451 -21.84082 58.48125 
1 1 1   13   16   15 o  1619.93   29.125   67.794   2.4176   69.286   3.3084   66.084   3.5415  1639.33   39.254  1600.53   43.039 38.80164 58.25089 
1 1 1   13   16   17 o  1051.22   28.841   28.413   1.5562   26.862   2.1292   30.192   2.2802  1020.53   40.581  1081.90   40.994 -61.36554 57.68296 
1 1 1   13   16   19 o  2379.75   36.539  145.328   4.0576  143.826   4.8054  149.060   7.5740  2361.33   39.583  2398.18   61.429 -36.84302 73.07767 
1 1 1   13   16   21 o  414.346   29.297   4.4403   0.6226   4.5952   0.8615   4.2709   0.9010  421.996   39.706  406.695   43.091 15.30081 58.59480 
1 1 1   13   16   23 o  932.938   41.239   22.497   1.9745   21.155   2.6980   24.043   2.8973  903.133   58.107  962.742   58.535 -59.60870 82.47853 
1 1 1   13   16   25 o  1158.35   40.020   34.662   2.3834   34.662   2.3834   0.0000   0.0000  1158.35   40.020  ?   ?       ?      ? 
1 1 1   13   16   27 o  895.565   35.874   20.672   1.5418   20.422   1.8659   21.212   2.7373  888.556   40.844  902.575   58.988 -14.01892 71.74863 
1 1 1   13   16   29 o  1199.47   35.075   36.754   2.0381   35.499   2.4763   39.389   3.5883  1170.45   41.152  1228.48   56.813 -58.03564 70.15082 
1 1 1   13   16   31 o  1171.59   41.642   36.028   2.4913   30.803   3.4675   41.604   3.5819  1082.31   62.315  1260.86   55.256 -178.5510 83.28455 
1 1 1   13   16   33 o  488.734   41.065   6.8283   0.9114   7.7005   1.1080   5.0037   1.6026  544.262   39.598  433.205   71.954 111.0569 82.13009 
1 1 1   13   16   35 o  1372.32   37.037   50.805   2.4235   53.160   2.9663   46.078   4.2030  1427.86   40.407  1316.78   62.083 111.0793 74.07410 
1 1 1   13   16   37 o  742.224   42.359   14.433   1.6164   14.433   1.6164   0.0000   0.0000  742.224   42.359  ?   ?       ?      ? 
1 1 1   13   16   39 o  180.560   39.147   0.7698   0.3324   0.6993   0.3689   1.0741   0.7665  160.348   43.597  200.772   65.032 -40.42357 78.29359 
1 1 1   13   16   41 o  249.516   42.577   1.8885   0.5396   2.2306   0.6486   1.1197   0.9724  290.423   43.440  208.609   73.241 81.81364 85.15459 
1 1 1   13   16   43 o  173.285   36.489   0.8500   0.3274   0.9302   0.3732   0.5820   0.6822  184.195   40.510  162.375   60.703 21.82007 72.97898 
1 1 1   13   16   45 o  457.840   39.515   5.7081   0.8709   5.6877   1.0622   5.7500   1.5210  461.345   44.784  454.336   65.116 7.008301 79.02969 
1 1 1   13   16   47 o  510.217   38.416   7.0078   0.9438   6.7576   1.1427   7.5449   1.6744  501.568   44.312  518.867   62.767 -17.29913 76.83276 
1 1 1   13   16   49 o  239.955   40.621   1.7260   0.4948   1.9494   0.6122   1.3050   0.8403  268.277   44.387  211.633   68.044 56.64388 81.24104 
1 1 1   13   16   51 o  494.179   39.385   6.6316   0.9434   6.0949   1.1398   7.7990   1.6810  470.172   47.154  518.186   63.096 -48.01324 78.76920 
1 1 1   13   16   53 o  237.645   53.386   1.6653   0.6363   1.6653   0.6363   0.0000   0.0000  237.645   53.386  ?   ?       ?      ? 
1 1 1   13   17    0 o  879.847   45.152   20.241   1.9461   20.096   2.4487   20.489   3.2065  877.783   54.747  881.911   71.815 -0.000000 0.000000 
1 1 1   13   17    2 o  1782.86   28.622   82.277   2.6027   84.593   3.4965   79.401   3.8974  1811.49   37.543  1754.22   43.214 57.27380 57.24453 
1 1 1   13   17    4 o  1226.20   28.968   38.867   1.8125   39.545   2.4316   38.018   2.7190  1238.53   38.188  1213.86   43.568 24.66650 57.93529 
1 1 1   13   17    6 o  418.355   42.091   4.3747   0.8078   4.1979   0.9397   4.8751   1.5807  403.314   45.319  433.397   70.942 -30.08392 84.18171 
1 1 1   13   17    8 o  574.610   38.601   8.3400   1.0642   9.0750   1.9165   8.0123   1.2796  591.969   62.971  557.250   44.664 34.71887 77.20271 
1 1 1   13   17   10 o  977.786   29.940   24.688   1.5017   25.147   2.0673   24.175   2.1851  987.540   40.717  968.033   43.905 19.50665 59.87902 
1 1 1   13   17   12 o  2130.97   29.445  116.970   3.2205  114.851   4.4106  119.391   4.7134  2110.48   40.648  2151.46   42.612 -40.97900 58.89057 
1 1 1   13   17   14 o  1761.67   29.239   80.040   2.6414   80.031   3.6083   80.051   3.8773  1761.77   39.836  1761.57   42.812 0.1917725 58.47897 
1 1 1   13   17   16 o  881.813   29.457   20.175   1.3271   21.453   1.8168   18.713   1.9431  912.135   38.741  851.491   44.385 60.64459 58.91443 
1 1 1   13   17   18 o  1070.51   40.410   31.737   1.9242   34.233   2.2726   25.416   3.6165  1152.13   38.367  988.883   71.133 163.2490 80.82016 
1 1 1   13   17   20 o  2127.57   34.863  116.770   3.6629  118.012   6.1102  116.074   4.5763  2134.68   55.674  2120.46   41.978 14.22461 69.72640 
1 1 1   13   17   22 o  699.694   36.489   13.049   1.2361   11.481   2.0680   13.921   1.5419  665.099   60.479  734.289   40.844 -69.19000 72.97861 
1 1 1   13   17   24 o  388.731   34.264   3.5634   0.6524   2.7731   0.7907   5.2477   1.1544  327.344   46.985  450.117   49.884 -122.7735 68.52750 
1 1 1   13   17   26 o  1439.74   37.287   55.781   2.5121   58.971   3.0375   48.874   4.4689  1510.47   39.113  1369.00   63.493 141.4763 74.57390 
1 1 1   13   17   28 o  226.413   42.125   1.4294   0.4832   1.5645   0.5871   1.1455   0.8509  241.123   49.028  211.703   68.515 29.41920 84.25014 
1 1 1   13   17   30 o  470.246   43.653   5.8258   1.0368   4.5034   1.4348   7.2711   1.5000  413.226   67.534  527.265   55.333 -114.0389 87.30695 
1 1 1   13   17   32 o  735.150   35.757   13.971   1.2739   13.646   1.5525   14.641   2.2286  724.248   41.694  746.052   58.102 -21.80426 71.51375 
1 1 1   13   17   34 o  968.143   35.650   24.056   1.6786   22.964   2.0437   26.319   2.9428  938.109   42.374  998.178   57.344 -60.06940 71.30096 
1 1 1   13   17   36 o  928.693   59.282   22.965   2.8305   22.965   2.8305   0.0000   0.0000  928.693   59.282  ?   ?       ?      ? 
1 1 1   13   17   38 o  336.524   41.167   3.3084   0.5662   3.5020   0.6472   2.6770   1.1691  366.444   34.353  306.603   74.826 59.84122 82.33477 
1 1 1   13   17   40 o  255.303   42.621   1.7736   0.5100   1.7057   0.6026   1.9452   0.9578  249.360   48.749  261.246   69.926 -11.88663 85.24177 
1 1 1   13   17   42 o  368.800   40.511   3.8738   0.6243   4.0057   0.7197   3.4727   1.2550  390.524   35.843  347.075   72.662 43.44934 81.02190 
1 1 1   13   17   44 o  126.149   35.406   0.2550   0.2457   0.2487   0.2619   0.3010   0.7091  105.177   37.898  147.121   59.817 -41.94384 70.81133 
1 1 1   13   17   46 o  257.879   38.712   2.3692   0.4901   3.0129   0.5734   0.6246   0.9440  338.358   32.961  177.399   70.057 160.9593 77.42415 
1 1 1   13   17   48 o  729.148   35.190   14.104   1.3192   14.104   1.3192   0.0000   0.0000  729.148   35.190  ?   ?       ?      ? 
1 1 1   13   17   50 o  196.118   38.333   1.2331   0.4374   1.6132   0.5220   0.3363   0.8018  240.328   43.861  151.909   62.879 88.41934 76.66528 
1 1 1   13   17   52 f  364.933   48.097   4.5643   0.7858   5.4116   0.9550   2.7878   1.3827  444.644   41.774  285.223   86.650 159.4211 96.19397 
1 1 1   13   17   54 o  213.066   47.737   1.3577   0.6246   0.6994   0.8415   2.1654   0.9321  167.398   66.134  258.736   68.859 -91.33794 95.47410 
1 1 1   13   18    1 o  154.590   29.994   0.6446   0.2478   0.7465   0.3282   0.5095   0.3778  166.845   38.963  142.335   45.611 24.51042 59.98721 
1 1 1   13   18    3 o  2606.04   26.619  175.066   3.5591  174.814   5.2015  175.288   4.8804  2604.05   38.852  2608.03   36.398 -3.981201 53.23796 
1 1 1   13   18    5 o  2124.94   40.531  116.064   3.6896  115.481   4.1835  118.102   7.8273  2116.59   38.445  2133.30   71.366 -16.70435 81.06216 
1 1 1   13   18    7 o  1371.74   39.929   49.154   2.5762   47.411   4.6707   49.916   3.0885  1352.41   67.175  1391.08   43.184 -38.66870 79.85779 
1 1 1   13   18    9 o  542.207   30.573   7.5837   0.8418   6.0880   1.1610   9.2421   1.2225  485.682   46.494  598.732   39.714 -113.0502 61.14635 
1 1 1   13   18   11 o  953.390   29.843   23.388   1.4609   22.318   2.0056   24.598   2.1323  930.224   41.935  976.556   42.471 -46.33197 59.68550 
1 1 1   13   18   13 o  965.566   29.733   24.072   1.4714   24.355   2.0099   23.744   2.1599  971.845   40.227  959.287   43.794 12.55774 59.46533 
1 1 1   13   18   15 o  2367.00   29.186  144.409   3.5430  142.856   4.8325  146.213   5.2100  2353.52   39.938  2380.48   42.570 -26.96045 58.37154 
1 1 1   13   18   17 o  635.693   42.195   11.274   1.1706   12.148   1.3699   8.9087   2.2540  686.295   38.824  585.091   74.930 101.2050 84.39030 
1 1 1   13   18   19 o  1002.59   42.785   26.069   2.1855   26.074   2.9034   26.061   3.3198  1003.31   56.287  1001.87   64.451 1.435547 85.56919 
1 1 1   13   18   21 o  1048.81   35.999   29.047   1.8421   26.544   3.0691   30.456   2.3031  1011.56   59.013  1086.06   41.247 -74.49597 71.99880 
1 1 1   13   18   23 o  177.460   36.632   0.8248   0.3442   0.8258   0.4259   0.8231   0.5844  175.553   46.463  179.367   56.646 -3.813766 73.26426 
1 1 1   13   18   25 o  1297.82   29.048   43.582   1.9360   44.243   2.6871   42.869   2.7918  1308.26   39.950  1287.38   42.180 20.88025 58.09629 
1 1 1   13   18   27 o  1090.61   29.055   30.783   1.6285   29.601   2.2717   32.031   2.3356  1069.05   41.331  1112.17   40.847 -43.11646 58.11001 
1 1 1   13   18   29 o  877.374   37.574   20.642   1.5478   21.531   1.8689   18.701   2.7620  911.194   39.893  843.554   63.685 67.63995 75.14812 
1 1 1   13   18   31 o  1327.20   35.324   44.854   2.2698   42.663   2.7485   49.553   4.0252  1280.83   41.738  1373.58   56.999 -92.74670 70.64700 
1 1 1   13   18   33 o  635.315   36.539   10.543   1.1250   10.430   1.3755   10.771   1.9552  632.425   42.304  638.205   59.589 -5.779297 73.07859 
1 1 1   13   18   35 o  788.080   42.374   16.528   1.7167   16.761   2.4263   16.294   2.4293  793.855   59.447  782.304   60.401 11.55090 84.74786 
1 1 1   13   18   37 o  381.672   37.667   3.6643   0.7033   3.2473   0.8527   4.5519   1.2440  350.825   47.275  412.518   58.654 -61.69336 75.33401 
1 1 1   13   18   39 o  333.816   39.258   2.5489   0.6103   1.5383   0.7253   4.9994   1.1294  234.390   59.947  433.242   50.705 -198.8518 78.51505 
1 1 1   13   18   41 o  462.202   35.848   5.4254   0.7301   5.1591   0.8313   6.3235   1.5269  443.192   36.485  481.211   61.719 -38.01926 71.69604 
1 1 1   13   18   43 o  352.170   35.047   3.0858   0.5615   2.8274   0.6456   3.8877   1.1372  327.230   38.376  377.110   58.655 -49.88019 70.09358 
1 1 1   13   18   45 o  202.692   43.149   1.1717   0.4414   1.2349   0.4963   0.9325   0.9658  210.526   47.038  194.858   72.351 15.66769 86.29763 
1 1 1   13   18   47 o  137.921   41.302   0.5171   0.3158   0.5171   0.3158   0.0000   0.0000  137.921   41.302  ?   ?       ?      ? 
1 1 1   13   18   49 o  249.286   40.265   2.0711   0.4955   2.4857   0.5838   1.0027   0.9371  304.834   37.250  193.738   71.397 111.0961 80.53005 
1 1 1   13   18   51 o  164.258   35.942   0.8155   0.3296   0.9479   0.3732   0.3465   0.7026  183.557   40.620  144.960   59.307 38.59686 71.88417 
1 1 1   13   18   53 o  378.383   36.713   3.7126   0.6321   3.2977   0.7252   5.0244   1.2895  346.118   40.756  410.648   61.077 -64.53040 73.42681 
1 1 1   13   19    0 o  765.621   46.606   15.416   1.7529   15.645   2.8325   15.274   2.2315  768.007   73.269  763.234   57.623 0.000000 0.000000 
1 1 1   13   19    2 o  887.216   28.872   20.274   1.3119   20.034   1.7743   20.563   1.9486  881.551   39.147  892.881   42.449 -11.33057 57.74414 
1 1 1   13   19    4 o  1507.06   40.591   58.337   2.6604   57.985   3.0350   59.502   5.5280  1499.75   39.361  1514.37   71.001 -14.61768 81.18143 
1 1 1   13   19    6 o  1419.81   32.490   52.041   2.3584   51.855   3.5229   52.191   3.1748  1417.22   48.350  1422.41   43.413 -5.180176 64.98017 
1 1 1   13   19    8 o  1961.26   30.684   99.275   3.0920  103.107   4.3666   95.423   4.3789  1999.38   42.480  1923.15   44.288 76.22534 61.36720 
1 1 1   13   19   10 o  1597.51   30.070   65.849   2.4675   66.304   3.4232   65.357   3.5598  1603.38   41.527  1591.64   43.502 11.73962 60.14071 
1 1 1   13   19   12 o  1816.68   29.788   85.329   2.7731   87.966   3.8084   82.353   4.0459  1846.92   40.108  1786.44   44.052 60.47900 59.57505 
1 1 1   13   19   14 o  708.861   29.739   12.928   1.0817   12.409   1.4748   13.532   1.5914  693.553   41.360  724.169   42.742 -30.61566 59.47725 
1 1 1   13   19   16 o  819.043   29.632   17.358   1.2427   17.921   1.7000   16.713   1.8212  833.493   39.672  804.593   44.026 28.89978 59.26381 
1 1 1   13   19   18 o  285.625   47.410   2.2369   0.6777   2.4160   0.8794   1.9749   1.0635  300.186   59.082  271.064   74.164 29.12192 94.82042 
1 1 1   13   19   20 o  1901.98   39.874   93.814   3.8972   96.518   5.4875   91.062   5.5358  1929.95   55.305  1874.01   57.456 55.93604 79.74850 
1 1 1   13   19   22 o  396.190   40.069   4.4341   0.7142   4.9826   0.8783   3.3633   1.2272  439.258   38.893  353.121   70.068 86.13681 80.13850 
1 1 1   13   19   24 f  2218.40   29.033  127.548   3.3029  133.334   4.5825  121.291   4.7650  2271.44   39.240  2165.35   42.802 106.0969 58.06682 
1 1 1   13   19   26 o  1212.51   29.085   38.009   1.8115   35.929   2.5091   40.274   2.6180  1177.85   41.434  1247.18   40.830 -69.33228 58.17067 
1 1 1   13   19   28 o  290.336   32.568   2.2295   0.4737   2.3920   0.6608   2.0577   0.6793  303.585   42.337  277.088   49.500 26.49692 65.13599 
1 1 1   13   19   30 o  1206.87   35.330   37.312   2.0968   40.567   3.5868   35.622   2.5845  1243.57   56.101  1170.17   42.959 73.40515 70.65961 
1 1 1   13   19   32 o  193.775   39.426   1.0444   0.4040   1.1638   0.4837   0.7691   0.7345  207.038   46.569  180.512   63.632 26.52576 78.85203 
1 1 1   13   19   34 o  442.585   44.813   5.2398   1.0167   5.4961   1.4108   4.9628   1.4666  454.629   60.359  430.542   66.255 24.08630 89.62666 
1 1 1   13   19   36 o  702.931   42.217   12.959   1.5257   12.959   1.5257   0.0000   0.0000  702.931   42.217  ?   ?       ?      ? 
1 1 1   13   19   38 o  159.076   40.414   0.5066   0.3668   0.4102   0.4171   0.8350   0.7700  133.739   47.864  184.412   65.133 -50.67274 80.82857 
1 1 1   13   19   40 o  224.995   47.625   1.3814   0.5917   1.1300   0.7767   1.7289   0.9132  203.730   65.410  246.260   69.239 -42.52979 95.24931 
1 1 1   13   19   42 o  400.921   35.574   3.8213   0.6323   3.3924   0.7142   5.3764   1.3601  358.473   38.754  443.369   59.668 -84.89642 71.14861 
1 1 1   13   19   44 o  534.536   41.153   8.5741   0.9077   9.2534   1.0450   6.4872   1.8317  592.964   34.278  476.107   74.829 116.8571 82.30674 
1 1 1   13   19   46 o  435.252   43.284   5.0844   0.9686   5.0844   0.9686   0.0000   0.0000  435.252   43.284  ?   ?       ?      ? 
1 1 1   13   19   48 o  292.436   43.989   2.7226   0.5441   2.9217   0.6142   1.9975   1.1723  331.173   36.073  253.699   80.243 77.47377 87.97814 
1 1 1   13   19   50 o  329.739   44.305   3.2329   0.6659   3.2862   0.7940   3.1066   1.2226  346.266   44.603  313.212   76.566 33.05356 88.61005 
1 1 1   13   19   52 o  239.182   40.954   1.3779   0.4217   1.1085   0.4696   2.4983   0.9578  195.519   47.244  282.845   66.909 -87.32597 81.90740 
1 1 1   13   20    1 o  584.640   29.573   8.9493   0.8730   9.7344   1.1641   7.9406   1.3196  614.594   36.842  554.686   46.271 59.90826 59.14692 
1 1 1   13   20    3 o  1489.49   32.065   57.585   2.3813   58.676   3.0350   55.838   3.8408  1508.67   39.129  1470.31   50.809 38.35974 64.12968 
1 1 1   13   20    5 o  501.180   32.881   6.3770   0.8335   8.2343   1.2621   4.9402   1.1100  564.974   43.449  437.386   49.363 127.5883 65.76135 
1 1 1   13   20    7 f  1436.73   31.434   53.226   2.3209   54.444   3.3430   52.092   3.2247  1452.56   44.765  1420.91   44.143 31.64734 62.86887 
1 1 1   13   20    9 o  1102.73   30.707   31.374   1.7408   31.410   2.4496   31.338   2.4744  1103.38   43.182  1102.08   43.671 1.306030 61.41480 
1 1 1   13   20   11 o  1326.61   30.057   45.374   2.0485   44.618   2.8346   46.201   2.9639  1315.11   41.923  1338.11   43.082 -22.99780 60.11367 
1 1 1   13   20   13 o  1090.49   29.822   30.666   1.6694   30.344   2.2926   31.029   2.4357  1084.51   41.117  1096.48   43.207 -11.96533 59.64447 
1 1 1   13   20   15 o  1988.27   29.507  101.833   3.0090   99.461   4.0958  104.615   4.4354  1963.37   40.575  2013.17   42.853 -49.79932 59.01471 
1 1 1   13   20   17 o  1135.86   38.505   32.702   1.9913   31.919   2.3147   34.934   3.9058  1112.07   40.484  1159.66   65.510 -47.58997 77.00984 
1 1 1   13   20   19 o  868.674   56.875   19.565   2.5401   0.0000   0.0000   19.565   2.5401  ?   ?   868.674   56.875      ?      ? 
1 1 1   13   20   21 o  1169.05   34.293   34.904   1.9495   33.947   2.3808   36.851   3.3960  1146.32   40.398  1191.77   55.425 -45.45081 68.58530 
1 1 1   13   20   23 o  821.124   29.423   17.454   1.2395   17.765   1.7077   17.109   1.8020  829.029   40.066  813.218   43.100 15.81042 58.84614 
1 1 1   13   20   25 o  533.483   29.708   7.3560   0.8140   7.0145   1.1207   7.7372   1.1841  520.419   41.888  546.547   42.139 -26.12823 59.41596 
1 1 1   13   20   27 o  703.187   29.398   12.823   1.0617   12.739   1.4671   12.916   1.5385  700.888   40.713  705.486   42.418 -4.597961 58.79524 
1 1 1   13   20   29 o  337.873   47.633   3.1681   0.8033   3.9184   1.0988   2.3070   1.1773  386.678   55.274  289.067   77.591 97.61179 95.26524 
1 1 1   13   20   31 o  1021.75   29.529   27.193   1.5505   27.189   2.1611   27.199   2.2258  1021.85   41.136  1021.65   42.375 0.2061157 59.05748 
1 1 1   13   20   33 o  891.732   43.058   21.182   1.9685   22.785   2.7696   19.545   2.7983  927.227   58.097  856.237   63.567 70.99011 86.11661 
1 1 1   13   20   35 o  897.603   41.552   21.105   1.9175   21.105   1.9175   0.0000   0.0000  897.603   41.552  ?   ?       ?      ? 
1 1 1   13   20   37 o  294.130   44.513   2.5358   0.6170   2.7907   0.7416   1.9626   1.1121  325.321   44.340  262.938   77.199 62.38318 89.02679 
1 1 1   13   20   39 o  405.248   43.614   4.7129   0.7886   5.0086   0.9482   4.0495   1.4203  435.447   42.354  375.048   76.257 60.39914 87.22897 
1 1 1   13   20   41 o  266.794   43.008   2.3034   0.5981   2.9861   0.7289   0.8969   1.0463  335.626   42.244  197.963   74.928 137.6633 86.01584 
1 1 1   13   20   43 o  175.035   42.942   0.6170   0.4066   0.4484   0.4585   1.2376   0.8798  138.774   50.122  211.295   69.740 -72.52110 85.88333 
1 1 1   13   20   45 o  386.211   63.597   4.1846   1.2628   4.1846   1.2628   0.0000   0.0000  386.211   63.597  ?   ?       ?      ? 
1 1 1   13   20   47 o  380.809   42.737   4.3882   0.6583   4.6224   0.7545   3.6418   1.3471  417.220   35.173  344.397   77.901 72.82297 85.47353 
1 1 1   13   20   49 o  324.698   45.985   3.1239   0.6781   3.1372   0.7995   3.0900   1.2797  338.188   45.982  311.208   79.650 26.97977 91.97021 
1 1 1   13   20   51 o  327.201   39.944   2.7297   0.5456   2.4348   0.6098   3.9135   1.2217  298.930   39.678  355.473   69.337 -56.54321 79.88713 
1 1 1   13   21    0 o   80.029   51.533   0.0000   0.4885   0.0000   0.0000   0.0000   0.4885   80.029   51.533   80.029   51.533 -0.000000 0.000000 
1 1 1   13   21    2 f  1638.43   50.036   69.653   4.2145   68.819   5.9142   70.514   6.0074  1628.49   70.638  1648.36   70.886 -19.87097 100.0730 
1 1 1   13   21    4 o  918.297   38.184   21.166   1.5213   22.990   3.2205   20.642   1.7260  941.697   66.518  894.898   37.514 46.79889 76.36753 
1 1 1   13   21    6 o  2336.48   32.055  141.199   3.8341  137.302   5.6458  144.535   5.2233  2306.01   47.620  2366.95   42.923 -60.94214 64.10983 
1 1 1   13   21    8 o  648.912   31.893   10.874   1.0633   10.694   1.5251   11.045   1.4832  643.623   46.088  654.201   44.097 -10.57837 63.78559 
1 1 1   13   21   10 o  562.417   31.145   8.1626   0.9001   7.8136   1.2633   8.5224   1.2828  550.180   44.661  574.655   43.420 -24.47473 62.28916 
1 1 1   13   21   12 o  1252.89   30.117   40.391   1.9351   36.567   2.6648   44.657   2.8146  1190.22   43.548  1315.55   41.614 -125.3342 60.23359 
1 1 1   13   21   14 o  1378.43   29.872   49.041   2.1125   48.979   2.8940   49.112   3.0907  1377.68   40.858  1379.18   43.588 -1.500366 59.74358 
1 1 1   13   21   16 o  430.013   52.716   5.3142   1.0578   6.4227   1.3525   3.5682   1.6974  498.122   52.813  361.903   91.250 136.2190 105.4311 
1 1 1   13   21   18 o  1337.98   56.675   46.419   3.8986   0.0000   0.0000   46.419   3.8986  ?   ?   1337.98   56.675      ?      ? 
1 1 1   13   21   20 o  1097.13   29.505   31.182   1.6578   32.085   2.2674   30.144   2.4301  1114.55   39.569  1079.72   43.777 34.82568 59.00920 
1 1 1   13   21   22 o  1030.56   29.328   27.440   1.5510   27.087   2.1240   27.844   2.2703  1023.62   40.360  1037.51   42.562 -13.88934 58.65518 
1 1 1   13   21   24 o  689.335   29.656   12.354   1.0464   12.959   1.4371   11.671   1.5264  707.668   39.500  671.002   44.246 36.66528 59.31292 
1 1 1   13   21   26 o  486.927   30.182   6.1230   0.7532   5.5041   1.0288   6.8380   1.1058  460.452   43.460  513.403   41.895 -52.95068 60.36477 
1 1 1   13   21   28 o  719.351   36.868   13.093   1.2567   12.448   1.4931   14.661   2.3273  692.070   41.965  746.632   60.629 -54.56213 73.73532 
1 1 1   13   21   30 o  645.604   30.371   10.948   0.9994   12.249   1.3904   9.5566   1.4376  686.307   39.406  604.901   46.225 81.40631 60.74184 
1 1 1   13   21   32 o  504.665   36.158   6.4661   0.9006   7.5360   1.5469   5.9175   1.1077  533.898   56.354  475.432   45.318 58.46616 72.31510 
1 1 1   13   21   34 o  543.953   35.263   7.3838   0.9423   6.4708   1.1470   9.2797   1.6528  496.372   44.946  591.534   54.347 -95.16190 70.52512 
1 1 1   13   21   36 o  233.315   41.315   1.7077   0.5176   2.1437   0.6089   0.5719   0.9828  285.666   41.456  180.965   71.477 104.7013 82.62907 
1 1 1   13   21   38 o  650.323   38.168   11.126   1.1888   10.749   1.4313   11.962   2.1345  637.632   43.661  663.014   62.619 -25.38251 76.33700 
1 1 1   13   21   40 o  728.743   44.639   14.547   1.6701   13.567   2.3049   15.631   2.4234  702.439   63.822  755.047   62.428 -52.60852 89.27740 
1 1 1   13   21   42 o  340.810   43.028   2.9432   0.6736   2.5437   0.7874   4.0328   1.3004  307.361   49.831  374.258   70.162 -66.89722 86.05692 
1 1 1   13   21   44 o  230.188   49.008   1.4753   0.6213   1.1818   0.7993   1.9233   0.9876  205.219   66.404  255.157   72.094 -49.93817 98.01585 
1 1 1   13   21   46 o  265.208   41.843   1.7426   0.4759   1.5069   0.5340   2.6521   1.0489  232.229   46.353  298.188   69.676 -65.95976 83.68629 
1 1 1   13   21   48 o  251.071   42.248   1.6989   0.4546   1.6138   0.5056   2.0579   1.0386  244.634   40.198  257.508   74.322 -12.87407 84.49648 
1 1 1   13   21   50 o  379.743   44.954   4.2881   0.6811   4.2989   0.7671   4.2479   1.4806  398.956   37.401  360.531   81.759 38.42548 89.90720 
1 1 1   13   21   52 o  132.280   33.818   0.4638   0.2842   0.5720   0.3156   0.0000   0.6534  142.043   40.959  122.517   53.822 19.52618 67.63529 
1 1 1   13   22    1 o  1541.06   40.511   59.000   2.9304   67.453   5.5485   55.730   3.4509  1612.75   66.918  1469.37   45.681 143.3813 81.02277 
1 1 1   13   22    3 o  1812.45   33.140   85.185   3.0506   82.296   4.6489   87.370   4.0428  1784.68   50.666  1840.23   42.730 -55.54773 66.27954 
1 1 1   13   22    5 o  882.646   30.472   19.997   1.3378   20.517   2.2021   19.692   1.6842  891.290   48.056  874.003   37.480 17.28729 60.94381 
1 1 1   13   22    7 o  1851.37   29.177   88.086   2.7624   85.338   3.6957   91.564   4.1584  1819.05   39.516  1883.69   42.938 -64.63867 58.35424 
1 1 1   13   22    9 o  539.151   32.062   7.5028   0.8857   8.3647   1.2723   6.6925   1.2337  569.278   43.472  509.023   47.140 60.25446 64.12462 
1 1 1   13   22   11 o  864.325   30.700   19.278   1.3639   18.969   1.9028   19.604   1.9559  857.220   43.175  871.430   43.656 -14.21033 61.39955 
1 1 1   13   22   13 o  704.078   30.354   12.794   1.0978   12.673   1.5181   12.927   1.5895  700.639   42.143  707.517   43.697 -6.877686 60.70787 
1 1 1   13   22   15 o  2476.43   35.146  156.994   4.3552  165.676   7.1017  151.761   5.5138  2529.14   54.616  2423.73   44.248 105.4050 70.29101 
1 1 1   13   22   17 o  1356.19   58.244   47.727   4.0611   47.727   4.0611   0.0000   0.0000  1356.19   58.244  ?   ?       ?      ? 
1 1 1   13   22   19 o  731.464   29.831   13.818   1.1178   13.702   1.5146   13.958   1.6565  728.236   40.454  734.692   43.853 -6.455811 59.66290 
1 1 1   13   22   21 o  803.107   39.274   16.768   1.4332   16.778   1.6742   16.742   2.7723  805.565   40.425  800.649   67.348 4.915405 78.54897 
1 1 1   13   22   23 o  1539.42   29.469   61.528   2.3242   63.585   3.1910   59.202   3.3921  1567.46   39.597  1511.39   43.654 56.07690 58.93721 
1 1 1   13   22   25 f  507.315   30.013   6.6744   0.7821   6.5899   1.0807   6.7674   1.1333  504.025   41.705  510.604   43.170 -6.579742 60.02502 
1 1 1   13   22   27 o  511.809   30.155   6.8241   0.7907   7.0041   1.0826   6.6184   1.1576  519.330   40.546  504.288   44.647 15.04257 60.31079 
1 1 1   13   22   29 o  424.561   37.305   4.7184   0.7848   4.7685   1.2974   4.6895   0.9855  425.199   59.347  423.923   45.219 1.275940 74.61062 
1 1 1   13   22   31 o  394.249   43.330   4.4543   0.7727   3.4804   1.3307   4.9498   0.9492  353.121   75.577  435.376   42.404 -82.25491 86.66044 
1 1 1   13   22   33 o  267.581   36.831   1.7786   0.4826   1.3666   0.5946   2.5738   0.8261  223.040   52.687  312.121   51.480 -89.08086 73.66232 
1 1 1   13   22   35 o  265.576   34.754   1.9051   0.4631   2.0424   0.6440   1.7581   0.6664  278.390   44.997  252.762   52.977 25.62753 69.50803 
1 1 1   13   22   37 o  861.103   36.620   18.667   1.5252   16.663   1.8284   23.252   2.7657  793.582   44.814  928.625   57.928 -135.0432 73.23940 
1 1 1   13   22   39 o  451.277   45.891   5.5794   1.0596   4.8799   1.4531   6.3737   1.5485  420.089   67.282  482.466   62.428 -62.37744 91.78289 
1 1 1   13   22   41 o  302.066   43.233   2.2816   0.5974   1.8586   0.6983   3.4361   1.1537  257.539   54.445  346.594   67.172 -89.05542 86.46585 
1 1 1   13   22   43 o  518.171   40.221   7.1225   0.9871   6.7393   1.1738   8.0479   1.8242  501.139   45.560  535.203   66.295 -34.06470 80.44114 
1 1 1   13   22   45 o  442.773   46.366   5.3070   1.0555   5.3070   1.0555   0.0000   0.0000  442.773   46.366  ?   ?       ?      ? 
1 1 1   13   22   47 o  285.763   45.223   2.2968   0.5991   2.1199   0.7076   2.7446   1.1259  272.807   52.355  298.720   73.751 -25.91278 90.44509 
1 1 1   13   22   49 o  452.479   49.173   6.5016   0.9546   6.9932   1.1357   5.3182   1.7620  505.109   43.732  399.849   88.088 105.2602 98.34654 
1 1 1   13   22   51 o  234.276   42.600   1.4149   0.4214   1.2486   0.4639   2.1989   1.0073  208.548   44.616  260.004   72.583 -51.45561 85.19901 
1 1 1   13   23    0 o  699.577   51.342   13.411   1.7163   14.806   2.2369   11.415   2.6760  750.779   58.780  648.375   84.196 -0.000000 0.000000 
1 1 1   13   23    2 o  1618.22   29.912   67.979   2.4662   71.174   3.3217   64.055   3.6814  1661.32   38.890  1575.12   45.460 86.19409 59.82494 
1 1 1   13   23    4 o  458.398   27.995   5.3725   0.6517   6.6737   0.9685   4.2956   0.8811  508.780   37.025  408.016   42.001 100.7641 55.99087 
1 1 1   13   23    6 o  1970.92   32.539  100.266   3.2822  100.825   4.8858   99.807   4.4309  1975.50   48.105  1966.33   43.829 9.165405 65.07757 
1 1 1   13   23    8 o  1504.70   41.328   60.671   2.8921   53.746   5.2184   63.741   3.4745  1437.98   70.586  1571.43   43.006 -133.4470 82.65533 
1 1 1   13   23   10 o  1696.94   31.183   74.367   2.7188   77.922   3.8642   70.881   3.8260  1737.25   43.264  1656.63   44.921 80.62549 62.36678 
1 1 1   13   23   12 o  1271.26   36.265   41.282   2.2853   43.794   3.8206   39.882   2.8518  1300.01   57.163  1242.52   44.642 57.49219 72.52937 
1 1 1   13   23   14 o  358.581   43.765   3.4347   0.7789   2.9211   1.1292   3.9010   1.0759  329.071   68.949  388.090   53.923 -59.01892 87.53046 
1 1 1   13   23   16 o  760.851   59.140   15.032   2.3134   15.032   2.3134   0.0000   0.0000  760.851   59.140  ?   ?       ?      ? 
1 1 1   13   23   18 o  633.820   30.038   10.352   0.9765   9.9248   1.3269   10.856   1.4423  619.674   41.649  647.966   43.295 -28.29163 60.07570 
1 1 1   13   23   20 o  718.350   30.055   13.309   1.1070   12.804   1.5011   13.912   1.6390  703.557   41.500  733.143   43.484 -29.58588 60.10910 
1 1 1   13   23   22 o  482.861   32.311   6.2586   0.7729   7.6909   1.0550   4.5989   1.1356  545.290   37.631  420.433   52.536 124.8570 64.62274 
1 1 1   13   23   24 o  791.768   30.050   16.349   1.2165   17.336   1.6701   15.233   1.7756  817.826   39.719  765.710   45.103 52.11615 60.09922 
1 1 1   13   23   26 o  442.264   31.271   5.1613   0.7005   5.9095   0.9651   4.3285   1.0183  477.169   39.339  407.359   48.620 69.81012 62.54141 
1 1 1   13   23   28 o  678.305   44.687   11.936   1.5227   8.8144   2.0190   16.055   2.3188  575.826   68.197  780.783   57.765 -204.9565 89.37334 
1 1 1   13   23   30 f  611.925   38.167   10.148   1.1273   8.9891   1.8961   10.781   1.4020  581.256   63.450  642.594   42.437 -61.33765 76.33349 
1 1 1   13   23   32 o  1154.57   35.155   34.118   1.9809   32.040   2.4138   38.405   3.4668  1106.19   42.442  1202.95   56.055 -96.76782 70.31002 
1 1 1   13   23   34 o  309.422   32.868   2.5224   0.5224   2.3894   0.7248   2.6663   0.7538  300.881   46.852  317.963   46.110 -17.08212 65.73635 
1 1 1   13   23   36 o  386.991   32.045   3.9653   0.6361   3.6418   0.8945   4.2965   0.9048  370.602   46.946  403.379   43.631 -32.77661 64.09027 
1 1 1   13   23   38 o  458.407   37.353   5.2797   0.8330   4.5852   1.0020   6.8341   1.4990  414.898   46.973  501.915   58.090 -87.01682 74.70501 
1 1 1   13   23   40 o  264.342   45.290   2.0116   0.5662   2.0515   0.6669   1.9086   1.0713  272.775   49.375  255.909   75.939 16.86526 90.57935 
1 1 1   13   23   42 o  233.577   44.109   1.3165   0.4938   0.9896   0.5720   2.2720   0.9780  188.197   55.399  278.958   68.654 -90.76041 88.21827 
1 1 1   13   23   44 f  291.616   46.262   2.2977   0.6936   2.2977   0.6936   0.0000   0.0000  291.616   46.262  ?   ?       ?      ? 
1 1 1   13   23   46 o  279.078   41.281   1.7829   0.5588   1.0379   0.6544   3.7875   1.0735  190.614   59.910  367.543   56.808 -176.9286 82.56142 
1 1 1   13   23   48 o  134.884   39.700   0.2660   0.4099   0.3429   0.4653   0.0000   0.8658  128.762   49.663  141.006   61.950 -12.24460 79.39972 
1 1 1   13   23   50 o  194.656   39.703   1.1087   0.3793   1.1114   0.4316   1.0999   0.7948  197.181   43.723  192.131   66.284 5.050629 79.40531 
1 1 1   13   24    1 o  1198.43   32.804   37.084   2.0199   37.417   2.9146   36.778   2.8020  1203.51   47.105  1193.36   45.669 10.14636 65.60874 
1 1 1   13   24    3 o  834.598   29.978   17.848   1.2808   15.791   1.7359   20.305   1.8974  782.141   43.170  887.054   41.605 -104.9126 59.95515 
1 1 1   13   24    5 o  1200.29   27.608   37.200   1.6976   36.713   2.5001   37.617   2.3125  1192.80   40.767  1207.79   37.241 -14.98315 55.21646 
1 1 1   13   24    7 o  443.938   30.671   5.1286   0.6939   5.4956   0.9438   4.6970   1.0236  461.513   39.778  426.364   46.697 35.14868 61.34286 
1 1 1   13   24    9 o  1281.10   39.518   43.022   2.4094   41.139   4.2670   43.904   2.9193  1258.36   65.956  1303.85   43.550 -45.48230 79.03612 
1 1 1   13   24   11 o  938.889   41.324   22.762   1.9870   23.898   2.9694   21.840   2.6738  959.782   60.176  917.997   56.653 41.78461 82.64786 
1 1 1   13   24   13 o  1097.10   34.780   30.782   1.9024   29.719   2.3938   32.605   3.1343  1072.47   43.414  1121.73   54.349 -49.25769 69.55981 
1 1 1   13   24   15 o  1373.63   45.804   48.133   3.2004   42.322   4.1747   56.417   4.9844  1275.37   63.667  1471.89   65.868 -196.5190 91.60818 
1 1 1   13   24   17 o  287.299   34.190   2.1548   0.4850   1.6162   0.6547   2.8096   0.7220  244.952   53.489  329.645   42.599 -84.69246 68.37977 
1 1 1   13   24   19 f  540.154   30.703   7.5492   0.8503   7.4960   1.1585   7.6113   1.2519  538.227   41.868  542.081   44.920 -3.853699 61.40570 
1 1 1   13   24   21 o  1086.73   29.887   30.497   1.6656   29.209   2.2598   32.029   2.4644  1061.88   41.394  1111.58   43.122 -49.70691 59.77405 
1 1 1   13   24   23 o  1310.77   29.763   44.517   2.0012   43.632   2.7283   45.549   2.9442  1297.02   40.915  1324.52   43.236 -27.50012 59.52615 
1 1 1   13   24   25 o  1433.44   29.751   53.491   2.1862   54.697   3.0011   52.128   3.1912  1451.35   40.220  1415.52   43.850 35.83374 59.50197 
1 1 1   13   24   27 o  1229.02   39.660   40.753   2.2277   42.104   2.6365   37.384   4.1648  1272.23   40.309  1185.80   68.315 86.43262 79.32023 
1 1 1   13   24   29 o  758.630   35.690   14.592   1.3416   17.095   2.2842   13.274   1.6576  804.951   55.194  712.310   45.264 92.64154 71.38084 
1 1 1   13   24   31 o  527.541   37.143   7.3188   0.9485   7.2467   1.1590   7.4650   1.6504  526.041   42.855  529.042   60.678 -3.001465 74.28549 
1 1 1   13   24   33 o  214.147   35.902   1.2540   0.3965   0.8727   0.5474   1.6746   0.5750  180.090   54.479  248.204   46.774 -68.11357 71.80412 
1 1 1   13   24   35 o  411.365   32.118   4.4869   0.6736   3.7900   0.9420   5.2160   0.9635  377.784   48.501  444.947   42.118 -67.16284 64.23631 
1 1 1   13   24   37 o  621.832   31.086   10.236   0.9931   9.7945   1.3768   10.715   1.4340  607.829   44.057  635.835   43.867 -28.00604 62.17171 
1 1 1   13   24   39 o  216.671   39.887   1.2449   0.4462   1.7658   0.7212   0.9219   0.5679  250.236   57.293  183.105   55.509 67.13065 79.77318 
1 1 1   13   24   41 f  753.302   42.152   16.425   1.4559   17.732   1.7584   13.576   2.5966  816.200   41.903  690.404   73.152 125.7960 84.30336 
1 1 1   13   24   43 o  204.482   65.123   1.1848   0.7711   1.1848   0.7711   0.0000   0.0000  204.482   65.123  ?   ?       ?      ? 
1 1 1   13   24   45 o  173.235   40.844   0.6161   0.4056   0.3230   0.4765   1.3872   0.7728  129.114   50.128  217.356   64.499 -88.24158 81.68777 
1 1 1   13   24   47 o  159.289   38.805   0.6990   0.4114   0.9579   0.4816   0.0000   0.7912  182.718   49.871  135.860   59.466 46.85826 77.61017 
1 1 1   13   24   49 o  116.806   35.697   0.0468   0.2705   0.0000   0.2896   0.3679   0.7583   84.987   36.594  148.624   61.302 -63.63795 71.39413 
1 1 1   13   25    0 o  170.860   77.670   1.0958   0.7385   0.0000   0.0000   1.0958   0.7385  170.860   77.670  170.860   77.670 0.000000 0.000000 
1 1 1   13   25    2 o  1086.71   44.751   31.054   2.4546   28.154   3.7422   33.243   3.2517  1040.46   69.958  1132.97   55.825 -92.50806 89.50188 
1 1 1   13   25    4 f  1957.52   33.587   99.530   3.3414   95.592   5.0705  102.553   4.4425  1922.24   51.306  1992.81   43.360 -70.57312 67.17460 
1 1 1   13   25    6 o  1048.38   33.835   28.591   1.8002   27.214   2.7385   29.638   2.3888  1025.49   51.941  1071.26   43.373 -45.76599 67.66946 
1 1 1   13   25    8 o  638.743   37.224   10.564   1.2156   10.581   1.6362   10.543   1.8162  639.553   49.762  637.932   55.374 1.620544 74.44831 
1 1 1   13   25   10 o  1678.98   35.867   72.913   3.0440   72.689   3.9567   73.238   4.7649  1676.87   45.895  1681.10   55.131 -4.231201 71.73384 
1 1 1   13   25   12 o  1003.42   35.979   26.351   1.7995   27.278   2.3038   24.899   2.8822  1027.29   43.619  979.546   57.230 47.74347 71.95760 
1 1 1   13   25   14 o  1125.31   41.319   32.262   2.1136   31.560   2.4564   34.264   4.1483  1104.84   43.244  1145.79   70.421 -40.95166 82.63853 
1 1 1   13   25   16 o  1118.09   30.399   32.387   1.7435   33.240   2.4063   31.443   2.5297  1133.89   41.277  1102.29   44.638 31.60657 60.79802 
1 1 1   13   25   18 o  1011.89   30.197   26.434   1.5679   25.345   2.1375   27.703   2.3068  989.502   42.016  1034.27   43.382 -44.77039 60.39323 
1 1 1   13   25   20 o  1773.62   30.008   81.797   2.7235   84.677   3.7181   78.463   4.0008  1808.23   39.994  1739.00   44.748 69.22424 60.01609 
1 1 1   13   25   22 o  581.113   30.684   8.7551   0.9145   8.5676   1.2445   8.9752   1.3482  574.532   42.131  587.694   44.621 -13.16205 61.36805 
1 1 1   13   25   24 o  143.506   33.099   0.5092   0.2950   0.7177   0.3917   0.2360   0.4485  163.534   45.119  123.478   48.440 40.05583 66.19750 
1 1 1   13   25   26 o  1225.64   37.952   38.082   2.1599   36.376   2.5317   42.645   4.1404  1182.01   41.660  1269.26   63.449 -87.25281 75.90388 
1 1 1   13   25   28 o  213.200   53.015   1.2429   0.5787   0.0000   0.0000   1.2429   0.5787  ?   ?   213.200   53.015      ?      ? 
1 1 1   13   25   30 o  371.822   37.043   3.3147   0.6507   2.1997   0.7953   5.5735   1.1319  283.325   56.579  460.319   47.829 -176.9941 74.08633 
1 1 1   13   25   32 o  589.288   31.062   9.1024   0.9388   8.2694   1.2915   10.036   1.3671  560.520   44.815  618.055   43.025 -57.53540 62.12485 
1 1 1   13   25   34 o  342.275   33.340   3.1348   0.5804   3.4929   0.7999   2.7367   0.8434  364.036   42.738  320.514   51.183 43.52179 66.68029 
1 1 1   13   25   36 o  492.558   31.466   6.4308   0.7932   5.6560   1.1040   7.2577   1.1405  461.183   46.560  523.934   42.340 -62.75049 62.93237 
1 1 1   13   25   38 o  514.844   45.876   7.2806   1.2095   6.4635   1.6468   8.2374   1.7821  482.854   66.336  546.834   63.386 -63.98022 91.75154 
1 1 1   13   25   40 o  511.618   31.848   7.0060   0.8348   7.0891   1.1388   6.9095   1.2273  515.801   42.942  507.435   47.043 8.366028 63.69532 
1 1 1   13   25   42 o  433.984   62.272   5.2665   1.3894   5.2665   1.3894   0.0000   0.0000  433.984   62.272  ?   ?       ?      ? 
1 1 1   13   25   44 o  223.335   45.678   1.4580   0.5282   1.4776   0.6304   1.4119   0.9677  226.784   54.700  219.887   73.169 6.896500 91.35589 
1 1 1   13   25   46 o  192.324   39.826   1.1892   0.4751   1.5964   0.5504   0.0000   0.9406  237.823   46.685  146.826   64.538 90.99760 79.65283 
1 1 1   13   25   48 o  269.987   51.441   2.3464   0.7442   2.7876   1.0234   1.8512   1.0842  300.350   67.874  239.623   77.317 60.72731 102.8822 
1 1 1   13   25   50 o  158.814   40.148   0.7101   0.3997   0.8132   0.4580   0.3811   0.8183  166.763   49.693  150.865   63.072 15.89738 80.29639 
1 1 1   13   26    1 o  355.176   47.362   3.3707   0.8404   3.0134   1.2345   3.6794   1.1474  333.696   73.905  376.655   59.250 -42.95981 94.72384 
1 1 1   13   26    3 f  510.656   38.731   6.7921   1.0064   7.0481   1.3460   6.4675   1.5155  521.945   50.159  499.367   59.028 22.57709 77.46152 
1 1 1   13   26    5 o  1000.09   37.587   25.989   1.9221   26.900   2.6145   24.918   2.8354  1019.66   49.873  980.517   56.246 39.14612 75.17307 
1 1 1   13   26    7 o  904.455   34.266   21.116   1.5226   21.004   1.8905   21.321   2.5686  901.904   40.771  907.006   55.084 -5.102295 68.53127 
1 1 1   13   26    9 o  533.967   37.035   7.3410   1.0116   6.9550   1.3516   7.8326   1.5253  518.236   50.729  549.698   53.972 -31.46179 74.07010 
1 1 1   13   26   11 o  1194.97   31.822   36.956   1.9534   36.258   2.8036   37.615   2.7233  1183.81   46.064  1206.12   43.918 -22.30872 63.64463 
1 1 1   13   26   13 o  266.655   46.856   2.0416   0.5984   2.2599   0.6868   1.3536   1.2191  295.543   45.202  237.767   82.090 57.77536 93.71251 
1 1 1   13   26   15 o  1395.55   38.357   51.589   2.5925   47.497   4.3921   53.778   3.2118  1349.59   63.300  1441.51   43.337 -91.92102 76.71347 
1 1 1   13   26   17 o  1039.99   30.726   28.120   1.6367   29.632   2.2616   26.457   2.3718  1069.87   41.116  1010.11   45.670 59.76520 61.45134 
1 1 1   13   26   19 o  1395.98   30.154   50.527   2.1599   50.364   2.9608   50.712   3.1578  1393.96   41.314  1398.01   43.935 -4.056641 60.30833 
1 1 1   13   26   21 f  471.263   31.452   5.7130   0.7564   4.8389   1.0186   6.7880   1.1296  431.310   45.934  511.216   42.977 -79.90518 62.90442 
1 1 1   13   26   23 f  860.275   30.920   19.544   1.3469   22.022   1.8389   16.676   1.9782  921.089   38.832  799.461   48.127 121.6273 61.84005 
1 1 1   13   26   25 o  1003.90   30.205   26.246   1.5548   26.061   2.1192   26.462   2.2881  1000.53   41.198  1007.25   44.183 -6.718933 60.41035 
1 1 1   13   26   27 o  487.373   46.005   6.2186   1.1528   0.0000   0.0000   6.2186   1.1528  ?   ?   487.373   46.005      ?      ? 
1 1 1   13   26   29 o  685.701   35.897   12.287   1.2031   12.033   1.4810   12.781   2.0632  677.981   42.487  693.422   57.872 -15.44165 71.79329 
1 1 1   13   26   31 o  354.490   43.983   3.5727   0.7301   2.9937   1.2267   3.8903   0.9085  324.743   74.989  384.235   45.988 -59.49191 87.96697 
1 1 1   13   26   33 o  440.891   32.122   5.1585   0.7250   5.5549   1.0102   4.7374   1.0412  459.112   42.797  422.669   47.912 36.44284 64.24310 
1 1 1   13   26   35 o  342.208   33.753   3.1061   0.5920   2.7821   0.8122   3.4732   0.8645  322.949   48.919  361.467   46.520 -38.51840 67.50661 
1 1 1   13   26   37 o  172.025   41.764   0.5580   0.4869   0.0000   0.6370   1.3420   0.7552  126.004   54.265  218.045   63.500 -92.04115 83.52832 
1 1 1   13   26   39 o  259.779   35.806   1.8267   0.4659   1.2911   0.6249   2.4971   0.6990  213.732   56.140  305.825   44.458 -92.09323 71.61130 
1 1 1   13   26   41 o  424.087   47.907   5.2026   0.9889   6.6603   1.4116   3.7974   1.3859  492.318   55.769  355.856   77.911 136.4612 95.81409 
1 1 1   13   26   43 o  312.335   35.703   2.7445   0.5429   3.5336   0.7735   1.9784   0.7622  362.800   41.470  261.870   58.130 100.9302 71.40652 
1 1 1   13   26   45 o  501.424   46.351   7.7425   1.0120   8.4172   1.2183   6.2405   1.8178  557.191   42.528  445.656   82.371 111.5352 92.70168 
1 1 1   13   26   47 o  268.402   54.369   2.2287   0.7861   1.7234   1.0143   2.9889   1.2440  233.544   74.722  303.261   78.997 -69.71689 108.7379 
1 1 1   13   26   49 o  165.259   42.419   0.7111   0.4021   0.6972   0.4482   0.7681   0.9096  156.164   49.642  174.354   68.797 -18.18980 84.83702 
1 1 1   13   27    0 o  398.088   66.349   5.0706   1.1343   6.1392   1.4824   3.5610   1.7619  475.074   63.952  321.102  116.271 -0.000000 0.000000 
1 1 1   13   27    2 o  2483.54   30.442  159.101   3.8574  157.195   5.1331  161.574   5.8466  2467.22   40.467  2499.85   45.490 -32.63403 60.88443 
1 1 1   13   27    4 o  709.218   30.779   13.016   1.1176   13.185   1.5183   12.816   1.6510  714.430   41.337  704.005   45.614 10.42456 61.55812 
1 1 1   13   27    6 o  2028.63   27.711  105.912   2.8828  111.114   4.2657  101.540   3.9110  2074.13   40.002  1983.14   38.359 90.99280 55.42183 
1 1 1   13   27    8 o  649.922   30.660   10.820   1.0173   9.1896   1.3739   12.800   1.5137  596.071   44.830  703.773   41.836 -107.7014 61.31913 
1 1 1   13   27   10 o  764.615   32.584   15.079   1.2785   16.360   1.8666   13.948   1.7548  795.138   45.660  734.091   46.496 61.04608 65.16727 
1 1 1   13   27   12 o  557.218   47.994   8.6334   1.1861   9.2552   1.3968   7.0267   2.2454  597.913   45.440  516.523   84.552 81.39063 95.98887 
1 1 1   13   27   14 o  634.892   37.619   9.9671   1.1798   12.326   2.0386   8.7789   1.4467  688.036   57.631  581.747   48.369 106.2896 75.23827 
1 1 1   13   27   16 o  891.384   31.068   20.580   1.4229   20.014   1.9713   21.195   2.0561  878.658   43.638  904.110   44.233 -25.45190 62.13541 
1 1 1   13   27   18 o  745.399   31.148   14.410   1.1928   14.069   1.6494   14.784   1.7271  736.243   43.575  754.555   44.519 -18.31177 62.29539 
1 1 1   13   27   20 o  948.918   30.477   23.290   1.4830   21.193   2.0259   25.711   2.1767  902.978   43.638  994.858   42.557 -91.87958 60.95444 
1 1 1   13   27   22 o  1696.58   30.154   74.771   2.6227   73.415   3.5624   76.376   3.8753  1680.47   41.233  1712.69   44.011 -32.22327 60.30822 
1 1 1   13   27   24 o  534.772   31.543   7.4732   0.8642   7.5941   1.1796   7.3331   1.2696  539.817   42.502  529.727   46.619 10.09058 63.08546 
1 1 1   13   27   26 o  1104.13   69.351   32.668   3.9368   0.0000   0.0000   32.668   3.9368  ?   ?   1104.13   69.351      ?      ? 
1 1 1   13   27   28 o  587.601   35.516   8.4539   1.0225   7.0977   1.2376   11.370   1.8149  519.788   46.313  655.415   53.859 -135.6274 71.03298 
1 1 1   13   27   30 o  755.715   30.991   15.035   1.2008   15.309   1.6477   14.725   1.7535  763.768   41.961  747.662   45.618 16.10645 61.98171 
1 1 1   13   27   32 o  190.186   36.571   0.9920   0.3682   1.1216   0.5302   0.8712   0.5118  201.492   51.102  178.881   52.328 22.61157 73.14108 
1 1 1   13   27   34 o  635.845   31.167   10.744   1.0152   11.450   1.4130   9.9905   1.4596  658.477   41.739  613.213   46.298 45.26428 62.33498 
1 1 1   13   27   36 o  943.848   41.353   24.788   1.8040   25.575   2.1548   22.942   3.2989  981.921   42.683  905.776   70.841 76.14520 82.70605 
1 1 1   13   27   38 o  707.272   31.897   13.441   1.1470   15.718   1.6265   11.189   1.6177  769.474   41.115  645.070   48.777 124.4045 63.79351 
1 1 1   13   27   40 o  337.282   49.179   3.3163   0.8389   2.5814   1.1892   4.0442   1.1835  292.777   77.710  381.786   60.296 -89.00977 98.35876 
1 1 1   13   27   42 o  419.516   33.025   4.7192   0.6986   3.5892   0.9401   6.1128   1.0440  362.189   50.488  476.843   42.586 -114.6545 66.05010 
1 1 1   13   27   44 o  389.248   34.532   4.2416   0.6733   5.1370   0.9370   3.2857   0.9682  435.928   41.807  342.568   54.972 93.35983 69.06339 
1 1 1   13   27   46 f  518.650   44.826   7.9447   1.0609   8.0706   1.2581   7.6350   1.9738  541.455   45.194  495.846   77.427 45.60947 89.65134 
1 1 1   13   27   48 f  459.038   56.582   7.9942   1.0999   9.6342   1.3218   4.3014   1.9834  589.433   43.617  328.642  104.421 260.7904 113.1644 
1 1 1   13   28    1 o  1227.69   33.846   38.944   2.1338   41.649   3.0874   36.470   2.9525  1268.53   47.340  1186.85   48.387 81.67603 67.69279 
1 1 1   13   28    3 o  976.023   30.832   24.640   1.5382   24.704   2.0690   24.560   2.3000  977.763   41.158  974.282   45.918 3.481445 61.66413 
1 1 1   13   28    5 o  1455.75   28.176   54.837   2.1003   53.689   3.0946   55.817   2.8598  1441.25   41.763  1470.25   37.834 -29.00635 56.35193 
1 1 1   13   28    7 o  1763.87   28.052   80.507   2.5338   78.903   3.7334   81.876   3.4499  1747.13   41.564  1780.61   37.685 -33.48779 56.10437 
1 1 1   13   28    9 o  1045.39   30.286   28.303   1.6197   28.611   2.1911   27.931   2.4049  1052.02   40.511  1038.75   45.031 13.26697 60.57130 
1 1 1   13   28   11 o  642.321   49.580   11.773   1.4058   12.999   1.6698   8.7896   2.6052  708.293   45.855  576.349   87.920 131.9436 99.15985 
1 1 1   13   28   13 o  368.892   42.140   3.6693   0.7292   3.4205   1.2478   3.7983   0.8986  355.072   70.834  382.712   45.669 -27.63950 84.27993 
1 1 1   13   28   15 o  837.662   31.618   18.199   1.3613   17.660   1.9011   18.766   1.9502  824.921   44.825  850.404   44.605 -25.48248 63.23672 
1 1 1   13   28   17 o  422.829   32.404   4.6391   0.7037   4.4362   0.9703   4.8642   1.0222  413.108   45.687  432.550   45.964 -19.44199 64.80750 
1 1 1   13   28   19 f  1506.86   30.666   58.911   2.3731   56.269   3.2651   61.870   3.4552  1471.20   43.168  1542.52   43.568 -71.32104 61.33231 
1 1 1   13   28   21 o  1120.93   30.620   32.577   1.7607   29.997   2.4062   35.550   2.5832  1073.26   43.608  1168.60   42.996 -95.33423 61.23980 
1 1 1   13   28   23 o  796.435   30.616   16.467   1.2506   15.126   1.7051   18.028   1.8398  761.450   43.555  831.420   43.040 -69.97064 61.23288 
1 1 1   13   28   25 o  391.406   82.631   4.3149   1.6106   0.0000   0.0000   4.3149   1.6106  ?   ?   391.406   82.631      ?      ? 
1 1 1   13   28   27 o  272.021   42.243   2.2892   0.5777   2.9290   0.7148   1.0841   0.9810  334.574   41.554  209.469   73.561 125.1048 84.48695 
1 1 1   13   28   29 o  404.043   32.436   4.2641   0.6683   3.5650   0.9040   5.1064   0.9923  367.408   47.858  440.677   43.796 -73.26886 64.87266 
1 1 1   13   28   31 o  525.556   32.162   7.3758   0.8592   8.3198   1.1894   6.3456   1.2426  562.407   41.133  488.704   49.455 73.70303 64.32484 
1 1 1   13   28   33 o  440.166   32.050   5.1199   0.7233   4.6232   0.9919   5.6839   1.0569  417.178   46.246  463.154   44.385 -45.97604 64.09938 
1 1 1   13   28   35 o  497.691   33.091   6.6682   0.8376   7.5654   1.1666   5.7135   1.2034  534.166   42.480  461.216   50.749 72.95056 66.18153 
1 1 1   13   28   37 o  627.019   39.489   10.762   1.2050   10.526   2.0447   10.888   1.4916  615.748   64.588  638.291   45.452 -22.54205 78.97762 
1 1 1   13   28   39 o  305.146   47.684   2.7064   0.7279   2.8534   1.0510   2.5709   1.0091  313.366   67.251  296.925   67.618 16.44043 95.36704 
1 1 1   13   28   41 o  187.899   37.123   0.9988   0.3752   0.8478   0.5306   1.1498   0.5307  174.509   53.798  201.289   51.167 -26.78040 74.24527 
1 1 1   13   28   43 o  371.759   34.211   3.8057   0.6510   3.9915   0.8962   3.5981   0.9471  382.741   45.545  360.776   51.062 21.96442 68.42268 
1 1 1   13   28   45 o  241.399   39.173   1.7063   0.4751   1.6898   0.6500   1.7253   0.6960  240.855   53.847  241.944   56.910 -1.088699 78.34694 
1 1 1   13   28   47 o  507.596   50.938   8.0071   1.3215   8.0648   1.7885   7.9378   1.9613  514.883   67.563  500.309   76.250 14.57419 101.8764 
1 1 1   13   29    0 o  916.333   50.297   22.377   2.2987   20.615   3.4795   23.742   3.0621  880.962   78.243  951.705   63.222 0.000000 0.000000 
1 1 1   13   29    2 o  511.321   31.627   6.7579   0.8242   6.7039   1.0937   6.8288   1.2537  509.178   41.779  513.464   47.493 -4.286377 63.25428 
1 1 1   13   29    4 o  383.667   32.475   3.7710   0.6356   3.1743   0.8553   4.5068   0.9498  350.037   47.525  417.297   44.271 -67.25925 64.95027 
1 1 1   13   29    6 o  1334.57   28.178   46.003   1.9269   46.603   2.8530   45.500   2.6128  1342.27   41.342  1326.88   38.301 15.38623 56.35695 
1 1 1   13   29    8 o  1484.06   30.485   57.182   2.3146   58.825   3.1494   55.252   3.4131  1507.91   40.624  1460.22   45.464 47.69556 60.96929 
1 1 1   13   29   10 f  425.885   52.383   5.1668   0.9879   5.5914   1.1773   4.1563   1.8163  464.011   49.348  387.759   92.416 76.25217 104.7659 
1 1 1   13   29   12 o  826.161   40.404   18.061   1.5939   17.110   2.7954   18.519   1.9402  807.433   67.340  844.890   44.666 -37.45679 80.80701 
1 1 1   13   29   14 f  214.215   37.353   1.2385   0.4100   1.4174   0.5924   1.0739   0.5681  228.834   51.586  199.596   54.036 29.23764 74.70615 
1 1 1   13   29   16 o  991.570   31.491   25.534   1.6024   23.452   2.2296   27.760   2.3046  949.503   45.673  1033.64   43.367 -84.13354 62.98157 
1 1 1   13   29   18 o  828.078   31.618   17.838   1.3404   15.718   1.8622   20.117   1.9310  776.602   46.639  879.553   42.702 -102.9509 63.23535 
1 1 1   13   29   20 o  552.859   31.967   8.0043   0.9047   8.5264   1.2527   7.4350   1.3081  572.231   42.580  533.488   47.692 38.74304 63.93398 
1 1 1   13   29   22 o  286.722   35.447   2.2037   0.5012   1.6019   0.6918   2.8683   0.7270  241.837   56.637  331.607   42.641 -89.77010 70.89434 
1 1 1   13   29   24 o  532.979   61.332   7.5554   1.6806   7.5554   1.6806   0.0000   0.0000  532.979   61.332  ?   ?       ?      ? 
1 1 1   13   29   26 o  406.728   39.651   4.4514   0.7965   4.1664   1.2972   4.6238   1.0091  394.160   64.011  419.295   46.812 -25.13501 79.30154 
1 1 1   13   29   28 o  507.453   32.062   6.7927   0.8341   6.9146   1.1444   6.6544   1.2184  512.835   43.403  502.072   47.202 10.76349 64.12404 
1 1 1   13   29   30 o  384.828   33.327   3.9342   0.6574   4.1282   0.9115   3.7238   0.9490  395.285   44.851  374.372   49.306 20.91272 66.65359 
1 1 1   13   29   32 o  1022.02   30.884   27.567   1.6202   26.128   2.2164   29.219   2.3743  993.652   43.386  1050.39   43.966 -56.73364 61.76831 
1 1 1   13   29   34 o  1313.53   30.773   45.724   2.0761   43.785   2.8586   47.888   3.0200  1284.34   43.292  1342.72   43.747 -58.38245 61.54660 
1 1 1   13   29   36 o  220.894   48.268   1.3306   0.6177   0.8990   0.8341   1.8549   0.9193  188.827   67.673  252.960   68.845 -64.13266 96.53629 
1 1 1   13   29   38 f  310.901   41.757   2.6758   0.6306   2.8447   1.0469   2.5797   0.7901  313.088   67.056  308.714   49.781 4.373993 83.51433 
1 1 1   13   29   40 f  424.152   34.184   4.9581   0.7292   5.9989   1.0222   3.8799   1.0404  472.943   42.041  375.361   53.914 97.58231 68.36778 
1 1 1   13   29   42 o  161.391   33.618   0.7132   0.3347   1.1268   0.4497   0.2000   0.5010  200.149   44.820  122.634   50.118 77.51576 67.23598 
1 1 1   13   29   44 o  247.641   36.069   1.7226   0.4541   1.1068   0.6125   2.4744   0.6768  194.445   57.349  300.838   43.759 -106.3931 72.13726 
1 1 1   13   29   46 o  388.009   55.730   4.8575   1.0726   4.1865   1.4595   5.6454   1.5815  355.232   81.627  420.784   75.896 -65.55219 111.4592 
1 1 1   13   30    1 o  821.617   34.650   17.592   1.4572   16.153   2.0976   18.935   2.0258  788.547   51.740  854.687   46.103 -66.14014 69.29986 
1 1 1   13   30    3 o  573.308   31.615   8.4943   0.9271   8.3037   1.2435   8.7328   1.3910  566.286   42.712  580.330   46.622 -14.04425 63.22928 
1 1 1   13   30    5 o  1144.24   28.499   33.857   1.6719   34.237   2.4637   33.533   2.2763  1149.92   41.673  1138.57   38.887 11.35327 56.99855 
1 1 1   13   30    7 o  167.224   37.750   0.7041   0.3572   0.6832   0.4492   0.7399   0.5891  161.920   49.429  172.528   57.071 -10.60817 75.50072 
1 1 1   13   30    9 f  522.338   47.898   7.0820   1.1730   6.9652   1.3930   7.3668   2.1750  517.223   52.385  527.453   80.205 -10.22998 95.79668 
1 1 1   13   30   11 o  2054.91   32.775  109.678   3.4559  110.529   5.0548  108.932   4.7357  2061.74   47.687  2048.08   44.974 13.65845 65.54942 
1 1 1   13   30   13 o  816.696   33.324   17.501   1.3865   15.208   1.9953   19.642   1.9282  763.731   50.815  869.662   43.125 -105.9308 66.64769 
1 1 1   13   30   15 o  213.251   36.855   1.2392   0.4009   1.1410   0.5833   1.3271   0.5520  205.211   54.405  221.292   49.731 -16.08192 73.70932 
1 1 1   13   30   17 o  434.161   32.382   4.9149   0.7225   4.9604   1.0097   4.8670   1.0342  436.327   45.011  431.996   46.565 4.330200 64.76332 
1 1 1   13   30   19 f  510.982   32.582   6.8203   0.8470   5.5894   1.1720   8.1661   1.2255  462.118   49.331  559.845   42.576 -97.72708 65.16300 
1 1 1   13   30   21 o  453.216   40.516   5.3214   0.8943   5.7535   1.5586   5.1094   1.0919  464.872   65.213  441.560   48.098 23.31113 81.03204 
1 1 1   13   30   23 o  278.786   74.675   2.1766   1.0918   2.1766   1.0918   0.0000   0.0000  278.786   74.675  ?   ?       ?      ? 
1 1 1   13   30   25 o  402.755   42.915   4.6118   0.8041   3.6709   1.3189   5.1684   1.0144  361.829   73.411  443.682   44.471 -81.85263 85.83002 
1 1 1   13   30   27 o  458.195   33.193   5.6061   0.7719   6.1299   1.0471   4.9827   1.1424  483.075   42.161  433.316   51.280 49.75906 66.38696 
1 1 1   13   30   29 o  282.101   36.995   2.1785   0.5211   2.4360   0.7204   1.8957   0.7548  303.352   46.190  260.850   57.802 42.50253 73.99033 
1 1 1   13   30   31 o  653.260   31.712   11.244   1.0615   10.178   1.4394   12.516   1.5717  619.353   45.205  687.167   44.487 -67.81433 63.42410 
1 1 1   13   30   33 o  588.149   32.761   9.3150   0.9793   10.532   1.3578   7.9953   1.4137  630.534   41.886  545.765   50.384 84.76929 65.52150 
1 1 1   13   30   35 o  574.336   47.160   9.0053   1.3721   7.1788   1.8135   11.451   2.0984  505.500   69.779  643.172   63.459 -137.6715 94.31989 
1 1 1   13   30   37 o  560.794   41.675   8.9087   1.1211   7.9312   1.8966   9.4337   1.3900  528.767   69.767  592.822   45.604 -64.05505 83.34967 
1 1 1   13   30   39 o  372.863   38.672   4.0440   0.6703   5.6756   0.9435   2.3810   0.9525  461.095   39.798  284.631   66.320 176.4645 77.34458 
1 1 1   13   30   41 o  192.930   36.038   0.9754   0.3883   0.4565   0.5096   1.6942   0.5997  141.082   52.520  244.777   49.361 -103.6950 72.07564 
1 1 1   13   30   43 o  665.604   32.922   12.173   1.1255   11.660   1.5513   12.743   1.6356  651.031   46.346  680.178   46.771 -29.14758 65.84446 
1 1 1   13   30   45 o  447.401   43.142   5.4826   0.9100   4.9131   1.0706   6.9653   1.7274  417.707   49.852  477.095   70.424 -59.38776 86.28323 
1 1 1   13   30   47 o  569.080   34.044   9.2389   0.9912   10.011   1.3860   8.4306   1.4180  596.774   45.172  541.385   50.947 55.38947 68.08888 
1 1 1   13   31    0 o  867.918   50.288   19.664   2.1909   17.058   2.9027   23.114   3.3398  800.570   71.854  935.266   70.374 -0.000000 0.000000 
1 1 1   13   31    2 o  776.398   42.736   14.345   1.6120   11.701   1.9308   20.427   2.9287  669.822   56.067  882.974   64.514 -213.1523 85.47221 
1 1 1   13   31    4 o  1901.12   31.083   93.516   3.0256   91.203   4.0761   96.354   4.5151  1875.66   42.269  1926.57   45.584 -50.91333 62.16541 
1 1 1   13   31    6 o  1417.26   33.967   52.175   2.4097   52.013   3.0743   52.432   3.8806  1416.23   42.223  1418.29   53.219 -2.058105 67.93372 
1 1 1   13   31    8 o  342.699   42.187   3.1778   0.7142   3.5770   0.9690   2.7029   1.0567  370.544   50.864  314.854   67.319 55.69034 84.37377 
1 1 1   13   31   10 o  1284.81   30.477   42.636   2.0063   40.129   2.7039   45.708   2.9926  1243.25   42.302  1326.37   43.885 -83.11548 60.95337 
1 1 1   13   31   12 o  288.036   38.887   2.2332   0.5541   2.3726   0.8118   2.1118   0.7580  296.559   55.280  279.513   54.708 17.04620 77.77401 
1 1 1   13   31   14 o  504.103   40.183   6.6258   0.9838   6.8027   1.7046   6.5374   1.2047  507.454   65.337  500.753   46.793 6.701660 80.36526 
1 1 1   13   31   16 o  1144.15   32.319   34.204   1.8950   37.506   2.6892   30.949   2.6706  1199.83   43.595  1088.47   47.723 111.3534 64.63770 
1 1 1   13   31   18 o  577.117   32.554   8.7048   0.9650   8.7130   1.3360   8.6958   1.3953  577.615   44.989  576.619   47.065 0.9955444 65.10876 
1 1 1   13   31   20 o  257.893   43.531   1.6500   0.5424   2.4768   0.9766   1.2812   0.6522  299.463   65.273  216.323   57.612 83.13980 87.06192 
1 1 1   13   31   22 o  913.124   43.224   21.828   2.0292   21.828   2.0292   0.0000   0.0000  913.124   43.224  ?   ?       ?      ? 
1 1 1   13   31   24 o  548.131   38.046   7.8476   1.0432   8.5076   1.7098   7.4561   1.3166  564.505   58.913  531.756   48.159 32.74963 76.09222 
1 1 1   13   31   26 o  1213.95   31.238   38.877   1.9426   39.687   2.6551   37.943   2.8497  1228.97   42.022  1198.93   46.232 30.04077 62.47569 
1 1 1   13   31   28 o  412.383   33.475   4.4977   0.6975   3.4699   0.9536   5.6803   1.0229  360.699   51.422  464.067   42.873 -103.3680 66.95016 
1 1 1   13   31   30 f  480.628   38.908   6.1514   0.9354   6.5383   1.5259   5.9184   1.1839  490.276   60.537  470.979   48.894 19.29770 77.81585 
1 1 1   13   31   32 o  1121.06   31.443   33.421   1.8085   33.366   2.4790   33.483   2.6441  1121.30   43.002  1120.82   45.885 0.4779053 62.88549 
1 1 1   13   31   34 o  161.828   40.713   0.6522   0.4426   0.9016   0.5204   0.0000   0.8416  180.461   52.763  143.195   62.018 37.26549 81.42581 
1 1 1   13   31   36 o  557.510   38.793   8.2779   1.0708   9.3430   1.8122   7.7064   1.3274  580.575   60.712  534.444   48.308 46.13074 77.58617 
1 1 1   13   31   38 o  582.659   33.622   9.3044   0.9934   10.630   1.3770   7.8657   1.4346  629.431   42.550  535.888   52.070 93.54333 67.24480 
1 1 1   13   31   40 o  306.622   35.359   2.6188   0.5422   2.6726   0.7363   2.5552   0.8013  313.460   45.690  299.783   53.977 13.67673 70.71821 
1 1 1   13   31   42 o  184.939   36.381   0.9832   0.3585   0.9297   0.4962   1.0415   0.5185  179.947   51.194  189.931   51.706 -9.984146 72.76223 
1 1 1   13   31   44 o  202.568   39.824   1.2232   0.4313   1.3318   0.6009   1.1078   0.6195  212.030   54.747  193.105   57.849 18.92473 79.64714 
1 1 1   13   31   46 f  303.624   37.682   2.6931   0.5621   1.9002   0.7663   3.6168   0.8271  247.961   60.618  359.286   44.777 -111.3254 75.36313 
1 1 1   13   32    1 o  882.689   35.107   20.335   1.5895   19.180   2.2783   21.432   2.2188  857.729   51.663  907.649   47.548 -49.92023 70.21352 
1 1 1   13   32    3 o  1407.26   43.328   51.873   2.6486   51.820   3.0263   52.046   5.4746  1413.22   41.652  1401.29   75.990 11.93359 86.65685 
1 1 1   13   32    5 o  180.122   42.305   0.7923   0.4565   0.6591   0.6088   0.9634   0.6901  166.994   57.989  193.251   61.613 -26.25763 84.61032 
1 1 1   13   32    7 o  1301.00   32.030   43.809   2.0682   44.859   3.4189   43.204   2.5974  1311.30   50.712  1290.71   39.142 20.59265 64.06090 
1 1 1   13   32    9 o  794.128   32.468   16.665   1.2767   15.443   2.0652   17.421   1.6242  768.720   52.255  819.536   38.548 -50.81567 64.93514 
1 1 1   13   32   11 o  1411.67   33.438   52.017   2.4190   51.318   3.5525   52.622   3.3032  1401.94   49.288  1421.39   45.201 -19.44934 66.87582 
1 1 1   13   32   13 o  342.013   35.845   3.0694   0.6278   2.9401   0.9170   3.1835   0.8614  334.901   53.256  349.125   47.992 -14.22397 71.68963 
1 1 1   13   32   15 o  703.658   33.565   12.950   1.2135   12.787   1.7414   13.104   1.6919  699.106   48.449  708.210   46.467 -9.104370 67.12981 
1 1 1   13   32   17 o  560.848   42.456   8.5426   1.1227   7.7529   1.9848   8.9142   1.3615  537.789   71.786  583.906   45.352 -46.11761 84.91254 
1 1 1   13   32   19 o  1063.57   43.287   29.978   2.3549   31.077   3.5372   29.104   3.1559  1079.52   63.732  1047.61   58.593 31.90369 86.57338 
1 1 1   13   32   21 o  660.547   45.156   11.451   1.5335   11.451   1.5335   0.0000   0.0000  660.547   45.156  ?   ?       ?      ? 
1 1 1   13   32   23 o  188.354   41.974   0.9519   0.4467   0.8114   0.7540   1.0279   0.5545  182.923   64.470  193.785   53.767 -10.86174 83.94769 
1 1 1   13   32   25 o  596.969   32.455   9.4481   0.9914   9.9675   1.3640   8.8665   1.4434  615.360   43.113  578.577   48.524 36.78253 64.90999 
1 1 1   13   32   27 o  338.989   34.808   3.0619   0.6052   3.1350   0.8345   2.9807   0.8790  343.723   47.222  334.255   51.151 9.467804 69.61565 
1 1 1   13   32   29 o  770.022   31.671   15.686   1.2512   15.039   1.7035   16.444   1.8437  753.258   43.987  786.785   45.578 -33.52686 63.34202 
1 1 1   13   32   31 o  222.968   38.627   1.3840   0.4372   1.2833   0.5843   1.5121   0.6589  214.079   53.297  231.857   55.925 -17.77859 77.25382 
1 1 1   13   32   33 o  451.211   33.700   5.5574   0.7658   6.4739   1.0524   4.5258   1.1165  493.759   41.457  408.664   53.142 85.09570 67.40044 
1 1 1   13   32   35 o  376.671   50.578   3.8458   0.9795   0.0000   0.0000   3.8458   0.9795  ?   ?   376.671   50.578      ?      ? 
1 1 1   13   32   37 o  718.035   32.370   13.947   1.1922   14.400   1.6505   13.453   1.7240  731.656   43.877  704.414   47.604 27.24133 64.74065 
1 1 1   13   32   39 o  186.480   35.705   0.9845   0.3644   0.6340   0.5148   1.3366   0.5159  155.356   53.361  217.604   47.455 -62.24796 71.40990 
1 1 1   13   32   41 f  694.619   33.011   13.217   1.1725   11.461   1.6109   15.195   1.7098  643.773   48.671  745.464   44.611 -101.6907 66.02222 
1 1 1   13   32   43 o  203.338   37.664   1.1837   0.4069   0.8245   0.5453   1.6351   0.6113  169.745   54.838  236.930   51.643 -67.18457 75.32784 
1 1 1   13   32   45 o  268.851   46.133   2.4250   0.6727   1.4208   1.0780   3.0654   0.8609  210.779   76.742  326.923   51.221 -116.1441 92.26608 
1 1 1   13   33    0 o  599.446   82.738   9.9222   2.4115   0.0000   0.0000   9.9222   2.4115  599.446   82.738  599.446   82.738 -0.000000 0.000000 
1 1 1   13   33    2 o  968.682   53.458   25.018   2.6530   27.220   3.7396   22.787   3.7645  1013.30   71.781  924.063   79.238 89.23846 106.9168 
1 1 1   13   33    4 o  292.855   50.164   2.3940   0.6938   2.1724   1.3188   2.4787   0.8158  282.288   84.370  303.423   54.289 -21.13458 100.3276 
1 1 1   13   33    6 o  1542.82   33.460   63.460   2.5228   57.231   4.1673   67.063   3.1696  1477.99   54.842  1607.66   38.348 -129.6705 66.91995 
1 1 1   13   33    8 o  516.070   34.903   7.2224   0.8731   6.0619   1.4326   7.9081   1.1013  480.253   58.022  551.886   38.813 -71.63251 69.80661 
1 1 1   13   33   10 o  1330.00   33.925   46.326   2.3068   44.971   3.4184   47.459   3.1260  1310.85   50.722  1349.15   45.066 -38.29443 67.85034 
1 1 1   13   33   12 o  535.613   36.100   7.7380   0.9594   5.6173   1.3871   9.6832   1.3285  461.576   58.450  609.649   42.385 -148.0728 72.20052 
1 1 1   13   33   14 o  437.212   35.107   5.0578   0.7815   4.4967   1.1411   5.5534   1.0725  413.441   53.685  460.982   45.253 -47.54166 70.21328 
1 1 1   13   33   16 o  813.499   42.881   17.831   1.6371   16.872   2.9516   18.257   1.9675  791.977   72.490  835.020   45.829 -43.04279 85.76150 
1 1 1   13   33   18 o  999.843   45.518   27.001   2.2951   25.124   3.5310   28.373   3.0200  965.162   71.160  1034.53   56.780 -69.36273 91.03641 
1 1 1   13   33   20 o  480.066   32.788   6.0616   0.8089   6.0725   1.1290   6.0500   1.1597  480.670   45.686  479.463   47.044 1.207733 65.57658 
1 1 1   13   33   22 o  195.155   40.771   0.8825   0.4550   1.6593   0.7442   0.4189   0.5750  244.240   59.756  146.070   55.482 98.17035 81.54156 
1 1 1   13   33   24 o  858.370   32.067   19.437   1.4133   19.063   1.9424   19.858   2.0602  850.057   44.445  866.683   46.236 -16.62555 64.13362 
1 1 1   13   33   26 o  397.975   34.035   4.2131   0.6960   4.2933   0.9740   4.1295   0.9948  402.120   47.114  393.831   49.130 8.289459 68.06966 
1 1 1   13   33   28 o  627.853   32.655   10.467   1.0528   9.7729   1.4579   11.224   1.5218  605.842   46.806  649.863   45.549 -44.02106 65.31034 
1 1 1   13   33   30 o  199.054   39.538   1.1240   0.4376   1.4473   0.5871   0.7203   0.6562  227.820   51.356  170.288   60.131 57.53136 79.07673 
1 1 1   13   33   32 o  298.299   38.592   2.4481   0.5779   2.1543   0.7980   2.7719   0.8380  276.140   58.054  320.457   50.862 -44.31699 77.18325 
1 1 1   13   33   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   33   36 o  153.770   35.557   0.5961   0.3446   0.9233   0.4848   0.2623   0.4898  181.133   50.281  126.407   50.290 54.72690 71.11475 
1 1 1   13   33   38 o  483.351   33.475   6.4178   0.8252   7.1212   1.1494   5.6693   1.1856  513.021   43.577  453.681   50.828 59.34067 66.95084 
1 1 1   13   33   40 o  227.973   39.664   1.5227   0.4619   1.5818   0.6463   1.4611   0.6604  233.025   54.855  222.920   57.304 10.10443 79.32724 
1 1 1   13   33   42 o  162.393   36.834   0.7407   0.3508   0.8738   0.5038   0.6153   0.4889  173.804   52.191  150.983   51.991 22.82092 73.66759 
1 1 1   13   33   44 o  213.506   46.655   1.4734   0.6420   2.1314   0.8227   0.4486   1.0266  262.621   61.935  164.391   69.791 98.22971 93.30994 
1 1 1   13   34    1 o  283.704   47.783   2.5417   0.7225   0.7748   1.3186   3.2996   0.8637  211.829   83.072  355.579   47.243 -143.7499 95.56649 
1 1 1   13   34    3 o  585.722   48.967   9.6446   1.2987   7.8901   2.3752   10.393   1.5510  540.563   85.465  630.880   47.819 -90.31732 97.93324 
1 1 1   13   34    5 o  570.843   36.627   8.6131   1.0613   7.9472   1.5947   9.1425   1.4220  549.868   56.409  591.817   46.735 -41.94897 73.25410 
1 1 1   13   34    7 o  420.975   30.941   4.5797   0.6653   5.3806   0.9883   3.9158   0.8998  454.538   42.292  387.412   45.175 67.12650 61.88203 
1 1 1   13   34    9 o  905.899   29.066   21.378   1.3494   21.263   1.9867   21.477   1.8385  903.151   42.786  908.646   39.354 -5.494263 58.13238 
1 1 1   13   34   11 o  530.843   32.146   7.2958   0.8725   6.3575   1.1753   8.4476   1.3021  493.008   46.367  568.678   44.537 -75.67017 64.29188 
1 1 1   13   34   13 f  659.068   45.170   11.680   1.3620   11.290   2.5734   11.831   1.6052  646.012   77.482  672.123   46.452 -26.11078 90.33983 
1 1 1   13   34   15 o  198.543   47.197   1.0086   0.5464   0.8377   0.9982   1.0818   0.6529  196.977   73.471  200.109   59.263 -3.132248 94.39356 
1 1 1   13   34   17 o  748.692   37.861   15.015   1.4159   15.698   1.8267   13.988   2.2410  773.089   45.959  724.294   60.180 48.79565 75.72273 
1 1 1   13   34   19 o  1095.18   32.585   31.574   1.8330   29.808   2.5756   33.385   2.6091  1063.58   47.102  1126.78   45.038 -63.19995 65.16932 
1 1 1   13   34   21 o  128.869   37.288   0.1957   0.3791   0.2861   0.4583   0.0000   0.6746  127.196   49.225  130.542   56.024 -3.345642 74.57698 
1 1 1   13   34   23 o  694.668   32.802   12.780   1.1570   10.309   1.6002   15.486   1.6748  622.643   49.987  766.693   42.489 -144.0505 65.60474 
1 1 1   13   34   25 o  460.230   34.793   5.6828   0.8164   6.3759   1.1408   4.9552   1.1689  490.453   45.241  430.008   52.872 60.44519 69.58556 
1 1 1   13   34   27 o  523.206   32.710   7.2852   0.8795   7.2076   1.2242   7.3681   1.2645  520.525   45.744  525.886   46.769 -5.361145 65.42081 
1 1 1   13   34   29 o  739.144   32.618   14.552   1.2378   14.017   1.6965   15.162   1.8100  725.007   45.513  753.282   46.736 -28.27533 65.23561 
1 1 1   13   34   31 o  630.643   34.130   10.587   1.0684   7.2779   1.4348   14.705   1.6005  517.578   53.921  743.706   41.858 -226.1282 68.26041 
1 1 1   13   34   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   34   35 o  553.634   33.032   8.2762   0.9389   7.7221   1.2929   8.8943   1.3656  533.847   47.106  573.421   46.320 -39.57452 66.06487 
1 1 1   13   34   37 o  525.835   33.261   7.5316   0.8980   7.3087   1.2318   7.7844   1.3118  518.053   46.247  533.617   47.817 -15.56458 66.52255 
1 1 1   13   34   39 o  349.270   35.365   3.3782   0.6338   3.2732   0.8644   3.5003   0.9319  343.993   48.877  354.547   51.125 -10.55420 70.73014 
1 1 1   13   34   41 o  314.060   36.640   2.8203   0.5768   2.9918   0.8056   2.6399   0.8262  327.633   47.824  300.488   55.523 27.14441 73.27984 
1 1 1   13   34   43 o  118.589   35.485   0.1545   0.3508   0.2154   0.4143   0.0000   0.6595  114.016   45.945  123.162   54.091 -9.145538 70.97059 
1 1 1   13   35    0 f  412.828   64.188   5.0437   1.1771   5.2347   1.8262   4.9080   1.5396  415.095   98.586  410.562   82.226 0.000000 0.000000 
1 1 1   13   35    2 o  337.561   40.232   3.0327   0.6648   4.1633   0.9894   2.1017   0.8977  398.866   48.246  276.256   64.397 122.6107 80.46497 
1 1 1   13   35    4 o  287.582   37.181   2.1591   0.5320   1.6668   0.7023   2.8222   0.8150  246.819   56.555  328.345   48.282 -81.52548 74.36141 
1 1 1   13   35    6 o  340.742   31.634   3.0482   0.5513   2.8090   0.7994   3.2651   0.7612  327.592   47.462  353.893   41.837 -26.30078 63.26887 
1 1 1   13   35    8 o  1086.78   34.210   31.336   1.8109   29.730   3.0557   32.205   2.2483  1061.49   55.992  1112.07   39.323 -50.58447 68.42052 
1 1 1   13   35   10 o  257.985   40.007   1.7153   0.5311   2.5601   0.8262   1.1203   0.6934  311.927   51.521  204.043   61.220 107.8848 80.01371 
1 1 1   13   35   12 o  328.329   42.733   2.9433   0.6977   3.6128   0.9904   2.2837   0.9830  370.190   52.037  286.469   67.799 83.72092 85.46611 
1 1 1   13   35   14 o  133.343   36.300   0.3171   0.3506   0.2764   0.4793   0.3640   0.5141  128.723   50.195  137.963   52.451 -9.239746 72.59917 
1 1 1   13   35   16 o  542.846   34.402   7.7648   0.9595   7.9471   1.3881   7.5980   1.3277  548.786   49.198  536.906   48.100 11.88062 68.80443 
1 1 1   13   35   18 o  358.407   39.584   3.5429   0.6647   5.5169   0.9818   1.8726   0.9031  458.546   41.647  258.268   67.328 200.2786 79.16735 
1 1 1   13   35   20 f  571.727   51.033   8.5717   1.4648   7.0869   1.8470   11.089   2.4049  508.775   70.611  634.679   73.700 -125.9037 102.0666 
1 1 1   13   35   22 o  623.282   33.437   10.282   1.0636   8.7019   1.4661   12.039   1.5455  571.729   49.876  674.834   44.547 -103.1053 66.87299 
1 1 1   13   35   24 o  1074.97   32.651   30.594   1.8002   27.814   2.4748   33.718   2.6234  1022.60   47.072  1127.35   45.262 -104.7457 65.30233 
1 1 1   13   35   26 o  858.521   32.787   19.639   1.4451   19.620   1.9914   19.660   2.1003  858.906   45.096  858.137   47.605 0.7694092 65.57349 
1 1 1   13   35   28 o  550.056   33.823   8.1925   0.9435   9.4258   1.3119   6.8714   1.3578  595.604   42.842  504.507   52.349 91.09708 67.64553 
1 1 1   13   35   30 o  928.266   32.413   22.983   1.5437   21.212   2.1119   25.014   2.2620  889.759   46.166  966.773   45.508 -77.01324 64.82551 
1 1 1   13   35   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   35   34 o  406.966   35.116   4.5388   0.7302   4.8669   1.0073   4.1754   1.0602  424.115   46.196  389.818   52.899 34.29654 70.23102 
1 1 1   13   35   36 o  173.215   37.049   0.8516   0.3582   0.9284   0.4669   0.7415   0.5585  180.923   48.988  165.507   55.593 15.41608 74.09721 
1 1 1   13   35   38 o  480.068   37.299   6.6248   0.8736   8.7420   1.2268   4.4469   1.2442  567.349   42.057  392.787   61.612 174.5616 74.59797 
1 1 1   13   35   40 f  351.642   38.943   3.6534   0.6629   4.3599   0.9038   2.8307   0.9753  397.780   44.192  305.505   64.135 92.27493 77.88628 
1 1 1   13   35   42 o  168.400   36.475   0.7942   0.3715   1.2179   0.5297   0.3842   0.5211  202.956   50.862  133.845   52.295 69.11179 72.95031 
1 1 1   13   36    1 o  657.242   48.467   11.536   1.6359   11.993   2.3835   11.129   2.2493  669.253   69.272  645.231   67.805 24.02161 96.93398 
1 1 1   13   36    3 o  886.252   47.454   20.706   2.1473   23.662   3.2750   18.477   2.8439  940.671   67.718  831.833   66.497 108.8380 94.90813 
1 1 1   13   36    5 o  818.385   41.027   17.957   1.6966   19.266   2.2582   16.262   2.5708  855.646   51.333  781.123   64.015 74.52283 82.05470 
1 1 1   13   36    7 o  1621.03   40.012   69.431   3.3274   67.736   4.5363   71.406   4.8955  1600.85   55.116  1641.22   58.018 -40.37012 80.02451 
1 1 1   13   36    9 o  740.595   40.607   14.723   1.5240   17.033   2.1194   12.248   2.1931  803.822   51.284  677.368   62.973 126.4547 81.21379 
1 1 1   13   36   11 o  469.608   32.944   5.7464   0.7876   4.7179   1.0666   6.9797   1.1680  423.235   49.016  515.981   44.029 -92.74564 65.88713 
1 1 1   13   36   13 o  968.083   31.434   24.532   1.5571   23.841   2.0905   25.393   2.3338  953.635   42.638  982.531   46.201 -28.89600 62.86885 
1 1 1   13   36   15 o  284.349   39.953   2.2104   0.5627   2.5430   0.8278   1.9247   0.7672  305.027   54.799  263.672   58.155 41.35529 79.90518 
1 1 1   13   36   17 o  285.117   51.819   2.2647   0.7112   2.2225   0.8396   2.3718   1.3383  282.927   59.604  287.308   84.783 -4.381409 103.6382 
1 1 1   13   36   19 f  307.058   56.986   2.7792   0.9095   3.0487   1.1760   2.3781   1.4348  327.423   71.835  286.694   88.484 40.72873 113.9721 
1 1 1   13   36   21 o  524.117   33.856   7.3015   0.9120   7.0688   1.2815   7.5404   1.2983  515.484   48.353  532.750   47.402 -17.26642 67.71229 
1 1 1   13   36   23 o  402.550   34.682   4.3232   0.7067   3.3971   0.9718   5.3628   1.0297  355.500   53.171  449.600   44.545 -94.10037 69.36386 
1 1 1   13   36   25 o  597.592   33.728   9.5185   1.0328   8.5024   1.4253   10.642   1.4988  563.362   49.208  631.823   46.140 -68.46082 67.45638 
1 1 1   13   36   27 o  193.468   39.606   1.0383   0.4149   1.1114   0.6203   0.9791   0.5581  199.221   57.418  187.714   54.569 11.50703 79.21267 
1 1 1   13   36   29 o  423.693   34.908   4.8175   0.7582   4.3652   1.0343   5.3429   1.1148  402.032   50.040  445.354   48.687 -43.32181 69.81663 
1 1 1   13   36   31 o  149.268   61.095   0.3078   0.7460   0.3078   0.7460   0.0000   0.0000  149.268   61.095  ?   ?       ?      ? 
1 1 1   13   36   33 o  181.791   37.991   0.9216   0.3780   0.8390   0.5042   1.0275   0.5711  173.339   52.246  190.243   55.170 -16.90369 75.98272 
1 1 1   13   36   35 o  473.771   35.236   6.2420   0.8461   7.1243   1.1717   5.2806   1.2230  512.311   44.485  435.230   54.658 77.08093 70.47300 
1 1 1   13   36   37 o  452.417   35.552   5.6540   0.8243   5.1701   1.1166   6.2336   1.2221  431.216   50.365  473.619   50.190 -42.40265 71.10317 
1 1 1   13   36   39 o  333.418   40.147   3.3106   0.6449   4.5429   0.9176   2.1084   0.9064  406.141   43.947  260.696   67.199 145.4453 80.29376 
1 1 1   13   36   41 f  282.924   38.221   2.3321   0.5426   1.9263   0.7416   2.7999   0.7961  251.838   58.407  314.010   49.314 -62.17291 76.44132 
1 1 1   13   37    0 o  170.130   80.933   1.1223   0.8078   0.0000   0.0000   1.1223   0.8078  170.130   80.933  170.130   80.933 0.000000 0.000000 
1 1 1   13   37    2 o  895.522   48.281   21.400   2.2143   23.475   3.3131   19.725   2.9768  934.046   68.992  856.997   67.561 77.04919 96.56273 
1 1 1   13   37    4 o  222.307   47.610   1.1642   0.6113   2.0983   0.9888   0.5862   0.7778  273.966   69.955  170.648   64.601 103.3183 95.22057 
1 1 1   13   37    6 o  530.451   33.804   7.3133   0.9152   6.2435   1.2262   8.6585   1.3751  486.880   48.988  574.021   46.594 -87.14114 67.60767 
1 1 1   13   37    8 o  148.104   34.890   0.5108   0.3378   0.8393   0.4597   0.1250   0.4982  175.853   49.012  120.355   49.670 55.49778 69.78008 
1 1 1   13   37   10 o  206.074   35.327   1.1391   0.3744   1.5214   0.5617   0.8334   0.5023  236.266   47.884  175.882   51.954 60.38460 70.65494 
1 1 1   13   37   12 o  479.298   33.488   5.9677   0.8099   4.5446   1.0811   7.7885   1.2228  414.234   50.762  544.363   43.692 -130.1290 66.97615 
1 1 1   13   37   14 o  1009.30   34.952   27.267   1.7928   23.511   2.5979   30.681   2.4772  939.494   53.785  1079.10   44.651 -139.6041 69.90331 
1 1 1   13   37   16 o  555.810   50.143   8.5164   1.2727   8.5749   1.4989   8.3652   2.4091  567.599   51.364  544.022   86.134 23.57758 100.2858 
1 1 1   13   37   18 o  1099.89   39.711   31.704   2.1613   35.527   3.6609   29.659   2.6777  1144.05   62.241  1055.74   49.333 88.30847 79.42105 
1 1 1   13   37   20 o  510.561   35.482   6.9503   0.9175   8.6169   1.3392   5.4762   1.2595  569.788   45.715  451.334   54.277 118.4542 70.96397 
1 1 1   13   37   22 f  254.366   39.965   1.8095   0.5087   1.9078   0.7397   1.7214   0.7007  260.951   56.750  247.781   56.287 13.17023 79.92957 
1 1 1   13   37   24 o  793.531   33.022   16.801   1.3429   15.069   1.8674   18.656   1.9325  750.096   48.422  836.966   44.911 -86.87006 66.04330 
1 1 1   13   37   26 o  754.014   33.981   15.219   1.2905   11.506   1.7634   19.500   1.8938  652.042   52.602  855.985   43.033 -203.9432 67.96152 
1 1 1   13   37   28 o  257.235   48.765   1.8431   0.6236   2.2172   1.1133   1.6721   0.7528  272.957   76.343  241.514   60.696 31.44310 97.53077 
1 1 1   13   37   30 o  466.605   48.058   5.8909   1.1529   5.8909   1.1529   0.0000   0.0000  466.605   48.058  ?   ?       ?      ? 
1 1 1   13   37   32 o  195.405   39.741   1.0926   0.4209   1.1484   0.5744   1.0279   0.6186  200.457   54.364  190.353   57.982 10.10417 79.48189 
1 1 1   13   37   34 o  743.956   34.625   15.340   1.3092   17.303   1.8169   13.220   1.8881  798.288   44.270  689.623   53.252 108.6651 69.25055 
1 1 1   13   37   36 o  153.432   33.121   0.5381   0.3333   0.0000   0.4555   1.1585   0.4891  105.659   45.694  201.205   47.960 -95.54636 66.24260 
1 1 1   13   37   38 o  820.042   34.372   18.646   1.4412   16.246   1.9482   21.545   2.1418  760.604   49.821  879.479   47.368 -118.8752 68.74454 
1 1 1   13   37   40 o  364.633   39.889   3.9783   0.7050   4.9572   0.9894   2.9682   1.0050  420.525   45.761  308.741   65.349 111.7845 79.77809 
1 1 1   13   38    1 f  332.743   50.910   2.8241   0.7778   3.8774   1.4932   2.4318   0.9112  369.085   80.922  296.401   61.796 72.68393 101.8192 
1 1 1   13   38    3 o  251.311   41.654   1.7194   0.5354   2.3046   0.7961   1.2364   0.7233  290.108   55.398  212.513   62.220 77.59514 83.30833 
1 1 1   13   38    5 o  767.123   32.866   15.412   1.2907   14.620   1.7316   16.402   1.9362  745.577   45.173  788.670   47.750 -43.09351 65.73220 
1 1 1   13   38    7 o  788.557   30.337   16.358   1.2259   15.902   1.7925   16.758   1.6802  777.450   44.846  799.665   40.868 -22.21484 60.67452 
1 1 1   13   38    9 o  713.856   30.761   13.545   1.1160   11.767   1.6250   15.132   1.5353  667.560   47.346  760.153   39.285 -92.59283 61.52201 
1 1 1   13   38   11 o  857.891   34.093   19.843   1.4403   18.074   2.3424   20.918   1.8265  822.635   55.384  893.146   39.776 -70.51062 68.18699 
1 1 1   13   38   13 o  399.099   37.014   4.2547   0.7556   4.1358   1.1163   4.3553   1.0265  393.137   55.230  405.060   49.293 -11.92352 74.02805 
1 1 1   13   38   15 o  151.927   40.911   0.4696   0.4424   0.6622   0.5253   0.0000   0.8203  161.022   53.916  142.831   61.546 18.19019 81.82240 
1 1 1   13   38   17 o  327.415   48.132   3.1245   0.7471   2.6375   1.3083   3.3601   0.9101  299.944   82.334  354.886   49.880 -54.94193 96.26494 
1 1 1   13   38   19 o  434.362   35.673   5.0398   0.7953   5.4661   1.1510   4.6503   1.1002  452.223   49.504  416.501   51.378 35.72214 71.34688 
1 1 1   13   38   21 o  405.014   40.127   4.6730   0.7611   2.9035   1.0821   6.4054   1.0708  318.417   68.160  491.612   42.364 -173.1947 80.25322 
1 1 1   13   38   23 o  617.632   34.039   10.224   1.0799   9.6767   1.5189   10.783   1.5355  600.360   49.211  634.904   47.042 -34.54340 68.07805 
1 1 1   13   38   25 o  368.988   35.389   3.6647   0.6707   3.5032   0.9250   3.8439   0.9740  360.474   49.912  377.503   50.184 -17.02841 70.77885 
1 1 1   13   38   27 o  397.085   48.027   4.5678   0.8879   4.2940   1.5361   4.7053   1.0882  377.588   81.516  416.582   50.807 -38.99442 96.05308 
1 1 1   13   38   29 o  705.139   47.071   13.443   1.7064   13.443   1.7064   0.0000   0.0000  705.139   47.071  ?   ?       ?      ? 
1 1 1   13   38   31 o  386.309   48.858   4.7802   0.8765   2.9282   1.4008   5.9719   1.1237  303.707   85.882  468.911   46.611 -165.2039 97.71545 
1 1 1   13   38   33 o  615.956   34.543   10.384   1.0911   9.4807   1.4893   11.430   1.6029  586.753   49.371  645.158   48.326 -58.40430 69.08564 
1 1 1   13   38   35 f  323.718   36.377   2.9269   0.6049   2.8723   0.8355   2.9871   0.8769  320.955   50.635  326.481   52.243 -5.526123 72.75493 
1 1 1   13   38   37 o  474.753   35.115   6.3116   0.8552   5.7845   1.1759   6.9036   1.2462  453.106   50.477  496.399   48.829 -43.29272 70.22942 
1 1 1   13   38   39 o  333.428   39.348   3.3004   0.6490   3.5473   0.8763   3.0005   0.9660  354.025   48.146  312.830   62.249 41.19501 78.69521 
1 1 1   13   39    0 o  156.072   53.398   0.8859   0.6095   0.0000   0.9675   1.4688   0.7849  110.770   71.770  201.374   79.085 0.000000 0.000000 
1 1 1   13   39    2 o  561.757   37.358   8.3465   1.0760   9.2051   1.5858   7.6141   1.4646  588.535   52.410  534.979   53.251 53.55627 74.71578 
1 1 1   13   39    4 o  632.377   36.764   10.601   1.1935   11.087   1.7477   10.177   1.6337  645.658   52.649  619.096   51.326 26.56189 73.52744 
1 1 1   13   39    6 o  214.980   39.937   1.2241   0.4693   1.8938   0.7012   0.6806   0.6317  262.212   53.819  167.747   59.021 94.46440 79.87456 
1 1 1   13   39    8 o  664.141   35.511   11.948   1.1538   10.883   1.9025   12.568   1.4512  636.617   58.126  691.664   40.809 -55.04730 71.02136 
1 1 1   13   39   10 o  694.370   36.295   13.498   1.2087   10.638   1.9734   15.215   1.5291  627.345   61.183  761.396   39.062 -134.0505 72.58959 
1 1 1   13   39   12 o  813.465   34.681   18.255   1.3766   15.081   2.2073   20.274   1.7610  748.413   57.365  878.518   38.990 -130.1048 69.36121 
1 1 1   13   39   14 o  564.794   55.639   9.3481   1.3672   9.7684   1.6174   8.2957   2.5591  604.143   52.071  525.446   98.344 78.69629 111.2784 
1 1 1   13   39   16 o  492.434   42.242   6.0360   1.0158   8.5353   1.8204   4.9060   1.2241  558.524   63.397  426.344   55.844 132.1797 84.48471 
1 1 1   13   39   18 o  1094.72   34.568   32.072   1.9436   31.562   2.7973   32.548   2.7025  1085.20   50.137  1104.23   47.604 -19.03271 69.13629 
1 1 1   13   39   20 o  207.563   41.979   1.1711   0.4679   1.4830   0.7302   0.9539   0.6095  228.618   60.998  186.508   57.691 42.10970 83.95840 
1 1 1   13   39   22 o  663.734   34.978   11.891   1.1854   10.354   1.6755   13.432   1.6775  618.663   52.676  708.805   46.033 -90.14178 69.95522 
1 1 1   13   39   24 o  822.907   34.517   18.350   1.4424   15.122   2.0318   21.631   2.0480  746.140   52.966  899.674   44.276 -153.5333 69.03461 
1 1 1   13   39   26 o  705.992   48.036   14.106   1.7234   14.083   2.6332   14.124   2.2795  700.343   73.132  711.641   62.302 -11.29828 96.07201 
1 1 1   13   39   28 o  335.687   53.332   4.1096   0.8730   4.9047   1.0021   1.6062   1.7782  426.217   45.732  245.157   96.364 181.0592 106.6648 
1 1 1   13   39   30 o  201.359   44.892   1.1785   0.5190   0.9853   0.8406   1.2975   0.6597  191.162   67.998  211.556   58.628 -20.39369 89.78338 
1 1 1   13   39   32 o  231.652   42.911   1.5539   0.5117   1.3761   0.6661   1.8097   0.7991  216.664   58.453  246.640   62.838 -29.97542 85.82227 
1 1 1   13   39   34 o  183.492   38.022   0.7330   0.4091   0.2120   0.5024   1.7587   0.7049  122.704   50.171  244.279   57.145 -121.5756 76.04390 
1 1 1   13   39   36 o  442.879   37.258   5.5775   0.8459   5.5702   1.1549   5.5859   1.2424  444.252   50.565  441.506   54.735 2.746124 74.51671 
1 1 1   13   39   38 o  272.985   41.090   2.3069   0.5685   2.8223   0.7694   1.6873   0.8437  316.080   47.349  229.890   67.168 86.18988 82.17972 
1 1 1   13   40    1 o  203.387   46.233   0.9689   0.6311   0.0000   0.9132   1.8545   0.8731  150.432   64.878  256.341   65.886 -105.9083 92.46662 
1 1 1   13   40    3 o  405.825   55.047   5.1590   0.9957   3.5237   1.8261   5.8508   1.1878  342.339   98.474  469.311   49.227 -126.9727 110.0930 
1 1 1   13   40    5 o  469.105   52.965   6.4144   1.0875   5.6099   2.0283   6.7390   1.2884  434.864   93.502  503.346   49.785 -68.48254 105.9303 
1 1 1   13   40    7 o  159.122   39.725   0.2937   0.3807   1.2479   0.7847   0.0000   0.4354  212.825   65.396  105.419   45.119 107.4069 79.45035 
1 1 1   13   40    9 o  615.807   40.731   10.219   1.2816   10.145   1.7185   10.312   1.9237  614.880   54.362  616.734   60.670 -1.853210 81.46221 
1 1 1   13   40   11 o  873.794   39.284   20.368   1.7503   17.075   2.3650   24.355   2.6028  794.744   57.881  952.844   53.131 -158.1000 78.56886 
1 1 1   13   40   13 o  690.031   39.899   12.892   1.4075   13.138   1.9054   12.597   2.0880  699.257   53.001  680.804   59.653 18.45313 79.79769 
1 1 1   13   40   15 o  1077.13   35.106   31.066   1.9405   31.009   2.8286   31.117   2.6671  1074.84   51.186  1079.42   48.059 -4.580688 70.21178 
1 1 1   13   40   17 o  512.391   35.877   7.0458   0.9433   7.2093   1.3838   6.9039   1.2892  517.364   52.023  507.419   49.418 9.945587 71.75325 
1 1 1   13   40   19 o  265.326   39.224   1.9716   0.5265   1.6083   0.7613   2.3046   0.7289  237.512   61.763  293.141   48.366 -55.62894 78.44707 
1 1 1   13   40   21 o  476.335   36.250   6.1187   0.8863   6.6175   1.2841   5.6648   1.2249  495.210   50.436  457.461   52.082 37.74896 72.50055 
1 1 1   13   40   23 f  437.093   51.555   5.7828   0.9917   4.8514   1.8163   6.1783   1.1837  395.375   91.212  478.810   48.083 -83.43500 103.1096 
1 1 1   13   40   25 o  150.371   40.912   0.4713   0.4267   0.3721   0.7652   0.5161   0.5141  153.801   62.279  146.941   53.072 6.859573 81.82436 
1 1 1   13   40   27 o  642.238   34.724   11.235   1.1452   11.147   1.5799   11.333   1.6625  640.408   47.984  644.068   50.206 -3.660461 69.44844 
1 1 1   13   40   29 o  816.708   40.161   18.051   1.6455   21.595   2.7102   15.982   2.0710  873.790   60.329  759.626   53.028 114.1638 80.32166 
1 1 1   13   40   31 o  166.163   39.668   0.7623   0.4045   0.8795   0.5135   0.5708   0.6564  175.755   52.673  156.570   59.328 19.18465 79.33625 
1 1 1   13   40   33 o  844.518   35.102   19.743   1.5183   17.827   2.0511   22.064   2.2582  799.169   49.921  889.868   49.360 -90.69971 70.20301 
1 1 1   13   40   35 o  235.318   40.354   1.6302   0.4906   1.1813   0.6614   2.1793   0.7315  198.182   59.867  272.455   54.128 -74.27266 80.70882 
1 1 1   13   40   37 o  209.364   39.593   1.3016   0.4731   2.0385   0.6842   0.6267   0.6548  262.450   52.540  156.279   59.245 106.1710 79.18615 
1 1 1   13   41    0 f  156.769   86.802   0.9404   1.0257   0.9404   1.0257   0.0000   0.0000  156.769   86.802  156.769   86.802 0.000000 0.000000 
1 1 1   13   41    2 o  409.374   53.233   4.7168   1.0057   4.6758   1.2060   4.8105   1.8226  416.633   56.301  402.114   90.363 14.51837 106.4670 
1 1 1   13   41    4 o  566.103   54.807   9.3042   1.3846   9.6887   1.6587   8.4207   2.5146  600.832   53.698  531.373   95.559 69.45831 109.6131 
1 1 1   13   41    6 o  710.351   46.600   13.426   1.4251   13.077   1.6166   14.643   3.0189  702.382   44.767  718.319   81.744 -15.93683 93.19965 
1 1 1   13   41    8 o  376.635   38.269   3.6271   0.7191   3.0663   0.8942   4.6533   1.2097  338.314   51.411  414.956   56.702 -76.64148 76.53889 
1 1 1   13   41   10 o  471.332   38.121   5.7009   0.8943   4.9227   1.1080   7.1550   1.5146  428.791   50.261  513.872   57.329 -85.08096 76.24124 
1 1 1   13   41   12 o  221.260   47.127   1.3510   0.5742   1.1928   0.7494   1.5760   0.8937  207.276   63.944  235.245   69.246 -27.96875 94.25396 
1 1 1   13   41   14 o  858.055   36.547   20.067   1.5892   17.226   2.3231   22.566   2.1788  796.275   56.746  919.835   46.072 -123.5596 73.09422 
1 1 1   13   41   16 o  159.812   36.681   0.5389   0.3657   1.1342   0.5868   0.1610   0.4676  201.149   55.114  118.476   48.418 82.67329 73.36124 
1 1 1   13   41   18 o  388.865   46.358   4.0271   0.8412   4.9236   1.5453   3.6496   1.0028  410.780   75.968  366.950   53.153 43.82968 92.71660 
1 1 1   13   41   20 o  233.863   45.152   1.6589   0.5732   1.0249   0.9628   2.0070   0.7134  200.188   72.581  267.539   53.729 -67.35040 90.30395 
1 1 1   13   41   22 o  261.553   66.799   1.9982   0.9015   0.0000   0.0000   1.9982   0.9015  ?   ?   261.553   66.799      ?      ? 
1 1 1   13   41   24 o  424.163   48.212   5.1673   1.0123   6.3112   1.4746   4.1476   1.3922  475.497   60.319  372.829   75.227 102.6683 96.42368 
1 1 1   13   41   26 o  456.782   43.700   5.9507   0.9755   5.6595   1.6209   6.1161   1.2215  440.984   71.492  472.579   50.274 -31.59546 87.39925 
1 1 1   13   41   28 o  293.323   45.203   2.6213   0.6633   2.0139   1.0554   3.0179   0.8527  255.653   75.248  330.993   50.110 -75.33992 90.40566 
1 1 1   13   41   30 o  183.473   43.671   0.9580   0.4969   0.6811   0.7754   1.1509   0.6472  168.629   64.340  198.317   59.067 -29.68793 87.34141 
1 1 1   13   41   32 o  485.764   43.734   6.8745   1.0585   6.9182   1.7103   6.8475   1.3475  479.535   69.373  491.993   53.273 -12.45847 87.46831 
1 1 1   13   41   34 o  422.415   44.703   5.2784   0.9609   5.6298   1.4823   5.0237   1.2620  430.948   66.904  413.883   59.308 17.06525 89.40629 
1 1 1   13   41   36 o  137.577   36.343   0.4220   0.3742   0.0000   0.5712   0.7391   0.4952  115.230   50.480  159.925   52.298 -44.69510 72.68604 
1 1 1   13   42    1 o  209.235   43.136   1.2289   0.4943   1.0867   0.7354   1.3461   0.6677  199.569   63.601  218.902   58.291 -19.33347 86.27297 
1 1 1   13   42    3 o  717.144   38.148   14.014   1.3876   11.951   2.0131   15.881   1.9154  663.011   59.058  771.277   48.303 -108.2656 76.29519 
1 1 1   13   42    5 o  196.848   40.644   1.0624   0.4822   0.3806   0.7191   1.6195   0.6500  152.837   60.897  240.859   53.847 -88.02153 81.28891 
1 1 1   13   42    7 o  178.810   42.327   0.5152   0.4099   0.2323   0.4616   1.5680   0.8906  122.932   48.851  234.688   69.137 -111.7557 84.65428 
1 1 1   13   42    9 o  205.233   41.576   1.1169   0.5260   1.9138   0.7315   0.2642   0.7567  261.296   56.128  149.170   61.350 112.1254 83.15193 
1 1 1   13   42   11 f  498.366   43.101   6.6536   1.0700   4.6934   1.4136   9.2839   1.6374  411.110   66.880  585.621   54.385 -174.5110 86.20129 
1 1 1   13   42   13 o  413.122   45.320   5.1215   0.8458   5.8723   1.0534   3.7591   1.4191  469.754   43.617  356.491   79.456 113.2634 90.64015 
1 1 1   13   42   15 o  777.266   49.695   16.538   1.7958   15.913   2.1175   18.139   3.3894  765.792   53.782  788.741   83.582 -22.94958 99.39069 
1 1 1   13   42   17 o  230.705   50.204   1.5744   0.6389   1.7430   0.7539   1.1448   1.2034  247.011   59.968  214.399   80.533 32.61212 100.4075 
1 1 1   13   42   19 o  517.726   66.338   8.3291   1.7043   9.6551   2.3751   6.9217   2.4470  574.549   80.406  460.902  105.537 113.6470 132.6770 
1 1 1   13   42   21 o  216.502   79.296   1.2522   1.1534   1.2522   1.1534   0.0000   0.0000  216.502   79.296  ?   ?       ?      ? 
1 1 1   13   42   23 o  206.806   48.755   1.1828   0.5586   1.1905   0.6434   1.1593   1.1261  203.753   58.403  209.859   78.084 -6.106155 97.50957 
1 1 1   13   42   25 o  536.623   58.528   8.8022   1.4929   8.8221   1.8637   8.7667   2.4937  554.770   65.343  518.476   97.120 36.29437 117.0558 
1 1 1   13   42   27 o  225.629   49.001   1.5837   0.7398   2.3873   0.9083   0.0000   1.2751  283.571   63.841  167.686   74.356 115.8853 98.00288 
1 1 1   13   42   29 o  353.296   54.580   3.6159   0.8748   3.2237   1.0180   4.7232   1.7106  330.094   62.267  376.498   89.658 -46.40384 109.1592 
1 1 1   13   42   31 o  167.627   44.616   0.7388   0.5119   0.9352   0.5760   0.0000   1.1169  179.399   56.178  155.856   69.328 23.54292 89.23179 
1 1 1   13   42   33 o  566.815   58.211   10.290   1.3379   10.160   1.5241   10.727   2.7929  599.177   49.475  534.453  105.387 64.72443 116.4227 
1 1 1   13   43    0 f  150.395   55.391   0.8914   0.5910   0.4945   0.9448   1.1464   0.7574  129.567   78.053  171.222   78.614 0.000000 0.000000 
1 1 1   13   43    2 o  174.415   41.500   0.7876   0.4396   0.8899   0.6494   0.7011   0.5972  182.484   59.900  166.345   57.453 16.13922 82.99924 
1 1 1   13   43    4 o  406.835   58.493   5.5457   1.1110   6.6646   1.3435   3.1261   1.9757  497.045   52.575  316.625  104.507 180.4193 116.9867 
1 1 1   13   43    6 o  722.218   53.823   15.379   1.7720   16.292   2.1241   13.289   3.2136  776.454   53.209  667.981   93.576 108.4727 107.6458 
1 1 1   13   43    8 o  453.546   38.856   5.5540   0.9035   5.9791   1.3400   5.1996   1.2235  469.112   55.559  437.980   54.335 31.13193 77.71124 
1 1 1   13   43   10 o  229.322   43.926   1.5617   0.5368   1.8293   0.6728   1.0928   0.8906  255.914   52.884  202.729   70.153 53.18491 87.85293 
1 1 1   13   43   12 o  692.681   34.710   12.844   1.2014   13.210   1.9503   12.620   1.5251  697.037   54.422  688.324   43.096 8.713257 69.41969 
1 1 1   13   43   14 o  306.101   38.343   2.5685   0.5775   2.6841   0.9192   2.4931   0.7424  307.632   60.275  304.569   47.410 3.062683 76.68611 
1 1 1   13   43   16 o  283.178   43.857   2.4379   0.6303   1.5077   0.9946   3.0623   0.8148  229.020   74.069  337.336   46.983 -108.3164 87.71352 
1 1 1   13   43   18 o  550.622   50.879   8.2780   1.3933   10.473   2.3650   7.1112   1.7242  599.886   76.682  501.358   66.892 98.52859 101.7581 
1 1 1   13   43   20 o  141.057   54.638   0.3934   0.5650   0.3934   0.5650   0.0000   0.0000  141.057   54.638  ?   ?       ?      ? 
1 1 1   13   43   22 o  372.104   49.196   3.4135   0.8496   2.5297   0.9862   5.9573   1.6731  292.261   67.056  451.947   72.004 -159.6863 98.39254 
1 1 1   13   43   24 o  159.076   43.563   0.5645   0.4971   0.7526   0.5740   0.0000   0.9942  166.783   56.354  151.369   66.447 15.41402 87.12619 
1 1 1   13   43   26 o  184.070   49.184   0.8632   0.6417   1.0406   0.8336   0.6052   1.0053  192.660   67.799  175.480   71.270 17.18001 98.36757 
1 1 1   13   43   28 o  205.842   50.082   1.2306   0.5982   1.2377   0.6951   1.2106   1.1747  204.010   61.316  207.673   79.202 -3.663361 100.1631 
1 1 1   13   43   30 o  348.761   57.829   4.4269   0.9652   4.8691   1.1104   3.0596   1.9526  414.426   52.115  283.095  103.250 131.3307 115.6573 
1 1 1   13   43   32 o  428.882   57.123   5.7333   1.0642   5.3879   1.2235   6.8068   2.1570  430.659   55.260  427.104   99.993 3.554565 114.2461 
1 1 1   13   44    1 o  316.958   59.921   2.9535   1.0742   1.4908   1.4741   4.6099   1.5687  238.890   89.248  395.027   79.982 -156.1367 119.8427 
1 1 1   13   44    3 o  326.588   64.100   3.2901   1.1134   3.4084   1.4991   3.1445   1.6628  334.939   86.465  318.237   94.651 16.70123 128.1991 
1 1 1   13   44    5 o  217.260   54.800   1.2491   0.7756   1.4120   1.0859   1.0793   1.1082  225.900   77.504  208.621   77.493 17.27849 109.5994 
1 1 1   13   44    7 o  317.190   51.893   3.1184   0.8015   2.2919   1.4603   3.4748   0.9589  276.095   89.787  358.286   52.057 -82.19177 103.7863 
1 1 1   13   44    9 o  638.007   34.583   10.504   1.1044   13.077   1.8371   9.0484   1.3820  695.061   51.408  580.953   46.271 114.1079 69.16523 
1 1 1   13   44   11 o  157.489   38.782   0.6311   0.3872   0.4314   0.6324   0.7508   0.4897  148.874   57.763  166.105   51.764 -17.23135 77.56351 
1 1 1   13   44   13 o  247.158   42.165   1.7015   0.5144   1.9580   0.8563   1.5566   0.6434  259.861   64.417  234.455   54.424 25.40523 84.33032 
1 1 1   13   44   15 o  410.146   47.285   4.8025   0.9682   5.5075   1.3953   4.1478   1.3445  444.586   61.045  375.706   72.228 68.87985 94.56942 
1 1 1   13   44   17 o  462.206   39.823   5.8846   0.9053   5.8309   1.1284   5.9815   1.5167  464.049   47.298  460.362   64.080 3.686676 79.64558 
1 1 1   13   44   19 o  170.419   41.323   0.7387   0.4352   0.9941   0.6750   0.5569   0.5694  188.413   61.026  152.426   55.733 35.98747 82.64600 
1 1 1   13   44   21 o  640.990   36.894   11.380   1.2089   10.071   1.7090   12.690   1.7104  601.285   55.283  680.696   48.873 -79.41138 73.78823 
1 1 1   13   44   23 o  455.737   51.020   5.4137   1.0616   4.6094   1.2151   8.0079   2.1822  403.425   58.585  508.050   83.545 -104.6248 102.0390 
1 1 1   13   44   25 o  180.626   43.107   0.8887   0.4594   1.0617   0.7716   0.7937   0.5719  192.315   65.338  168.936   56.248 23.37947 86.21405 
1 1 1   13   44   27 o  278.656   44.561   2.3500   0.6242   2.5520   0.8760   2.1416   0.8897  292.908   60.182  264.403   65.732 28.50461 89.12103 
1 1 1   13   44   29 o  935.234   36.407   24.819   1.7499   24.256   2.4353   25.419   2.5162  924.744   51.223  945.724   51.750 -20.98041 72.81403 
1 1 1   13   44   31 f  204.005   43.194   1.2844   0.4885   1.2575   0.6863   1.3119   0.6955  202.000   60.974  206.011   61.199 -4.011490 86.38889 
1 1 1   13   45    0 o   94.080   61.043   0.0000   0.7033   0.0000   0.0000   0.0000   0.7033   94.080   61.043   94.080   61.043 -0.000000 0.000000 
1 1 1   13   45    2 o  1219.70   47.676   40.852   2.7648   44.379   5.0166   39.314   3.3134  1237.58   78.844  1201.82   53.626 35.76746 95.35225 
1 1 1   13   45    4 o  246.205   51.836   1.8095   0.6901   1.4813   1.2389   1.9571   0.8309  231.648   82.534  260.763   62.737 -29.11467 103.6720 
1 1 1   13   45    6 o  226.864   48.230   1.4741   0.5828   1.4279   1.0487   1.4948   0.7011  225.067   76.172  228.660   59.181 -3.593109 96.45995 
1 1 1   13   45    8 o  579.625   39.006   9.1187   1.1567   10.062   1.7447   8.3789   1.5450  605.565   56.039  553.686   54.273 51.87878 78.01264 
1 1 1   13   45   10 o  727.638   38.751   14.231   1.4335   16.515   2.2407   12.649   1.8652  774.868   56.246  680.408   53.319 94.46002 77.50211 
1 1 1   13   45   12 o  145.613   38.359   0.4364   0.3877   0.6871   0.5899   0.2457   0.5144  163.623   57.066  127.603   51.276 36.01990 76.71861 
1 1 1   13   45   14 o  921.988   38.321   23.181   1.7423   22.629   2.1697   24.182   2.9234  915.092   46.117  928.885   61.215 -13.79254 76.64240 
1 1 1   13   45   16 o  531.460   31.994   7.6785   0.8689   7.0184   1.2579   8.2808   1.2016  507.731   48.189  555.188   42.097 -47.45697 63.98745 
1 1 1   13   45   18 o  422.177   36.798   5.0101   0.7799   5.8102   1.0645   4.0829   1.1460  463.059   44.713  381.294   58.457 81.76431 73.59684 
1 1 1   13   45   20 o  453.485   40.091   5.7446   0.9140   7.4076   1.3474   4.3270   1.2441  517.931   50.601  389.039   62.199 128.8921 80.18217 
1 1 1   13   45   22 o  321.190   54.270   3.8518   0.9595   4.8059   1.1231   1.2746   1.8458  414.775   52.667  227.606   94.906 187.1690 108.5401 
1 1 1   13   45   24 o  767.009   43.743   17.516   1.6330   15.207   2.6411   18.945   2.0778  708.487   72.506  825.531   48.956 -117.0444 87.48640 
1 1 1   13   45   26 o  606.805   39.070   10.629   1.1805   13.613   1.6890   7.7791   1.6506  699.562   46.959  514.048   62.454 185.5141 78.13922 
1 1 1   13   45   28 o  120.523   34.539   0.2374   0.3281   0.2340   0.5200   0.2396   0.4229  124.315   50.959  116.731   46.637 7.584206 69.07813 
1 1 1   13   45   30 f  162.803   39.120   0.7536   0.3873   0.8496   0.5982   0.6842   0.5083  170.176   57.529  155.430   53.029 14.74640 78.24091 
1 1 1   13   46    1 o  809.980   52.786   18.962   2.1967   18.792   3.1520   19.123   3.0631  804.567   76.201  815.393   73.068 -10.82532 105.5719 
1 1 1   13   46    3 o  750.206   52.416   16.206   2.0116   16.701   3.0114   15.808   2.7032  756.806   77.395  743.607   70.708 13.19879 104.8313 
1 1 1   13   46    5 o  630.125   53.035   11.125   1.6889   14.033   2.6945   9.2436   2.1676  695.299   75.376  564.951   74.628 130.3478 106.0697 
1 1 1   13   46    7 o  190.100   48.489   0.8966   0.6348   0.3959   0.9396   1.3169   0.8609  165.714   68.282  214.485   68.863 -48.77090 96.97718 
1 1 1   13   46    9 o  313.937   49.173   2.9448   0.7887   3.4752   1.0638   2.2973   1.1754  353.492   58.535  274.382   79.028 79.11005 98.34522 
1 1 1   13   46   11 o  356.555   44.650   3.7388   0.7474   3.9788   0.9284   3.2968   1.2600  383.007   47.149  330.103   75.839 52.90439 89.30069 
1 1 1   13   46   13 o  418.144   35.518   4.9113   0.7380   3.7022   1.0756   5.9868   1.0145  364.262   57.433  472.027   41.803 -107.7654 71.03552 
1 1 1   13   46   15 o  323.856   37.765   2.9494   0.5935   4.0635   0.8710   1.9835   0.8110  387.631   43.704  260.080   61.601 127.5507 75.52958 
1 1 1   13   46   17 o  226.068   39.371   1.4927   0.4571   1.2752   0.6631   1.6896   0.6310  209.023   59.084  243.112   52.051 -34.08873 78.74151 
1 1 1   13   46   19 o  193.372   41.661   1.0904   0.4536   1.1943   0.6100   0.9620   0.6784  202.410   56.478  184.334   61.259 18.07600 83.32134 
1 1 1   13   46   21 o  466.363   62.883   7.6368   1.2580   8.2768   1.4690   5.8760   2.4366  543.099   52.610  389.628  114.234 153.4718 125.7667 
1 1 1   13   46   23 o  233.976   45.751   1.7438   0.5938   1.1218   0.9386   2.1589   0.7668  197.339   71.645  270.613   56.918 -73.27310 91.50266 
1 1 1   13   46   25 o  208.802   41.593   1.2914   0.4669   1.5877   0.7024   1.0569   0.6250  229.061   59.209  188.543   58.432 40.51755 83.18615 
1 1 1   13   46   27 o  345.879   42.485   3.6099   0.7312   3.1836   1.0545   4.0048   1.0149  319.059   66.440  372.701   52.966 -53.64197 84.96912 
1 1 1   13   47    0 o  411.182   91.103   5.2724   1.6838   5.2724   1.6838   0.0000   0.0000  411.182   91.103  411.182   91.103 -0.000000 0.000000 
1 1 1   13   47    2 o  447.536   71.868   5.8030   1.6536   0.0000   0.0000   5.8030   1.6536  ?   ?   447.536   71.868      ?      ? 
1 1 1   13   47    4 o  241.627   47.435   1.8178   0.6576   2.4074   0.8381   0.8736   1.0606  289.844   58.261  193.409   74.872 96.43518 94.86900 
1 1 1   13   47    6 o  310.719   52.266   3.3644   0.8933   4.3493   1.0755   1.1743   1.6038  397.627   52.612  223.810   90.326 173.8167 104.5311 
1 1 1   13   47    8 o  393.899   38.227   4.3114   0.7642   4.4429   1.0152   4.1396   1.1607  403.362   48.954  384.435   58.726 18.92712 76.45415 
1 1 1   13   47   10 o  627.538   32.934   10.675   1.0580   12.103   1.5410   9.4017   1.4553  668.368   44.846  586.708   48.244 81.66028 65.86877 
1 1 1   13   47   12 o  152.848   37.804   0.5999   0.3659   0.6455   0.5334   0.5593   0.5028  156.962   54.292  148.733   52.621 8.229645 75.60810 
1 1 1   13   47   14 o  684.648   32.344   12.801   1.1363   12.521   1.6456   13.056   1.5711  676.070   47.343  693.227   44.081 -17.15729 64.68769 
1 1 1   13   47   16 o  263.046   41.088   2.0173   0.5426   1.6631   0.7477   2.4113   0.7886  236.730   61.040  289.361   55.018 -52.63104 82.17590 
1 1 1   13   47   18 o  785.536   34.646   17.006   1.3946   15.741   1.8824   18.545   2.0765  753.863   48.567  817.208   49.423 -63.34546 69.29176 
1 1 1   13   47   20 o  278.443   60.089   2.3092   0.8345   1.9888   0.9552   3.3415   1.7146  252.019   70.799  304.867   97.110 -52.84828 120.1779 
1 1 1   13   47   22 o  611.178   37.425   10.632   1.1746   10.457   1.6914   10.795   1.6325  604.649   54.408  617.707   51.403 -13.05774 74.85029 
1 1 1   13   47   24 o  173.941   41.341   0.8756   0.4355   0.9262   0.6458   0.8333   0.5897  177.856   59.779  170.025   57.122 7.830688 82.68275 
1 1 1   13   47   26 o  397.721   41.352   4.7087   0.8421   4.5995   1.2341   4.8039   1.1519  390.589   61.458  404.853   55.342 -14.26431 82.70345 
1 1 1   13   48    1 o  646.705   39.800   11.678   1.3217   12.341   1.8761   11.026   1.8624  666.282   54.767  627.127   57.764 39.15497 79.60003 
1 1 1   13   48    3 o  224.904   45.314   1.5037   0.5817   0.8777   0.8542   2.0450   0.7943  184.824   68.157  264.983   59.732 -80.15891 90.62720 
1 1 1   13   48    5 o  810.920   48.093   18.430   1.8473   20.819   3.3941   17.424   2.2020  830.061   79.533  791.780   54.093 38.28064 96.18537 
1 1 1   13   48    7 o  208.831   50.340   1.2251   0.6049   1.2703   1.1574   1.2082   0.7095  213.876   79.244  203.787   62.105 10.08890 100.6809 
1 1 1   13   48    9 o  394.458   44.665   4.4646   0.8437   4.3647   1.0501   4.6465   1.4173  397.012   51.445  391.905   73.029 5.107605 89.33024 
1 1 1   13   48   11 o  287.962   40.569   2.4332   0.5912   1.3277   0.8211   3.6233   0.8520  211.724   67.178  364.201   45.501 -152.4774 81.13737 
1 1 1   13   48   13 o  253.736   41.868   1.8918   0.5355   1.7722   0.7324   2.0291   0.7849  245.159   58.856  262.313   59.562 -17.15408 83.73586 
1 1 1   13   48   15 o  183.573   36.092   0.9056   0.4070   1.6314   0.5815   0.2088   0.5698  238.975   48.977  128.172   53.027 110.8025 72.18477 
1 1 1   13   48   17 o  280.038   38.795   2.3419   0.5411   1.4799   0.7764   3.1560   0.7546  220.678   64.422  339.399   43.243 -118.7213 77.58988 
1 1 1   13   48   19 o  477.323   62.503   7.3323   1.3192   7.0214   1.5387   8.1943   2.5625  489.322   61.165  465.324  109.021 23.99768 125.0065 
1 1 1   13   48   21 o  227.581   43.629   1.5709   0.5192   1.7631   0.7962   1.4287   0.6849  238.505   63.721  216.656   59.613 21.84860 87.25813 
1 1 1   13   48   23 o  217.864   43.957   1.4812   0.5206   1.2832   0.7447   1.6705   0.7280  203.121   63.924  232.607   60.354 -29.48610 87.91412 
1 1 1   13   49    0 o   96.236   44.572   0.0000   0.5097   0.0000   0.6142   0.0000   0.9133   87.361   56.819  105.112   68.691 -0.000000 0.000000 
1 1 1   13   49    2 o  208.580   43.994   1.2705   0.5233   0.8829   0.7415   1.6550   0.7387  180.499   63.902  236.661   60.484 -56.16245 87.98709 
1 1 1   13   49    4 o  183.070   46.332   0.9105   0.5603   1.0992   0.7215   0.6238   0.8895  195.005   63.086  171.134   67.872 23.87106 92.66322 
1 1 1   13   49    6 o  469.849   47.871   6.3871   1.1432   5.8713   1.4883   7.1294   1.7854  449.885   64.345  489.814   70.897 -39.92862 95.74285 
1 1 1   13   49    8 o  192.973   45.034   1.0349   0.5310   0.6904   0.7226   1.4391   0.7828  166.875   62.459  219.070   64.893 -52.19536 90.06799 
1 1 1   13   49   10 o  543.580   44.733   9.0478   1.1367   10.193   1.4211   7.0141   1.8941  609.415   45.357  477.745   77.116 131.6700 89.46561 
1 1 1   13   49   12 o  177.592   36.916   0.8515   0.3863   1.3823   0.5704   0.4017   0.5251  218.258   51.637  136.927   52.772 81.33109 73.83247 
1 1 1   13   49   14 o  477.708   34.099   6.3547   0.8314   7.3285   1.1955   5.4428   1.1569  515.454   45.110  439.963   51.147 75.49109 68.19775 
1 1 1   13   49   16 o  201.878   45.789   1.1985   0.5159   1.1304   0.6288   1.3387   0.9022  194.809   58.265  208.946   70.652 -14.13766 91.57834 
1 1 1   13   49   18 o  442.387   49.820   6.1050   1.0785   6.3319   1.4134   5.7886   1.6688  464.494   59.184  420.279   80.159 44.21463 99.64034 
1 1 1   13   49   20 o  214.780   40.766   1.4179   0.4839   1.9297   0.6746   0.8751   0.6947  255.210   53.141  174.351   61.835 80.85925 81.53216 
1 1 1   13   50    1 f  478.175   58.840   7.2703   1.4175   7.5051   2.0274   7.0457   1.9828  489.960   80.484  466.390   85.853 23.57007 117.6794 
1 1 1   13   50    3 f  218.934   50.705   1.4566   0.6977   0.8093   1.0458   1.9758   0.9367  185.287   73.559  252.581   69.806 -67.29417 101.4095 
1 1 1   13   50    5 o  240.963   44.589   1.8120   0.5965   1.0060   0.8888   2.4725   0.8046  190.432   69.631  291.494   55.717 -101.0618 89.17832 
1 1 1   13   50    7 o  515.255   41.187   7.7238   1.0722   6.6655   1.5778   8.6317   1.4614  475.880   64.490  554.629   51.251 -78.74866 82.37485 
1 1 1   13   50    9 o  490.373   36.853   6.8238   0.9210   7.2499   1.2545   6.3256   1.3565  510.547   47.791  470.198   56.112 40.34949 73.70618 
1 1 1   13   50   11 o  412.462   37.057   4.8049   0.7834   4.6230   1.0605   5.0234   1.1624  404.957   50.937  419.966   53.837 -15.00922 74.11436 
1 1 1   13   50   13 o  152.978   33.597   0.5087   0.3366   1.1938   0.5156   0.0000   0.4443  202.213   49.903  103.744   44.997 98.46918 67.19456 
1 1 1   13   50   15 o  423.689   47.567   5.5123   0.9946   5.5986   1.3110   5.3952   1.5266  437.112   58.338  410.265   75.146 26.84665 95.13321 
1 1 1   13   50   17 o  540.617   37.350   8.4545   1.0117   8.2712   1.6004   8.5764   1.3058  528.578   58.891  552.657   45.956 -24.07977 74.69967 
1 1 1   13   51    0 o  625.420   87.246   14.618   2.1634   7.7355   3.2302   20.216   2.9134  406.485  160.641  844.354   68.133 0.000000 0.000000 
1 1 1   13   51    2 o  811.570   48.655   19.563   1.9356   21.148   3.2929   18.726   2.3926  818.353   78.266  804.786   57.826 13.56647 97.31048 
1 1 1   13   51    4 o  272.314   50.838   2.1085   0.7077   3.4294   1.2312   1.4568   0.8649  327.809   74.716  216.819   68.960 110.9905 101.6756 
1 1 1   13   51    6 o  265.418   53.567   2.2827   0.7301   2.2542   1.3667   2.2940   0.8636  256.308   86.956  274.528   62.580 -18.22034 107.1337 
1 1 1   13   51    8 o  605.997   49.772   10.422   1.4342   13.805   2.6957   9.0864   1.6938  654.640   80.093  557.355   59.111 97.28546 99.54365 
1 1 1   13   51   10 o  371.056   47.804   4.2866   0.8670   3.9311   1.3519   4.5351   1.1300  346.268   77.830  395.843   55.527 -49.57471 95.60743 
1 1 1   13   51   12 o  217.143   49.451   1.4844   0.5794   1.5164   0.6569   1.3721   1.2302  223.835   56.944  210.452   80.863 13.38318 98.90137 
1 1 1   13   51   14 o  283.301   60.768   2.6519   0.8696   2.3888   1.0006   3.4641   1.7582  270.712   71.010  295.889   98.633 -25.17746 121.5353 
1 1 1   13   52    1 o  363.533   47.051   4.2550   0.8338   6.2034   1.1738   2.2704   1.1847  468.606   48.722  258.459   80.507 210.1471 94.10229 
1 1 1   13   52    3 o  472.044   46.158   6.8035   1.0659   5.3143   1.4942   8.3462   1.5208  407.506   74.049  536.581   55.129 -129.0755 92.31688 
1 1 1   13   52    5 o  281.498   48.415   2.5505   0.7049   1.9871   1.0135   3.0783   0.9809  245.675   74.085  317.322   62.348 -71.64677 96.82901 
1 1 1   13   52    7 o  263.004   48.536   2.2389   0.6620   2.0565   1.0242   2.3698   0.8676  249.091   74.329  276.918   62.434 -27.82701 97.07121 
1 1 1   13   52    9 o  294.817   65.455   3.2986   1.1859   4.5085   1.6643   2.0507   1.6902  351.528   91.280  238.106   93.836 113.4220 130.9093 
1 1 1   14    0    0 o  1689.58   67.924   74.009   5.8786   74.009   5.8786   0.0000   0.0000  1689.58   67.924  1689.58   67.924 0.000000 0.000000 
1 1 1   14    0    2 o  1292.19   67.567   43.590   4.4608   0.0000   0.0000   43.590   4.4608  1292.19   67.567  1292.19   67.567 0.000000 0.000000 
1 1 1   14    0    4 o  414.810   54.081   4.8549   1.0343   5.2643   1.5414   4.5197   1.3950  431.935   76.597  397.686   76.368 0.000000 0.000000 
1 1 1   14    0    6 o  887.817   67.888   20.779   3.0571   20.779   3.0571   0.0000   0.0000  887.817   67.888  887.817   67.888 0.000000 0.000000 
1 1 1   14    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   10 o  867.746   40.268   19.736   1.7737   19.421   2.5934   20.013   2.4312  860.498   59.266  874.994   54.530 0.000000 0.000000 
1 1 1   14    0   12 o  924.228   39.241   22.297   1.8488   21.665   2.5969   22.946   2.6327  910.695   55.947  937.761   55.040 -0.000000 0.000000 
1 1 1   14    0   14 o  1460.21   38.755   55.287   2.8986   56.651   4.0692   53.882   4.1298  1478.82   53.681  1441.61   55.912 0.000000 0.000000 
1 1 1   14    0   16 o  2894.79   38.617  216.355   5.7418  217.619   8.0609  215.053   8.1806  2903.51   54.042  2886.07   55.178 0.000000 0.000000 
1 1 1   14    0   18 o  953.720   39.359   23.684   1.9140   24.640   2.7264   22.756   2.6876  973.049   54.898  934.391   56.416 -0.000000 0.000000 
1 1 1   14    0   20 o  591.612   40.987   9.2836   1.2127   8.4040   1.6961   10.204   1.7345  561.297   60.558  621.928   55.249 0.000000 0.000000 
1 1 1   14    0   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   24 o  493.316   43.670   6.6032   1.0412   5.5789   1.4660   7.6459   1.4791  450.351   67.872  536.280   54.970 0.000000 0.000000 
1 1 1   14    0   26 o  281.578   52.012   2.4918   0.6608   1.7404   0.9314   3.2536   0.9378  222.079   85.884  341.077   58.693 -0.000000 0.000000 
1 1 1   14    0   28 o  316.688   52.535   3.0422   0.7370   3.6736   1.0312   2.3830   1.0536  363.283   60.178  270.094   86.130 0.000000 0.000000 
1 1 1   14    0   30 o  587.837   42.648   9.2062   1.2516   8.4144   1.7471   10.041   1.7938  560.267   62.662  615.408   57.870 0.000000 0.000000 
1 1 1   14    0   32 o  429.901   48.818   5.1876   0.9553   6.4410   1.3728   4.0105   1.3303  489.557   56.500  370.246   79.628 -0.000000 0.000000 
1 1 1   14    0   34 o   90.148   54.300   0.2079   0.4572   0.2079   0.4572   0.0000   0.0000   90.148   54.300   90.148   54.300 -0.000000 0.000000 
1 1 1   14    0   36 o  122.160   46.047   0.5553   0.3990   0.4300   0.5890   0.6616   0.5423  112.961   64.509  131.358   65.724 0.000000 0.000000 
1 1 1   14    0   38 o  390.273   67.813   4.3152   1.2376   0.0000   0.0000   4.3152   1.2376  390.273   67.813  390.273   67.813 -0.000000 0.000000 
1 1 1   14    0   40 o  687.902   61.503   12.684   2.1352   12.684   2.1352   0.0000   0.0000  687.902   61.503  687.902   61.503 0.000000 0.000000 
1 1 1   14    0   42 o  1692.02   59.098   75.495   5.1268   75.495   5.1268   0.0000   0.0000  1692.02   59.098  1692.02   59.098 0.000000 0.000000 
1 1 1   14    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   46 o  602.990   62.939   9.9603   1.9025   9.9603   1.9025   0.0000   0.0000  602.990   62.939  602.990   62.939 0.000000 0.000000 
1 1 1   14    0   48 o  219.005   82.308   1.7363   0.8663   0.0000   0.0000   1.7363   0.8663  219.005   82.308  219.005   82.308 -0.000000 0.000000 
1 1 1   14    0   50 o  918.687   62.248   22.971   2.9091   0.0000   0.0000   22.971   2.9091  918.687   62.248  918.687   62.248 -0.000000 0.000000 
1 1 1   14    0   52 o  398.570   73.295   4.7287   1.3521   0.0000   0.0000   4.7287   1.3521  398.570   73.295  398.570   73.295 -0.000000 0.000000 
1 1 1   14    0   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   56 o  209.199   83.218   1.7085   0.8647   0.0000   0.0000   1.7085   0.8647  209.199   83.218  209.199   83.218 -0.000000 0.000000 
1 1 1   14    1    1 o  1225.94   68.456   39.222   4.3147   0.0000   0.0000   39.222   4.3147  ?   ?   1225.94   68.456      ?      ? 
1 1 1   14    1    3 o  808.399   41.338   16.970   1.6040   17.051   2.8313   16.931   1.9464  808.183   68.141  808.614   46.819 -0.4311523 82.67564 
1 1 1   14    1    5 o  840.669   40.008   18.084   1.5912   19.112   2.9193   17.649   1.8980  855.646   66.360  825.692   44.710 29.95435 80.01638 
1 1 1   14    1    7 f  372.921   34.464   3.6150   0.6399   3.6421   0.8114   3.5704   1.0405  375.188   42.067  370.654   54.603 4.533783 68.92881 
1 1 1   14    1    9 o  191.124   39.450   0.9488   0.4100   0.8127   0.5431   1.1293   0.6252  176.885   54.416  205.363   57.133 -28.47845 78.90040 
1 1 1   14    1   11 o  1108.38   27.608   31.734   1.5729   30.852   2.2027   32.652   2.2468  1092.64   39.212  1124.12   38.876 -31.48071 55.21698 
1 1 1   14    1   13 o  1364.91   27.289   48.096   1.9148   47.872   2.6893   48.326   2.7270  1361.71   38.413  1368.10   38.771 -6.388184 54.57742 
1 1 1   14    1   15 o  1594.10   27.261   65.567   2.2334   67.619   3.1590   63.515   3.1580  1619.14   37.949  1569.06   39.147 50.07373 54.52187 
1 1 1   14    1   17 o  1512.43   27.417   58.999   2.1306   61.394   3.0154   56.611   3.0110  1543.18   38.006  1481.67   39.526 61.50659 54.83419 
1 1 1   14    1   19 f  1869.06   27.568   90.061   2.6490   90.965   3.7410   89.152   3.7515  1878.50   38.735  1859.61   39.239 18.88354 55.13684 
1 1 1   14    1   21 o  739.330   32.903   13.566   1.1979   15.973   2.0734   12.361   1.4676  786.331   51.286  692.330   41.232 94.00006 65.80544 
1 1 1   14    1   23 o  1151.18   34.869   34.730   1.9263   32.814   3.3496   35.678   2.3547  1126.05   57.858  1176.30   38.935 -50.25684 69.73893 
1 1 1   14    1   25 o  1644.25   28.055   69.758   2.3706   67.428   3.3512   72.092   3.3540  1616.67   40.319  1671.83   39.021 -55.16223 56.10928 
1 1 1   14    1   27 o  1175.82   28.295   35.701   1.7091   34.031   2.4161   37.374   2.4179  1148.17   40.929  1203.46   39.079 -55.29431 56.58905 
1 1 1   14    1   29 o  2160.28   28.361  120.546   3.1497  122.397   4.4571  118.701   4.4516  2176.91   39.824  2143.65   40.392 33.26563 56.72252 
1 1 1   14    1   31 f  1004.49   28.819   26.140   1.4823   23.326   2.0863   29.009   2.1065  949.496   42.737  1059.48   38.673 -109.9887 57.63700 
1 1 1   14    1   33 o  1892.83   57.257   93.531   5.5720   93.531   5.5720   0.0000   0.0000  1892.83   57.257  ?   ?       ?      ? 
1 1 1   14    1   35 o  681.426   35.521   12.089   1.1772   12.027   1.4461   12.211   2.0271  680.488   41.333  682.364   57.781 -1.875916 71.04232 
1 1 1   14    1   37 o  623.902   35.619   10.116   1.0868   9.9355   1.3390   10.464   1.8604  617.569   42.171  630.235   57.415 -12.66620 71.23817 
1 1 1   14    1   39 o  736.126   36.984   14.580   1.3123   15.208   1.6202   13.384   2.2374  763.078   41.298  709.174   61.365 53.90503 73.96715 
1 1 1   14    1   41 o  390.372   45.792   4.1676   0.8935   3.6567   1.2540   4.6944   1.2733  361.783   69.949  418.960   59.116 -57.17737 91.58387 
1 1 1   14    1   43 o  177.801   41.869   0.7176   0.4760   1.2843   0.7119   0.2594   0.6401  214.924   61.379  140.677   56.962 74.24690 83.73824 
1 1 1   14    1   45 f  219.880   64.646   1.3596   0.7794   0.0000   0.0000   1.3596   0.7794  ?   ?   219.880   64.646      ?      ? 
1 1 1   14    1   47 o  364.733   39.892   3.6559   0.6849   3.6344   0.8395   3.6988   1.1845  369.268   44.218  360.199   66.409 9.069214 79.78353 
1 1 1   14    1   49 o  371.878   40.230   3.9312   0.7021   4.1311   0.8738   3.5670   1.1794  392.944   43.252  350.812   67.846 42.13235 80.46021 
1 1 1   14    1   51 o  252.891   38.240   1.4823   0.4850   3.0812   0.8850   0.7958   0.5799  334.871   51.403  170.911   56.629 163.9600 76.47911 
1 1 1   14    1   53 o  336.935   50.101   3.4394   0.8592   2.5702   1.1934   4.3746   1.2379  284.072   78.898  389.797   61.772 -105.7248 100.2028 
1 1 1   14    1   55 f  175.395   39.637   0.9125   0.4024   0.6675   0.7094   1.0287   0.4887  162.898   61.688  187.893   49.789 -24.99516 79.27402 
1 1 1   14    2    0 o  1156.97   68.300   35.026   4.0302   0.0000   0.0000   35.026   4.0302  1156.97   68.300  1156.97   68.300 -0.000000 0.000000 
1 1 1   14    2    2 o  808.633   66.475   17.055   2.7636   0.0000   0.0000   17.055   2.7636  ?   ?   808.633   66.475      ?      ? 
1 1 1   14    2    4 f  535.738   46.198   7.5244   1.2544   7.2499   1.9234   7.7276   1.6547  526.479   71.061  544.997   59.055 -18.51764 92.39674 
1 1 1   14    2    6 o  1217.66   34.466   37.898   2.1212   35.657   2.7259   41.338   3.3774  1173.40   45.185  1261.91   52.057 -88.50549 68.93213 
1 1 1   14    2    8 o  391.872   29.190   3.9792   0.5870   4.2096   0.8244   3.7423   0.8360  403.488   39.742  380.257   42.763 23.23083 58.37899 
1 1 1   14    2   10 o  133.443   33.115   0.4059   0.2792   0.4075   0.3690   0.4039   0.4270  131.479   45.175  135.408   48.432 -3.929993 66.23046 
1 1 1   14    2   12 o  905.871   27.457   21.169   1.2779   20.143   1.7753   22.272   1.8409  883.093   39.102  928.649   38.558 -45.55597 54.91492 
1 1 1   14    2   14 o  516.455   27.527   6.8839   0.7301   6.4527   1.0251   7.3278   1.0400  499.991   39.877  532.920   37.958 -32.92899 55.05416 
1 1 1   14    2   16 o  210.140   29.622   1.1761   0.3128   0.8431   0.4394   1.5181   0.4453  177.597   47.285  242.682   35.693 -65.08495 59.24413 
1 1 1   14    2   18 o  213.275   29.603   1.2096   0.3167   1.4557   0.4452   0.9574   0.4506  237.666   36.432  188.884   46.671 48.78197 59.20667 
1 1 1   14    2   20 o  835.352   33.792   18.010   1.3715   18.027   2.3638   18.001   1.6838  835.073   55.058  835.632   39.193 -0.5595093 67.58356 
1 1 1   14    2   22 o  1448.28   39.401   54.080   2.9338   54.080   2.9338   0.0000   0.0000  1448.28   39.401  ?   ?       ?      ? 
1 1 1   14    2   24 o  442.321   40.706   5.6260   0.7929   3.9488   1.3709   6.4692   0.9720  383.741   72.133  500.902   37.746 -117.1608 81.41162 
1 1 1   14    2   26 o  863.974   28.209   19.261   1.2530   19.387   1.7741   19.136   1.7699  866.795   39.810  861.154   39.976 5.640991 56.41784 
1 1 1   14    2   28 o  1862.80   28.327   89.598   2.7124   87.526   3.8346   91.674   3.8373  1841.15   40.510  1884.45   39.607 -43.30688 56.65488 
1 1 1   14    2   30 o  468.412   29.051   5.6705   0.6996   5.7304   0.9897   5.6107   0.9891  470.895   40.878  465.929   41.290 4.965790 58.10249 
1 1 1   14    2   32 o  431.414   41.194   4.8467   0.9132   5.0614   1.3152   4.6468   1.2689  440.651   58.053  422.178   58.460 18.47327 82.38789 
1 1 1   14    2   34 o  664.693   41.667   11.618   1.4142   10.075   1.9983   13.167   2.0016  619.454   62.746  709.932   54.840 -90.47876 83.33359 
1 1 1   14    2   36 o  1266.12   35.535   42.001   2.1803   42.181   2.6750   41.646   3.7629  1273.79   40.847  1258.46   58.159 15.32727 71.07052 
1 1 1   14    2   38 o  154.705   34.078   0.5887   0.3445   1.0014   0.4493   0.0000   0.5366  191.893   46.113  117.516   50.187 74.37751 68.15534 
1 1 1   14    2   40 o  936.240   36.739   23.452   1.6603   24.042   2.0422   22.301   2.8511  958.514   41.442  913.966   60.675 44.54736 73.47710 
1 1 1   14    2   42 o  1012.60   42.163   27.598   2.1874   24.930   3.0810   30.310   3.1060  961.117   62.351  1064.08   56.775 -102.9677 84.32661 
1 1 1   14    2   44 o  696.769   61.232   13.200   2.1935   13.200   2.1935   0.0000   0.0000  696.769   61.232  ?   ?       ?      ? 
1 1 1   14    2   46 o  179.479   36.232   0.9578   0.3790   1.2692   0.4578   0.2796   0.6757  215.206   42.884  143.751   58.412 71.45518 72.46374 
1 1 1   14    2   48 o  322.464   39.445   2.6479   0.6153   2.0846   0.7509   3.7993   1.0736  272.137   55.548  372.790   56.018 -100.6529 78.88992 
1 1 1   14    2   50 f  304.162   43.837   2.9207   0.6339   3.4931   0.7828   1.8301   1.0805  361.046   42.171  247.278   76.865 113.7673 87.67342 
1 1 1   14    2   52 o  312.909   43.904   3.1657   0.6476   3.8402   0.8027   1.9074   1.0962  377.350   41.373  248.469   77.451 128.8804 87.80837 
1 1 1   14    2   54 o  172.816   41.787   0.7888   0.4261   1.0242   0.7419   0.6729   0.5206  188.388   64.066  157.244   53.668 31.14445 83.57452 
1 1 1   14    2   56 o  129.844   31.488   0.4354   0.2583   0.2998   0.3608   0.5781   0.3701  116.303   44.004  143.385   45.051 -27.08233 62.97571 
1 1 1   14    3    1 o  161.938   36.254   0.5764   0.3861   0.0000   0.5551   1.1166   0.5374  120.282   51.198  203.594   51.345 -83.31148 72.50874 
1 1 1   14    3    3 o  1066.03   66.315   29.656   3.6346   29.656   3.6346   0.0000   0.0000  1066.03   66.315  ?   ?       ?      ? 
1 1 1   14    3    5 o  1005.67   31.297   26.107   1.6154   27.463   2.3707   24.931   2.2072  1029.90   44.773  981.439   43.742 48.45752 62.59430 
1 1 1   14    3    7 o  991.082   29.656   25.412   1.5107   26.217   2.1487   24.624   2.1245  1006.67   41.516  975.492   42.361 31.18097 59.31270 
1 1 1   14    3    9 o  688.900   28.378   12.241   1.0035   11.317   1.3845   13.264   1.4565  661.526   40.707  716.273   39.550 -54.74646 56.75611 
1 1 1   14    3   11 o  1513.87   40.552   59.732   3.1372   61.325   4.2449   57.814   4.6570  1537.19   53.712  1490.55   60.770 46.63318 81.10459 
1 1 1   14    3   13 o  1420.23   27.496   52.122   2.0056   53.548   2.7991   50.618   2.8751  1440.38   37.798  1400.08   39.941 40.29834 54.99107 
1 1 1   14    3   15 o  2141.94   27.445  118.383   3.0212  120.456   4.2409  116.248   4.3052  2161.10   38.169  2122.78   39.447 38.32739 54.89039 
1 1 1   14    3   17 o  834.281   27.719   17.992   1.1829   15.822   1.6649   20.203   1.6810  783.223   41.347  885.338   36.930 -102.1150 55.43808 
1 1 1   14    3   19 o  826.565   34.298   17.901   1.3662   16.874   2.3553   18.421   1.6771  807.775   56.714  845.355   38.587 -37.57983 68.59673 
1 1 1   14    3   21 o  929.523   36.364   23.551   1.5837   25.751   1.9379   19.129   2.7481  999.526   37.711  859.520   62.188 140.0062 72.72882 
1 1 1   14    3   23 f  584.463   34.321   8.8362   0.9739   8.8635   1.1960   8.7826   1.6779  586.263   39.679  582.662   56.011 3.600891 68.64105 
1 1 1   14    3   25 o  1128.20   28.171   32.855   1.6318   34.995   2.3157   30.745   2.2998  1164.82   38.668  1091.57   40.979 73.24805 56.34247 
1 1 1   14    3   27 o  2084.95   28.244  112.207   3.0271  109.978   4.2797  114.438   4.2822  2064.15   40.328  2105.75   39.554 -41.60156 56.48811 
1 1 1   14    3   29 o  747.737   34.429   14.397   1.2572   14.226   1.5478   14.727   2.1551  742.081   40.569  753.394   55.639 -11.31262 68.85882 
1 1 1   14    3   31 o  1330.90   35.337   46.579   2.2706   47.867   2.7921   44.063   3.9017  1360.62   39.914  1301.18   58.324 59.44458 70.67413 
1 1 1   14    3   33 o  246.520   46.281   1.6285   0.5650   1.6285   0.5650   0.0000   0.0000  246.520   46.281  ?   ?       ?      ? 
1 1 1   14    3   35 o  676.080   41.835   12.024   1.4432   13.916   2.0674   10.225   2.0156  728.985   55.163  623.176   62.911 105.8084 83.67003 
1 1 1   14    3   37 o  360.562   37.289   3.3518   0.6542   3.2288   0.7984   3.6031   1.1413  351.798   44.145  369.326   60.109 -17.52750 74.57765 
1 1 1   14    3   39 o  694.362   35.911   12.657   1.2115   12.573   1.4867   12.823   2.0900  693.653   41.687  695.072   58.487 -1.419067 71.82297 
1 1 1   14    3   41 o  805.636   36.001   17.017   1.4143   16.648   1.7364   17.745   2.4378  796.415   42.406  814.856   58.189 -18.44067 72.00163 
1 1 1   14    3   43 o  381.977   43.748   3.8526   0.8591   3.8526   0.8591   0.0000   0.0000  381.977   43.748  ?   ?       ?      ? 
1 1 1   14    3   45 o  222.671   45.157   1.3931   0.5491   1.1452   0.7711   1.6482   0.7821  204.334   65.127  241.008   62.570 -36.67477 90.31393 
1 1 1   14    3   47 o  763.414   37.318   15.674   1.3878   15.463   1.7075   16.085   2.3825  761.968   43.586  764.860   60.586 -2.892883 74.63503 
1 1 1   14    3   49 o  449.260   40.067   5.7984   0.8517   6.3341   1.0554   4.7983   1.4420  486.973   42.154  411.548   68.150 75.42480 80.13342 
1 1 1   14    3   51 o  144.036   37.327   0.4883   0.3660   0.6132   0.4788   0.3127   0.5676  152.517   51.471  135.554   54.075 16.96268 74.65469 
1 1 1   14    3   53 o  458.076   44.096   5.7268   1.0385   5.7268   1.0385   0.0000   0.0000  458.076   44.096  ?   ?       ?      ? 
1 1 1   14    3   55 o  249.651   41.223   2.0826   0.5424   2.6273   0.6667   1.0158   0.9330  309.359   41.917  189.943   70.994 119.4162 82.44501 
1 1 1   14    4    0 o  683.863   48.824   12.253   1.6965   0.0000   0.0000   12.253   1.6965  683.863   48.824  683.863   48.824 -0.000000 0.000000 
1 1 1   14    4    2 o  504.171   47.888   6.6395   1.2220   8.2622   1.7786   5.1889   1.6817  563.233   61.423  445.109   73.485 118.1241 95.77525 
1 1 1   14    4    4 o  418.550   32.096   4.4990   0.6868   5.2224   1.0201   3.8990   0.9290  449.155   44.173  387.945   46.575 61.21045 64.19165 
1 1 1   14    4    6 o  471.313   31.142   5.8057   0.7472   5.0543   1.0814   6.4922   1.0337  441.566   47.635  501.059   40.128 -59.49329 62.28416 
1 1 1   14    4    8 o  1645.23   29.125   70.110   2.4598   72.269   3.4207   67.799   3.5396  1671.83   39.797  1618.63   42.534 53.19995 58.24925 
1 1 1   14    4   10 o  1208.34   34.100   37.667   2.0352   38.448   3.4010   37.231   2.5402  1216.74   54.367  1199.93   41.176 16.81177 68.20011 
1 1 1   14    4   12 o  800.042   40.328   16.671   1.6502   17.272   2.2484   15.969   2.4297  816.178   53.581  783.906   60.286 32.27155 80.65565 
1 1 1   14    4   14 o  508.460   27.654   6.6738   0.7223   6.7584   1.0055   6.5835   1.0384  511.834   38.212  505.085   39.987 6.748322 55.30894 
1 1 1   14    4   16 o  2714.65   27.508  190.038   3.8388  190.944   5.3959  189.109   5.4626  2721.27   38.568  2708.02   39.235 13.24829 55.01674 
1 1 1   14    4   18 o  1606.67   27.574   66.548   2.2776   65.860   3.2174   67.239   3.2247  1598.32   39.154  1615.01   38.837 -16.68091 55.14790 
1 1 1   14    4   20 o  1080.41   39.460   30.176   2.1917   29.709   3.0804   30.655   3.1191  1071.93   55.894  1088.89   55.715 -16.95789 78.91980 
1 1 1   14    4   22 o  888.336   28.057   20.367   1.2787   18.755   1.8010   22.006   1.8158  852.750   41.079  923.923   38.226 -71.17273 56.11345 
1 1 1   14    4   24 o  584.303   40.031   8.8426   1.2005   9.4829   1.7051   8.2132   1.6906  605.419   54.782  563.187   58.386 42.23163 80.06190 
1 1 1   14    4   26 o  1363.41   33.940   47.456   2.2609   46.191   2.7756   49.952   3.8977  1337.84   40.354  1388.98   54.582 -51.13745 67.87935 
1 1 1   14    4   28 o  295.996   39.043   2.4561   0.5407   2.7469   0.6694   1.9099   0.9174  326.173   39.916  265.819   67.114 60.35303 78.08665 
1 1 1   14    4   30 o  719.303   35.768   13.632   1.2406   14.085   1.5261   12.750   2.1304  738.291   40.205  700.315   59.168 37.97620 71.53540 
1 1 1   14    4   32 o  526.237   58.238   7.2221   1.5756   7.2221   1.5756   0.0000   0.0000  526.237   58.238  ?   ?       ?      ? 
1 1 1   14    4   34 f  846.424   34.328   18.025   1.4313   16.593   1.7570   20.850   2.4678  799.382   42.751  893.466   53.722 -94.08392 68.65630 
1 1 1   14    4   36 o  313.364   35.856   2.4264   0.5541   2.1009   0.6771   3.0863   0.9640  283.767   46.408  342.961   54.671 -59.19333 71.71210 
1 1 1   14    4   38 o  381.853   34.018   3.7625   0.5888   3.6958   0.6841   3.9531   1.1561  377.154   35.282  386.553   58.172 -9.399109 68.03539 
1 1 1   14    4   40 o  507.785   32.581   6.3111   0.7568   5.8085   0.8729   7.8318   1.5183  472.101   35.965  543.469   54.339 -71.36847 65.16283 
1 1 1   14    4   42 o  308.040   46.120   2.6959   0.7254   1.7360   1.0419   3.5990   1.0105  248.702   75.138  367.379   53.502 -118.6768 92.23998 
1 1 1   14    4   44 o  1121.26   34.291   33.278   1.7226   33.045   1.9963   33.956   3.4083  1123.38   34.564  1119.13   59.236 4.254517 68.58283 
1 1 1   14    4   46 o  814.966   37.636   17.993   1.4777   18.105   1.8074   17.767   2.5663  825.904   42.565  804.029   62.081 21.87506 75.27227 
1 1 1   14    4   48 o  259.029   40.605   1.8443   0.4961   1.7463   0.5967   2.0637   0.8927  251.107   47.971  266.951   65.528 -15.84373 81.21048 
1 1 1   14    4   50 o  258.090   42.523   1.8461   0.5213   1.7114   0.6255   2.1524   0.9432  246.443   51.044  269.736   68.023 -23.29248 85.04527 
1 1 1   14    4   52 o  118.590   43.475   0.3204   0.3468   0.3204   0.3468   0.0000   0.0000  118.590   43.475  ?   ?       ?      ? 
1 1 1   14    4   54 o  233.536   48.528   1.6582   0.6528   1.0237   0.9094   2.3325   0.9375  191.441   70.367  275.632   66.846 -84.19141 97.05682 
1 1 1   14    4   56 o  350.647   47.422   4.2705   0.7826   5.3550   0.9859   2.4239   1.2865  438.616   43.721  262.678   84.164 175.9375 94.84303 
1 1 1   14    5    1 o  1333.94   48.198   46.517   3.3036   45.797   4.7298   47.203   4.6163  1323.42   69.514  1344.46   66.785 -21.04419 96.39697 
1 1 1   14    5    3 o  408.213   47.630   4.5651   0.9393   3.7585   1.4552   5.1413   1.2298  371.535   78.635  444.891   53.766 -73.35626 95.25932 
1 1 1   14    5    5 o  2335.41   31.352  141.512   3.7473  137.927   5.5296  144.556   5.0960  2307.11   46.618  2363.70   41.934 -56.58350 62.70322 
1 1 1   14    5    7 o  1736.57   29.658   78.034   2.6475   78.557   3.7198   77.497   3.7691  1742.58   41.520  1730.55   42.362 12.03040 59.31676 
1 1 1   14    5    9 o  1297.03   28.528   43.550   1.8964   44.271   2.5942   42.723   2.7791  1308.89   38.551  1285.17   42.061 23.72131 57.05512 
1 1 1   14    5   11 o  148.692   29.112   0.5893   0.2299   0.6100   0.3120   0.5647   0.3401  150.964   39.678  146.420   42.610 4.543701 58.22375 
1 1 1   14    5   13 o  713.754   34.359   13.361   1.1964   12.572   2.0108   13.793   1.4885  696.484   56.156  731.024   39.606 -34.53943 68.71775 
1 1 1   14    5   15 o  788.765   27.728   16.047   1.1241   16.059   1.5701   16.034   1.6100  789.106   38.700  788.424   39.719 0.6816406 55.45516 
1 1 1   14    5   17 o  1931.56   27.666   96.191   2.7472   96.128   3.8606   96.255   3.9101  1930.96   38.888  1932.16   39.362 -1.197388 55.33191 
1 1 1   14    5   19 o  1977.27   39.409  101.094   4.0052  101.936   5.6182  100.224   5.7115  1985.78   55.029  1968.75   56.427 17.02637 78.81807 
1 1 1   14    5   21 o  2305.32   27.792  137.021   3.2939  138.283   4.6571  135.758   4.6595  2315.98   39.112  2294.67   39.495 21.30371 55.58452 
1 1 1   14    5   23 o  730.467   33.749   13.604   1.2040   13.230   1.4771   14.344   2.0784  716.196   40.116  744.737   54.283 -28.54108 67.49771 
1 1 1   14    5   25 o  953.329   39.836   23.580   1.9469   21.564   2.7566   25.586   2.7499  912.283   58.772  994.374   53.790 -82.09106 79.67181 
1 1 1   14    5   27 o  1255.40   34.866   41.316   2.1156   42.445   2.6035   39.120   3.6297  1282.40   39.488  1228.39   57.473 54.01196 69.73117 
1 1 1   14    5   29 o  2302.27   34.108  135.228   3.8426  130.917   4.7204  143.698   6.6161  2250.99   40.789  2353.56   54.677 -102.5691 68.21510 
1 1 1   14    5   31 o  1036.72   40.279   27.965   2.1466   28.576   3.0574   27.371   3.0146  1047.94   56.747  1025.51   57.178 22.43555 80.55717 
1 1 1   14    5   33 o  521.728   36.358   7.2058   0.9126   7.4373   1.1202   6.7489   1.5736  535.668   40.674  507.788   60.276 27.88077 72.71568 
1 1 1   14    5   35 o  211.087   38.538   1.2302   0.4095   1.3072   0.5041   1.0808   0.7021  220.036   46.038  202.138   61.816 17.89746 77.07550 
1 1 1   14    5   37 o  282.291   35.525   1.9615   0.4504   1.7761   0.5211   2.5081   0.8950  261.317   38.790  303.265   59.527 -41.94803 71.04977 
1 1 1   14    5   39 o  765.231   33.846   15.285   1.1594   15.178   1.3420   15.601   2.3026  764.066   34.162  766.397   58.438 -2.330261 67.69109 
1 1 1   14    5   41 o   96.110   28.290   0.0663   0.2257   0.1034   0.2819   0.0000   0.3766   93.762   37.861   98.457   42.047 -4.695595 56.58043 
1 1 1   14    5   43 o  1194.49   34.425   37.307   2.1141   37.307   2.1141   0.0000   0.0000  1194.49   34.425  ?   ?       ?      ? 
1 1 1   14    5   45 o  370.649   44.276   4.2312   0.7302   4.9878   0.8994   2.7683   1.2508  434.560   40.258  306.738   78.871 127.8221 88.55174 
1 1 1   14    5   47 o  331.313   40.179   3.2678   0.5551   3.4925   0.6423   2.6040   1.1039  364.508   34.272  298.118   72.682 66.39075 80.35718 
1 1 1   14    5   49 f  497.760   41.310   7.2473   0.9537   8.0146   1.1712   5.7371   1.6431  547.893   41.577  447.628   71.397 100.2645 82.62067 
1 1 1   14    5   51 o  198.928   39.799   1.0813   0.4822   1.8391   0.6800   0.3147   0.6839  253.783   53.785  144.073   58.678 109.7101 79.59868 
1 1 1   14    5   53 o  204.066   42.465   1.1958   0.4531   1.1429   0.5482   1.3101   0.8053  198.518   52.793  209.613   66.529 -11.09557 84.93100 
1 1 1   14    5   55 o  268.052   43.211   2.0358   0.5572   1.7039   0.6784   2.7239   0.9767  238.997   56.159  297.106   65.688 -58.10841 86.42143 
1 1 1   14    6    0 o  1743.73   67.455   79.156   6.0268   79.156   6.0268   0.0000   0.0000  1743.73   67.455  1743.73   67.455 0.000000 0.000000 
1 1 1   14    6    2 o  1415.30   59.449   52.158   4.3257   0.0000   0.0000   52.158   4.3257  ?   ?   1415.30   59.449      ?      ? 
1 1 1   14    6    4 o  718.792   35.848   13.401   1.3165   13.348   1.7644   13.468   1.9773  717.555   47.827  720.028   53.413 -2.473022 71.69632 
1 1 1   14    6    6 o  982.159   34.709   24.925   1.7163   24.565   2.2066   25.477   2.7310  974.053   44.062  990.265   53.641 -16.21167 69.41745 
1 1 1   14    6    8 o  904.863   33.286   20.820   1.4826   19.908   1.8295   22.564   2.5304  877.451   40.555  932.276   52.793 -54.82513 66.57191 
1 1 1   14    6   10 o  597.659   28.813   9.2905   0.8791   9.9281   1.2027   8.5589   1.2883  620.048   37.729  575.270   43.557 44.77747 57.62555 
1 1 1   14    6   12 o  1155.61   36.078   34.531   1.9331   34.471   2.2844   34.682   3.6277  1155.64   38.449  1155.59   61.059 0.4199219E-01 72.15685 
1 1 1   14    6   14 o  600.426   27.922   9.2847   0.8610   8.6934   1.1931   9.9273   1.2436  580.484   39.977  620.368   38.992 -39.88428 55.84418 
1 1 1   14    6   16 o  1110.46   27.808   31.818   1.5864   32.507   2.2164   31.094   2.2717  1122.88   38.392  1098.05   40.240 24.83459 55.61696 
1 1 1   14    6   18 o  3665.76   55.122  347.392   10.389  347.392   10.389   0.0000   0.0000  3665.76   55.122  ?   ?       ?      ? 
1 1 1   14    6   20 o  1030.76   34.381   27.825   1.7091   28.613   2.0994   26.276   2.9434  1053.54   38.758  1007.98   56.797 45.56140 68.76099 
1 1 1   14    6   22 o  1189.41   33.886   36.448   1.9606   36.271   2.4076   36.796   3.3779  1186.00   39.485  1192.81   55.082 -6.815674 67.77251 
1 1 1   14    6   24 o  154.174   35.287   0.5137   0.3422   0.1609   0.4612   0.9459   0.5104  120.075   48.445  188.273   51.321 -68.19784 70.57478 
1 1 1   14    6   26 o  885.262   34.862   20.467   1.4919   20.874   1.8326   19.668   2.5692  899.371   39.632  871.153   57.364 28.21741 69.72305 
1 1 1   14    6   28 o  2093.95   34.165  112.114   3.4946  109.224   4.2900  117.815   6.0248  2056.39   40.577  2131.51   54.977 -75.12402 68.33011 
1 1 1   14    6   30 o  589.979   35.993   9.2570   1.0197   9.7248   1.2558   8.3518   1.7468  613.415   39.821  566.544   59.970 46.87152 71.98636 
1 1 1   14    6   32 o  474.781   41.304   5.8392   1.0082   5.8392   1.0082   0.0000   0.0000  474.781   41.304  ?   ?       ?      ? 
1 1 1   14    6   34 o  469.836   32.692   5.5580   0.6985   5.3552   0.8094   6.1499   1.3827  454.848   34.614  484.824   55.470 -29.97595 65.38376 
1 1 1   14    6   36 o  301.388   37.058   2.0957   0.5294   1.3341   0.6363   3.8080   0.9542  221.120   55.934  381.657   48.627 -160.5376 74.11607 
1 1 1   14    6   38 o  763.715   33.316   14.937   1.1438   14.571   1.3210   16.031   2.2861  748.971   34.306  778.459   57.121 -29.48877 66.63110 
1 1 1   14    6   40 o  198.869   35.252   0.9198   0.3201   0.7473   0.3656   1.4860   0.6624  165.755   42.649  231.983   56.143 -66.22795 70.50500 
1 1 1   14    6   42 o  479.869   61.710   6.2213   1.5225   6.2213   1.5225   0.0000   0.0000  479.869   61.710  ?   ?       ?      ? 
1 1 1   14    6   44 o  594.243   32.738   8.6143   0.8895   7.7920   1.0236   11.151   1.7979  544.802   36.544  643.685   54.329 -98.88318 65.47594 
1 1 1   14    6   46 o  423.503   33.615   4.2819   0.6456   3.7698   0.7370   5.9711   1.3385  378.031   37.919  468.974   55.516 -90.94345 67.22948 
1 1 1   14    6   48 o  250.148   38.529   1.6360   0.4376   1.4792   0.5094   2.0777   0.8549  231.695   44.382  268.600   62.994 -36.90520 77.05838 
1 1 1   14    6   50 o  334.111   42.394   3.0782   0.6546   2.9402   0.7812   3.4036   1.1994  329.664   46.092  338.557   71.166 -8.893280 84.78888 
1 1 1   14    6   52 o  161.582   58.861   0.6574   0.6343   0.6574   0.6343   0.0000   0.0000  161.582   58.861  ?   ?       ?      ? 
1 1 1   14    6   54 o  148.189   39.337   0.5206   0.4119   0.3419   0.6104   0.6700   0.5581  138.424   55.775  157.953   55.486 -19.52824 78.67342 
1 1 1   14    6   56 o  124.939   33.765   0.3482   0.2988   0.3484   0.3879   0.3480   0.4684  122.234   45.759  127.643   49.662 -5.409126 67.52927 
1 1 1   14    7    1 o  1442.63   64.793   54.331   4.8056   0.0000   0.0000   54.331   4.8056  ?   ?   1442.63   64.793      ?      ? 
1 1 1   14    7    3 o  824.873   42.394   17.608   1.7979   0.0000   0.0000   17.608   1.7979  ?   ?   824.873   42.394      ?      ? 
1 1 1   14    7    5 o  365.240   42.841   3.4559   0.7812   4.0030   1.2174   3.0729   1.0186  391.986   60.406  338.495   60.766 53.49173 85.68163 
1 1 1   14    7    7 o  372.609   38.777   3.6100   0.7415   3.3458   1.0448   3.8782   1.0525  358.730   56.647  386.489   52.970 -27.75919 77.55476 
1 1 1   14    7    9 o  324.841   35.687   2.7993   0.5464   2.8460   0.6728   2.7088   0.9363  331.894   39.427  317.789   59.495 14.10562 71.37328 
1 1 1   14    7   11 o  1859.26   33.870   89.460   3.0420   89.494   3.7149   89.389   5.2998  1861.88   38.808  1856.64   55.522 5.234985 67.74015 
1 1 1   14    7   13 o  1079.58   54.750   30.171   3.0389   30.171   3.0389   0.0000   0.0000  1079.58   54.750  ?   ?       ?      ? 
1 1 1   14    7   15 o  2757.81   35.119  196.991   4.5808  197.785   5.4979  195.189   8.2833  2769.63   38.611  2745.99   58.673 23.63867 70.23733 
1 1 1   14    7   17 o  825.844   55.145   17.632   2.3414   17.632   2.3414   0.0000   0.0000  825.844   55.145  ?   ?       ?      ? 
1 1 1   14    7   19 o  717.719   35.123   13.585   1.2009   14.096   1.4629   12.531   2.1028  739.479   38.479  695.959   58.769 43.52014 70.24516 
1 1 1   14    7   21 f  237.492   34.025   1.2652   0.3943   0.7830   0.4731   2.3614   0.7133  172.518   50.266  302.465   45.869 -129.9473 68.04933 
1 1 1   14    7   23 o  1017.00   33.939   26.431   1.6819   25.837   2.0607   27.615   2.9112  1000.83   40.048  1033.17   54.805 -32.33521 67.87840 
1 1 1   14    7   25 o  231.748   37.598   1.4235   0.4186   1.3897   0.5108   1.4927   0.7303  228.003   45.171  235.492   60.117 -7.489487 75.19600 
1 1 1   14    7   27 o  1484.52   32.655   57.247   2.1624   57.526   2.5032   56.428   4.2926  1493.80   32.593  1475.24   56.596 18.56116 65.30973 
1 1 1   14    7   29 o  748.698   34.021   15.130   1.1223   15.773   1.3050   13.304   2.1995  782.013   32.459  715.383   59.802 66.62964 68.04294 
1 1 1   14    7   31 o  250.223   44.701   1.6705   0.5540   1.6705   0.5540   0.0000   0.0000  250.223   44.701  ?   ?       ?      ? 
1 1 1   14    7   33 o  661.968   33.369   11.348   0.9907   11.297   1.1477   11.497   1.9620  660.934   33.776  663.002   57.560 -2.068176 66.73826 
1 1 1   14    7   35 f  1455.07   35.425   55.412   2.5067   55.596   3.0858   55.056   4.2983  1462.52   41.039  1447.62   57.753 14.90076 70.84921 
1 1 1   14    7   37 o  1248.54   33.794   40.959   1.8790   41.105   2.1744   40.529   3.7337  1258.73   33.600  1238.35   58.644 20.38000 67.58730 
1 1 1   14    7   39 o  513.956   34.377   7.0131   0.7917   7.0801   0.9209   6.8232   1.5503  521.711   34.331  506.202   59.569 15.50848 68.75414 
1 1 1   14    7   41 o  306.314   45.331   2.5989   0.7045   3.1575   0.9981   2.0443   0.9945  343.751   56.476  268.878   70.923 74.87305 90.66219 
1 1 1   14    7   43 f  179.438   37.094   0.7825   0.3116   0.7079   0.3496   1.0702   0.6870  160.904   41.865  197.972   61.247 -37.06770 74.18813 
1 1 1   14    7   45 o  522.067   37.129   7.2721   0.9413   7.1322   1.1524   7.5526   1.6318  518.420   43.236  525.714   60.373 -7.294006 74.25839 
1 1 1   14    7   47 o  353.511   34.522   3.0374   0.5521   2.7167   0.6307   4.0886   1.1419  320.519   38.275  386.502   57.464 -65.98322 69.04449 
1 1 1   14    7   49 o  339.133   41.345   3.4737   0.5924   3.7372   0.6907   2.7405   1.1521  375.833   35.745  302.432   74.566 73.40002 82.69076 
1 1 1   14    7   51 o  334.936   72.771   3.3917   1.2173   3.3917   1.2173   0.0000   0.0000  334.936   72.771  ?   ?       ?      ? 
1 1 1   14    7   53 o  315.700   40.835   2.4839   0.6104   1.7512   0.7238   4.2876   1.1357  243.264   58.575  388.136   56.911 -144.8720 81.66930 
1 1 1   14    7   55 o  232.296   50.241   1.6669   0.6838   1.0496   0.9285   2.3987   1.0109  190.899   70.927  273.692   71.175 -82.79234 100.4813 
1 1 1   14    8    0 f  595.914   49.302   9.3546   1.4867   9.3546   1.4867   0.0000   0.0000  595.914   49.302  595.914   49.302 0.000000 0.000000 
1 1 1   14    8    2 f  229.182   67.754   1.3946   0.8540   1.3946   0.8540   0.0000   0.0000  229.182   67.754  ?   ?       ?      ? 
1 1 1   14    8    4 o  708.502   49.204   13.132   1.7915   13.137   2.4958   13.127   2.5729  708.834   68.485  708.171   70.668 0.6633301 98.40839 
1 1 1   14    8    6 o  552.764   44.068   7.8295   1.2273   7.3383   1.5656   8.6125   1.9767  531.223   57.324  574.305   66.946 -43.08197 88.13502 
1 1 1   14    8    8 o  856.460   43.992   19.411   1.8672   20.423   2.3832   17.804   3.0048  887.404   52.236  825.515   70.798 61.88898 87.98322 
1 1 1   14    8   10 o  881.299   54.133   20.134   2.4528   20.134   2.4528   0.0000   0.0000  881.299   54.133  ?   ?       ?      ? 
1 1 1   14    8   12 o  425.931   54.813   4.6971   1.2003   4.6971   1.2003   0.0000   0.0000  425.931   54.813  ?   ?       ?      ? 
1 1 1   14    8   14 o  1085.72   54.793   30.490   3.0585   30.490   3.0585   0.0000   0.0000  1085.72   54.793  ?   ?       ?      ? 
1 1 1   14    8   16 o  1139.61   39.292   33.483   2.3021   33.483   2.3021   0.0000   0.0000  1139.61   39.292  ?   ?       ?      ? 
1 1 1   14    8   18 o  1491.56   32.078   57.299   2.4599   57.299   2.4599   0.0000   0.0000  1491.56   32.078  ?   ?       ?      ? 
1 1 1   14    8   20 o  1518.20   31.835   58.249   2.1618   57.028   2.4900   61.989   4.3565  1487.94   32.550  1548.46   54.722 -60.52539 63.67099 
1 1 1   14    8   22 o  1011.99   32.524   26.536   1.4660   26.631   1.6952   26.253   2.9201  1016.72   32.430  1007.26   56.387 9.459900 65.04764 
1 1 1   14    8   24 o  1535.13   32.104   60.460   2.2105   60.039   2.5584   61.698   4.3907  1526.42   32.601  1543.85   55.317 -17.43347 64.20856 
1 1 1   14    8   26 o  1088.30   31.858   29.844   1.5672   29.043   1.8130   32.211   3.1172  1061.42   33.223  1115.19   54.368 -53.76306 63.71550 
1 1 1   14    8   28 o  479.455   31.743   5.6340   0.6994   5.2848   0.8111   6.6465   1.3812  452.581   34.859  506.328   53.059 -53.74719 63.48585 
1 1 1   14    8   30 f  917.000   40.678   21.748   1.9178   21.748   1.9178   0.0000   0.0000  917.000   40.678  ?   ?       ?      ? 
1 1 1   14    8   32 o  907.863   36.591   22.260   1.5812   23.830   1.9455   19.203   2.7143  959.233   39.448  856.492   61.640 102.7406 73.18224 
1 1 1   14    8   34 o  534.055   34.127   7.4573   0.8131   7.4798   0.9414   7.3913   1.6134  537.520   34.065  530.590   59.145 6.930176 68.25374 
1 1 1   14    8   36 o  758.830   35.437   14.942   1.3148   14.634   1.6186   15.540   2.2544  749.537   42.003  768.122   57.085 -18.58551 70.87337 
1 1 1   14    8   38 o  742.733   36.340   15.351   1.1667   16.170   1.3512   12.952   2.3129  789.050   33.308  696.416   64.597 92.63336 72.67912 
1 1 1   14    8   40 o  565.416   37.882   8.6301   1.0343   8.9375   1.2771   8.0440   1.7634  583.618   42.562  547.214   62.678 36.40356 75.76311 
1 1 1   14    8   42 o  622.092   43.248   10.207   1.3832   10.207   1.3832   0.0000   0.0000  622.092   43.248  ?   ?       ?      ? 
1 1 1   14    8   44 o  205.179   37.003   1.2349   0.3741   1.3710   0.4320   0.8267   0.7483  228.424   36.787  181.934   64.216 46.49094 74.00671 
1 1 1   14    8   46 o  586.940   37.100   9.0687   1.0595   8.5860   1.2898   10.070   1.8575  567.713   44.191  606.168   59.604 -38.45477 74.19919 
1 1 1   14    8   48 f  506.232   40.019   7.5802   0.8457   8.0962   0.9741   5.9998   1.7047  554.324   34.179  458.140   72.373 96.18387 80.03797 
1 1 1   14    8   50 o  362.130   37.517   3.3809   0.6620   2.9317   0.7978   4.3740   1.1862  328.516   47.234  395.744   58.302 -67.22861 75.03487 
1 1 1   14    8   52 o  662.356   36.431   12.250   1.0669   12.327   1.2362   12.026   2.1126  679.598   35.380  645.113   63.696 34.48517 72.86259 
1 1 1   14    8   54 o  384.414   50.923   4.5939   0.9772   3.7898   1.3794   5.4040   1.3845  340.651   80.107  428.177   62.894 -87.52570 101.8465 
1 1 1   14    8   56 o  478.568   46.078   7.2349   1.0017   7.7105   1.2330   6.3114   1.7182  523.089   45.847  434.047   79.942 89.04135 92.15537 
1 1 1   14    9    1 o  577.903   40.672   8.6943   1.0835   8.7027   1.2770   8.6727   2.0475  579.924   42.829  575.881   69.155 4.042908 81.34332 
1 1 1   14    9    3 o  1569.85   39.534   61.921   2.8756   59.290   3.3658   69.032   5.5334  1513.65   43.251  1626.05   66.190 -112.3983 79.06756 
1 1 1   14    9    5 o  952.151   38.388   22.848   1.4994   22.404   1.6681   24.715   3.4217  931.617   34.827  972.684   68.423 -41.06738 76.77595 
1 1 1   14    9    7 o  1240.10   36.556   38.020   1.8365   36.926   2.0305   42.939   4.3056  1196.44   33.010  1283.76   65.236 -87.31030 73.11177 
1 1 1   14    9    9 o  832.732   38.336   18.446   1.2679   18.730   1.4086   17.233   2.9099  852.328   32.146  813.137   69.607 39.19049 76.67120 
1 1 1   14    9   11 o  1886.44   36.860   89.555   3.1847   86.666   3.7078   97.678   6.2183  1832.70   39.351  1940.17   62.339 -107.4717 73.72058 
1 1 1   14    9   13 o  488.965   36.686   6.0861   0.8309   5.9660   0.9770   6.3999   1.5796  480.962   39.512  496.967   61.823 -16.00500 73.37115 
1 1 1   14    9   15 o  928.679   55.279   22.301   2.6394   22.301   2.6394   0.0000   0.0000  928.679   55.279  ?   ?       ?      ? 
1 1 1   14    9   17 f  1141.50   39.411   33.592   2.3129   33.592   2.3129   0.0000   0.0000  1141.50   39.411  ?   ?       ?      ? 
1 1 1   14    9   19 o  1051.80   32.125   28.494   1.7372   28.494   1.7372   0.0000   0.0000  1051.80   32.125  ?   ?       ?      ? 
1 1 1   14    9   21 o  1337.94   39.433   46.160   2.7125   46.160   2.7125   0.0000   0.0000  1337.94   39.433  ?   ?       ?      ? 
1 1 1   14    9   23 o  344.827   32.277   2.8792   0.4985   2.6994   0.5697   3.4667   1.0298  323.633   34.240  366.022   54.726 -42.38831 64.55457 
1 1 1   14    9   25 f  2174.45   34.060  120.983   3.6142  118.322   4.4357  126.240   6.2344  2141.11   40.295  2207.79   54.924 -66.67773 68.12029 
1 1 1   14    9   27 o  550.832   34.065   8.1315   0.8295   8.4242   0.9641   7.2976   1.6273  571.574   32.808  530.090   59.710 41.48450 68.13011 
1 1 1   14    9   29 o  766.468   40.730   15.186   1.6050   15.186   1.6050   0.0000   0.0000  766.468   40.730  ?   ?       ?      ? 
1 1 1   14    9   31 o  680.340   35.334   12.032   1.1680   12.039   1.4351   12.020   2.0104  681.821   40.938  678.860   57.601 2.961182 70.66720 
1 1 1   14    9   33 o  1103.37   32.590   30.816   1.6197   29.933   1.8701   33.467   3.2404  1075.61   33.817  1131.12   55.721 -55.50940 65.17959 
1 1 1   14    9   35 o  350.168   36.559   3.1023   0.6342   2.8326   0.7836   3.6143   1.0797  329.501   46.254  370.835   56.629 -41.33395 73.11861 
1 1 1   14    9   37 o  214.211   36.659   1.3130   0.3800   1.4493   0.4454   0.9480   0.7289  236.076   36.695  192.346   63.475 43.72937 73.31898 
1 1 1   14    9   39 o  257.295   33.313   1.4324   0.3927   1.0127   0.4517   2.7312   0.7946  192.551   46.216  322.039   47.992 -129.4885 66.62684 
1 1 1   14    9   41 o  797.013   42.639   16.713   1.7472   16.713   1.7472   0.0000   0.0000  797.013   42.639  ?   ?       ?      ? 
1 1 1   14    9   43 o  280.903   38.968   2.1542   0.4702   2.1489   0.5371   2.1717   0.9729  286.200   36.503  275.606   68.858 10.59454 77.93546 
1 1 1   14    9   45 o  519.360   40.273   7.7108   0.9823   8.4850   1.2126   6.2325   1.6756  565.862   41.680  472.858   68.923 93.00348 80.54562 
1 1 1   14    9   47 o  243.393   38.762   1.5772   0.4173   1.5204   0.4743   1.7718   0.8780  239.644   38.499  247.142   67.288 -7.497360 77.52313 
1 1 1   14    9   49 o  265.523   39.326   2.0334   0.4666   2.0974   0.5417   1.8493   0.9186  281.006   37.495  250.041   69.139 30.96426 78.65154 
1 1 1   14    9   51 o  209.995   48.236   1.2510   0.5098   1.2510   0.5098   0.0000   0.0000  209.995   48.236  ?   ?       ?      ? 
1 1 1   14    9   53 o  204.992   39.241   1.2838   0.3905   1.3664   0.4437   0.9997   0.8229  221.494   40.451  188.489   67.255 33.00549 78.48219 
1 1 1   14    9   55 o  265.931   49.562   2.2907   0.7039   2.8232   0.9828   1.7299   1.0085  301.624   65.273  230.237   74.599 71.38696 99.12430 
1 1 1   14   10    0 o  709.508   72.387   13.453   2.5775   0.0000   0.0000   13.453   2.5775  709.508   72.387  709.508   72.387 -0.000000 0.000000 
1 1 1   14   10    2 o  705.135   42.443   12.861   1.5387   12.861   1.5387   0.0000   0.0000  705.135   42.443  ?   ?       ?      ? 
1 1 1   14   10    4 o  884.238   39.442   19.343   1.6104   18.215   1.8746   22.519   3.1457  839.161   43.451  929.316   65.838 -90.15509 78.88418 
1 1 1   14   10    6 o  398.837   37.484   3.9412   0.6012   3.8357   0.6635   4.4251   1.4211  385.617   33.467  412.057   67.082 -26.43939 74.96701 
1 1 1   14   10    8 o  796.827   38.576   16.698   1.2202   16.840   1.3530   16.079   2.8246  808.169   32.563  785.486   69.944 22.68262 77.15237 
1 1 1   14   10   10 o  1945.32   38.865   97.891   3.4271   97.782   3.9956   98.193   6.6659  1946.60   39.924  1944.04   66.693 2.568481 77.72993 
1 1 1   14   10   12 o  1731.59   37.175   76.260   2.9464   74.784   3.4391   80.331   5.7132  1702.85   39.282  1760.33   63.127 -57.47913 74.35094 
1 1 1   14   10   14 o  618.648   55.678   9.8978   1.7709   9.8978   1.7709   0.0000   0.0000  618.648   55.678  ?   ?       ?      ? 
1 1 1   14   10   16 o  484.399   37.264   6.2105   0.8369   6.4200   0.9984   5.7153   1.5351  499.042   38.911  469.756   63.563 29.28632 74.52779 
1 1 1   14   10   18 o  241.316   34.852   1.1905   0.4013   0.6897   0.4660   2.6274   0.7894  163.622   50.416  319.009   48.133 -155.3866 69.70327 
1 1 1   14   10   20 o  1637.91   39.574   69.177   3.3325   69.177   3.3325   0.0000   0.0000  1637.91   39.574  ?   ?       ?      ? 
1 1 1   14   10   22 o  1180.83   32.389   35.925   1.9663   35.925   1.9663   0.0000   0.0000  1180.83   32.389  ?   ?       ?      ? 
1 1 1   14   10   24 o  910.333   32.608   21.358   1.5261   21.358   1.5261   0.0000   0.0000  910.333   32.608  ?   ?       ?      ? 
1 1 1   14   10   26 o  724.458   32.940   13.532   1.2269   13.532   1.2269   0.0000   0.0000  724.458   32.940  ?   ?       ?      ? 
1 1 1   14   10   28 o  583.776   35.618   8.9123   1.0043   9.0762   1.2321   8.5879   1.7334  592.670   40.436  574.882   58.647 17.78857 71.23584 
1 1 1   14   10   30 o  1792.18   32.978   83.711   2.6347   84.143   3.0499   82.442   5.2308  1805.27   32.860  1779.10   57.187 26.16980 65.95612 
1 1 1   14   10   32 o  2430.53   35.227  154.653   4.1470  156.352   5.0932  151.312   7.1431  2455.80   40.339  2405.26   57.763 50.53809 70.45468 
1 1 1   14   10   34 o  1084.84   34.240   31.453   1.6458   32.225   1.9102   29.226   3.2427  1115.63   33.303  1054.06   59.837 61.57129 68.48069 
1 1 1   14   10   36 o  864.579   37.806   20.562   1.5452   22.333   1.9018   17.122   2.6505  926.187   39.939  802.972   64.202 123.2145 75.61107 
1 1 1   14   10   38 o  982.100   33.815   25.142   1.4874   24.922   1.7213   25.791   2.9554  978.981   34.198  985.219   58.346 -6.238708 67.62952 
1 1 1   14   10   40 o  217.807   49.524   1.3030   0.5420   1.3030   0.5420   0.0000   0.0000  217.807   49.524  ?   ?       ?      ? 
1 1 1   14   10   42 o  716.932   36.149   13.175   1.2735   11.991   1.5571   15.567   2.2133  673.165   44.991  760.698   56.593 -87.53351 72.29745 
1 1 1   14   10   44 o  437.183   33.928   4.6452   0.6783   4.1586   0.7796   6.1613   1.3760  397.341   38.164  477.026   56.108 -79.68460 67.85673 
1 1 1   14   10   46 o  424.533   37.939   4.4618   0.7870   3.5700   0.9493   6.4219   1.4073  363.801   50.752  485.264   56.407 -121.4634 75.87876 
1 1 1   14   10   48 o  333.661   36.923   2.9493   0.5421   2.8154   0.6276   3.3431   1.0760  325.912   37.457  341.409   63.642 -15.49744 73.84685 
1 1 1   14   10   50 o  312.017   46.455   2.6453   0.7452   2.6453   0.7452   0.0000   0.0000  312.017   46.455  ?   ?       ?      ? 
1 1 1   14   10   52 o  415.649   38.310   4.8124   0.7076   4.7734   0.8192   4.9270   1.4042  421.457   37.807  409.841   66.643 11.61542 76.62014 
1 1 1   14   10   54 o  354.094   35.060   2.9090   0.5672   2.2557   0.6457   5.1150   1.1866  285.771   43.950  422.418   54.637 -136.6467 70.12029 
1 1 1   14   11    1 o  683.832   41.929   12.384   1.3236   12.694   1.5712   11.627   2.4563  700.578   43.621  667.086   71.621 33.49231 83.85882 
1 1 1   14   11    3 o  1215.23   40.578   37.957   2.2469   37.505   2.6209   39.210   4.3645  1204.54   42.321  1225.92   69.248 -21.37708 81.15608 
1 1 1   14   11    5 o  1983.81   38.876  101.308   3.0347  100.883   3.3459  103.277   7.2067  1977.84   32.904  1989.78   70.447 -11.93604 77.75272 
1 1 1   14   11    7 o  1994.59   38.247  102.212   3.0418  101.712   3.3654  104.440   7.1084  1986.26   32.956  2002.91   69.031 -16.65466 76.49393 
1 1 1   14   11    9 o  1849.89   37.485   88.022   2.7965   87.696   3.1053   89.422   6.4324  1844.67   32.743  1855.11   67.442 -10.44385 74.97007 
1 1 1   14   11   11 f  1878.10   38.018   89.901   3.2217   88.494   3.7332   94.007   6.3772  1852.40   39.199  1903.81   65.153 -51.41077 76.03602 
1 1 1   14   11   13 o  1109.00   32.103   31.679   1.8304   31.679   1.8304   0.0000   0.0000  1109.00   32.103  ?   ?       ?      ? 
1 1 1   14   11   15 o  1387.56   33.834   48.028   1.9912   46.798   2.2378   52.704   4.3633  1347.94   32.291  1427.18   59.466 -79.23694 67.66807 
1 1 1   14   11   17 f  1089.39   33.657   30.270   1.5756   29.975   1.7865   31.305   3.3427  1078.80   32.210  1099.97   59.107 -21.17603 67.31359 
1 1 1   14   11   19 o  1888.48   34.674   89.902   3.1457   86.159   3.7848   98.265   5.6572  1827.87   40.274  1949.09   56.455 -121.2229 69.34785 
1 1 1   14   11   21 o  1039.61   40.239   27.961   2.1500   27.525   2.9923   28.427   3.0911  1031.28   56.437  1047.94   57.373 -16.65698 80.47839 
1 1 1   14   11   23 o  1880.30   34.338   90.073   3.1332   87.519   3.8172   95.347   5.4853  1841.64   40.316  1918.96   55.598 -77.32043 68.67677 
1 1 1   14   11   25 o  788.531   57.551   16.122   2.3331   16.122   2.3331   0.0000   0.0000  788.531   57.551  ?   ?       ?      ? 
1 1 1   14   11   27 o  1217.23   40.205   38.276   2.5161   38.276   2.5161   0.0000   0.0000  1217.23   40.205  ?   ?       ?      ? 
1 1 1   14   11   29 o  102.273   38.014   0.2063   0.2668   0.2063   0.2668   0.0000   0.0000  102.273   38.014  ?   ?       ?      ? 
1 1 1   14   11   31 o  1591.63   35.155   65.880   2.7099   65.833   3.3179   65.973   4.6968  1593.97   40.487  1589.29   57.482 4.677368 70.30910 
1 1 1   14   11   33 o  1187.21   34.258   37.913   1.7922   39.111   2.0786   34.443   3.5385  1229.42   32.885  1144.99   60.109 84.43066 68.51655 
1 1 1   14   11   35 o  830.773   33.498   17.909   1.2447   17.774   1.4393   18.309   2.4787  827.993   33.810  833.553   57.839 -5.559937 66.99645 
1 1 1   14   11   37 o  658.021   35.869   12.006   1.0280   12.639   1.1942   10.197   2.0203  697.625   33.296  618.417   63.542 79.20807 71.73709 
1 1 1   14   11   39 o  801.530   38.818   18.093   1.4576   20.103   1.7987   14.249   2.4874  876.487   39.917  726.572   66.589 149.9157 77.63667 
1 1 1   14   11   41 o  275.822   45.905   2.1395   0.6420   2.4372   0.9225   1.8601   0.8939  295.095   62.737  256.550   67.031 38.54581 91.80992 
1 1 1   14   11   43 o  740.152   36.516   15.089   1.1832   15.506   1.3693   13.861   2.3507  769.274   34.621  711.030   64.303 58.24329 73.03109 
1 1 1   14   11   45 o  248.360   41.530   1.7419   0.5017   1.7462   0.6162   1.7333   0.8642  251.166   49.476  245.555   66.716 5.610870 83.05981 
1 1 1   14   11   47 o  501.579   35.965   6.7659   0.8086   6.7135   0.9381   6.9171   1.5947  504.185   36.191  498.973   62.163 5.211853 71.93029 
1 1 1   14   11   49 o  311.031   42.372   2.6811   0.6281   2.4486   0.7745   3.1278   1.0736  294.917   53.027  327.145   66.105 -32.22842 84.74467 
1 1 1   14   11   51 o  164.202   37.708   0.7478   0.3548   0.7945   0.4313   0.6500   0.6237  167.766   47.731  160.639   58.390 7.127670 75.41589 
1 1 1   14   11   53 f  152.278   34.132   0.7030   0.3115   0.8790   0.3483   0.0000   0.6961  176.961   39.301  127.594   55.815 49.36691 68.26342 
1 1 1   14   11   55 o  175.455   40.761   0.9244   0.4251   1.0384   0.5220   0.7000   0.7325  186.847   52.284  164.062   62.549 22.78473 81.52283 
1 1 1   14   12    0 o  1114.52   70.997   32.551   4.0303   0.0000   0.0000   32.551   4.0303  1114.52   70.997  1114.52   70.997 -0.000000 0.000000 
1 1 1   14   12    2 o  352.767   47.668   3.8133   0.7370   4.4327   0.8720   2.2643   1.3791  414.249   40.944  291.286   86.095 122.9621 95.33530 
1 1 1   14   12    4 o  994.343   43.171   26.775   1.8938   27.935   2.2044   23.506   3.7003  1039.99   41.227  948.691   75.864 91.30292 86.34277 
1 1 1   14   12    6 o  432.372   36.705   4.4513   0.6450   4.2286   0.7107   5.4919   1.5362  404.985   34.134  459.759   64.991 -54.77435 73.40914 
1 1 1   14   12    8 o  892.213   39.668   20.516   1.5479   20.430   1.7713   20.794   3.1846  889.950   38.713  894.476   69.249 -4.525391 79.33522 
1 1 1   14   12   10 o  533.897   55.031   7.3737   1.5105   7.3737   1.5105   0.0000   0.0000  533.897   55.031  ?   ?       ?      ? 
1 1 1   14   12   12 o  1590.85   32.271   65.190   2.6395   65.190   2.6395   0.0000   0.0000  1590.85   32.271  ?   ?       ?      ? 
1 1 1   14   12   14 o  460.243   37.234   5.2832   0.7950   5.0489   0.9306   5.9159   1.5292  442.487   40.908  477.999   62.225 -35.51248 74.46797 
1 1 1   14   12   16 o  1830.47   34.331   84.950   2.6531   83.804   2.9848   89.263   5.7909  1803.82   32.185  1857.11   60.651 -53.28503 68.66205 
1 1 1   14   12   18 o  2937.01   33.993  222.430   4.2738  222.186   4.8487  223.282   9.0486  2937.01   32.111  2937.00   59.925 0.1147461E-01 67.98577 
1 1 1   14   12   20 o  748.980   35.796   14.526   1.2707   14.571   1.5274   14.425   2.2904  751.644   39.524  746.316   59.692 5.328003 71.59102 
1 1 1   14   12   22 o  1159.44   32.580   33.884   1.6690   33.111   1.9101   36.381   3.4321  1133.53   32.776  1185.36   56.317 -51.83875 65.16049 
1 1 1   14   12   24 o  963.108   35.038   23.836   1.6256   23.548   1.9739   24.444   2.8657  955.134   40.198  971.082   57.399 -15.94788 70.07503 
1 1 1   14   12   26 o  1680.93   40.332   73.353   3.4846   71.439   4.9292   75.264   4.9268  1658.80   57.799  1703.06   56.268 -44.26904 80.66461 
1 1 1   14   12   28 o  1074.15   40.461   29.829   2.2344   29.829   2.2344   0.0000   0.0000  1074.15   40.461  ?   ?       ?      ? 
1 1 1   14   12   30 o  839.647   40.505   18.258   1.7485   18.258   1.7485   0.0000   0.0000  839.647   40.505  ?   ?       ?      ? 
1 1 1   14   12   32 o  982.127   40.900   25.033   2.0652   25.033   2.0652   0.0000   0.0000  982.127   40.900  ?   ?       ?      ? 
1 1 1   14   12   34 o  1354.98   33.450   47.567   2.3302   47.567   2.3302   0.0000   0.0000  1354.98   33.450  ?   ?       ?      ? 
1 1 1   14   12   36 o  575.882   36.787   8.8239   1.0241   9.0331   1.2606   8.4178   1.7562  588.392   41.672  563.372   60.634 25.02026 73.57387 
1 1 1   14   12   38 o  460.252   44.779   6.3489   0.8948   7.3890   1.0967   4.2778   1.5475  531.626   40.123  388.877   80.067 142.7492 89.55779 
1 1 1   14   12   40 o  363.123   35.127   3.4432   0.6558   3.4432   0.6558   0.0000   0.0000  363.123   35.127  ?   ?       ?      ? 
1 1 1   14   12   42 o  189.489   37.201   1.0131   0.3461   1.0722   0.3965   0.8243   0.7087  198.410   40.249  180.568   62.576 17.84186 74.40255 
1 1 1   14   12   44 o  386.989   45.291   5.1092   0.6952   6.0382   0.8127   2.5763   1.3420  480.107   32.927  293.871   84.386 186.2361 90.58191 
1 1 1   14   12   46 o  435.427   43.306   5.5861   0.8449   6.1399   1.0333   4.4692   1.4674  480.444   41.834  390.410   75.840 90.03345 86.61246 
1 1 1   14   12   48 f  232.591   38.055   1.6066   0.4203   1.7473   0.4943   1.2393   0.7984  256.574   37.473  208.608   66.246 47.96611 76.11037 
1 1 1   14   12   50 o  403.696   46.309   4.4381   0.9612   4.4381   0.9612   0.0000   0.0000  403.696   46.309  ?   ?       ?      ? 
1 1 1   14   12   52 o  127.054   31.816   0.4133   0.2656   0.5503   0.3065   0.0000   0.5324  140.651   40.311  113.458   49.234 27.19348 63.63113 
1 1 1   14   12   54 o  235.704   37.564   1.3553   0.4028   1.0120   0.4629   2.4267   0.8177  186.457   48.004  284.952   57.791 -98.49510 75.12750 
1 1 1   14   13    1 o  1662.09   42.198   71.344   3.6059   71.344   3.6059   0.0000   0.0000  1662.09   42.198  ?   ?       ?      ? 
1 1 1   14   13    3 o  1631.83   44.502   68.760   3.6370   67.514   4.6269   70.774   5.8835  1614.33   55.748  1649.34   69.383 -35.01233 89.00476 
1 1 1   14   13    5 o  1310.37   44.532   44.397   2.8930   43.965   3.6309   45.149   4.7875  1303.25   54.190  1317.48   70.680 -14.22949 89.06335 
1 1 1   14   13    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   13    9 o  2138.87   61.946  118.520   6.8119  118.520   6.8119   0.0000   0.0000  2138.87   61.946  ?   ?       ?      ? 
1 1 1   14   13   11 o  295.908   42.646   2.3321   0.5594   2.3562   0.6467   2.2606   1.1145  302.250   41.616  289.566   74.451 12.68396 85.29285 
1 1 1   14   13   13 o  349.799   38.205   3.0884   0.5271   3.0102   0.5845   3.4288   1.2194  341.845   33.255  357.754   68.794 -15.90942 76.41008 
1 1 1   14   13   15 o  397.665   34.402   3.8433   0.5813   3.6718   0.6511   4.5170   1.2903  377.542   33.546  417.787   60.072 -40.24438 68.80431 
1 1 1   14   13   17 o  1180.24   33.924   34.863   1.7060   34.032   1.9214   37.960   3.7079  1149.43   32.514  1211.06   59.551 -61.63464 67.84892 
1 1 1   14   13   19 o  986.943   34.031   24.882   1.4396   24.660   1.6309   25.665   3.0629  978.373   32.423  995.513   59.843 -17.13922 68.06232 
1 1 1   14   13   21 o  2944.90   35.725  224.896   4.9882  225.998   6.0002  222.429   8.9756  2959.90   39.429  2929.91   59.585 29.99365 71.44982 
1 1 1   14   13   23 o  521.546   32.177   6.4997   0.7492   6.0201   0.8530   8.1175   1.5667  483.219   34.336  559.873   54.428 -76.65463 64.35401 
1 1 1   14   13   25 f  1678.97   40.593   73.159   3.5033   73.548   4.9118   72.757   4.9981  1683.69   56.742  1674.25   58.065 9.444092 81.18655 
1 1 1   14   13   27 o  1263.49   32.866   41.183   2.1349   41.183   2.1349   0.0000   0.0000  1263.49   32.866  ?   ?       ?      ? 
1 1 1   14   13   29 o  850.776   35.076   18.577   1.4482   18.136   1.7666   19.480   2.5286  836.947   41.054  864.605   56.885 -27.65826 70.15207 
1 1 1   14   13   31 f  1550.36   40.799   62.920   3.2492   59.738   4.5819   66.139   4.6082  1510.29   59.009  1590.44   56.357 -80.15063 81.59753 
1 1 1   14   13   33 o  319.214   42.693   2.6511   0.7007   2.6511   0.7007   0.0000   0.0000  319.214   42.693  ?   ?       ?      ? 
1 1 1   14   13   35 o  152.206   41.595   0.6232   0.3348   0.6232   0.3348   0.0000   0.0000  152.206   41.595  ?   ?       ?      ? 
1 1 1   14   13   37 o  1124.62   33.705   32.880   1.9488   32.880   1.9488   0.0000   0.0000  1124.62   33.705  ?   ?       ?      ? 
1 1 1   14   13   39 o  371.543   35.755   3.6035   0.6830   3.6035   0.6830   0.0000   0.0000  371.543   35.755  ?   ?       ?      ? 
1 1 1   14   13   41 o  1170.99   36.743   36.595   2.0851   36.537   2.5577   36.710   3.6004  1177.06   42.264  1164.91   60.115 12.14819 73.48525 
1 1 1   14   13   43 o  683.150   34.182   12.071   1.0508   11.657   1.2127   13.317   2.1046  666.418   35.395  699.882   58.489 -33.46411 68.36490 
1 1 1   14   13   45 o  634.945   39.477   11.393   1.1849   12.232   1.4566   9.7528   2.0370  678.655   41.748  591.235   67.014 87.41974 78.95379 
1 1 1   14   13   47 o  393.801   34.374   3.7549   0.6203   3.2879   0.7121   5.2236   1.2629  351.714   39.381  435.888   56.352 -84.17386 68.74889 
1 1 1   14   13   49 o  450.734   44.735   5.4941   1.0367   5.4941   1.0367   0.0000   0.0000  450.734   44.735  ?   ?       ?      ? 
1 1 1   14   13   51 o  353.098   34.989   3.2426   0.5783   2.9686   0.6778   3.9761   1.1089  331.772   39.734  374.425   57.603 -42.65286 69.97786 
1 1 1   14   13   53 o  194.522   39.481   0.9994   0.3599   0.8975   0.4058   1.3747   0.7789  177.045   44.605  212.000   65.157 -34.95488 78.96233 
1 1 1   14   13   55 o  242.145   44.833   1.7461   0.5249   1.5900   0.6209   2.1374   0.9829  230.127   53.495  254.162   71.960 -24.03563 89.66588 
1 1 1   14   14    0 o  1045.56   54.835   28.430   2.9291   0.0000   0.0000   28.430   2.9291  1045.56   54.835  1045.56   54.835 0.000000 0.000000 
1 1 1   14   14    2 o  1613.28   33.906   66.889   2.7041   65.934   3.3765   68.595   4.5157  1598.45   41.086  1628.11   53.947 -29.66418 67.81139 
1 1 1   14   14    4 o  1259.82   34.545   40.798   2.1667   40.162   2.7315   41.879   3.5582  1247.43   42.590  1272.21   54.400 -24.78809 69.08921 
1 1 1   14   14    6 o  779.352   34.780   15.693   1.3423   15.693   1.6858   15.693   2.2189  779.875   42.044  778.830   55.414 1.044983 69.55925 
1 1 1   14   14    8 o  1383.58   41.545   49.378   2.9552   49.378   2.9552   0.0000   0.0000  1383.58   41.545  ?   ?       ?      ? 
1 1 1   14   14   10 o  811.759   39.057   16.549   1.4496   16.000   1.6856   18.111   2.8406  787.623   41.626  835.894   66.099 -48.27057 78.11395 
1 1 1   14   14   12 o  416.896   48.122   5.2468   0.8173   5.8800   0.9497   3.4378   1.6051  477.600   38.675  356.191   88.132 121.4092 96.24449 
1 1 1   14   14   14 o  1433.37   38.848   53.712   2.5211   54.403   2.9477   51.830   4.8655  1452.67   39.468  1414.07   66.925 38.59778 77.69633 
1 1 1   14   14   16 o  1099.32   36.875   30.707   1.8789   30.045   2.2092   32.438   3.5723  1079.46   39.806  1119.19   62.084 -39.73669 73.74924 
1 1 1   14   14   18 o  792.115   35.971   15.467   1.3369   14.481   1.5714   18.051   2.5439  749.264   40.794  834.967   59.259 -85.70251 71.94291 
1 1 1   14   14   20 o  411.849   44.276   4.5151   0.9022   4.9540   1.2227   3.9907   1.3368  437.558   54.353  386.140   69.908 51.41782 88.55151 
1 1 1   14   14   22 o  812.292   35.163   17.582   1.2133   18.010   1.3818   16.142   2.5360  835.946   32.150  788.638   62.547 47.30817 70.32604 
1 1 1   14   14   24 o  1115.76   35.549   32.063   1.9016   31.775   2.3008   32.684   3.3778  1109.29   40.342  1122.24   58.544 -12.95215 71.09752 
1 1 1   14   14   26 o  1015.52   32.855   26.601   1.7154   26.601   1.7154   0.0000   0.0000  1015.52   32.855  ?   ?       ?      ? 
1 1 1   14   14   28 o  444.067   35.227   5.1407   0.6782   5.1592   0.7747   5.0798   1.4032  446.977   33.712  441.158   61.866 5.818939 70.45476 
1 1 1   14   14   30 o  1412.01   33.042   51.343   2.0776   50.865   2.3952   52.796   4.1748  1402.71   33.213  1421.31   57.132 -18.59668 66.08421 
1 1 1   14   14   32 f  997.106   35.766   25.973   1.7234   25.981   2.1065   25.958   2.9971  1000.05   40.970  994.159   58.638 5.893860 71.53292 
1 1 1   14   14   34 o  762.330   35.799   14.942   1.3280   14.356   1.6198   16.143   2.3195  742.167   42.451  782.493   57.655 -40.32587 71.59727 
1 1 1   14   14   36 o  471.793   43.219   5.9381   1.0447   5.4319   1.4854   6.4336   1.4697  451.056   64.054  492.529   58.040 -41.47372 86.43835 
1 1 1   14   14   38 o  548.296   43.228   7.8932   1.2186   7.8932   1.2186   0.0000   0.0000  548.296   43.228  ?   ?       ?      ? 
1 1 1   14   14   40 o  304.570   37.138   2.4298   0.5815   2.4298   0.5815   0.0000   0.0000  304.570   37.138  ?   ?       ?      ? 
1 1 1   14   14   42 o  205.852   41.341   1.1565   0.4223   1.1565   0.4223   0.0000   0.0000  205.852   41.341  ?   ?       ?      ? 
1 1 1   14   14   44 o  154.911   33.819   0.7096   0.3009   0.8778   0.3347   0.0000   0.6875  179.329   37.506  130.494   56.287 48.83554 67.63791 
1 1 1   14   14   46 o  216.262   39.969   1.1628   0.4178   0.9081   0.4915   1.8261   0.7932  180.463   50.814  252.062   61.708 -71.59909 79.93713 
1 1 1   14   14   48 o  551.224   43.678   9.1975   1.0986   10.533   1.3567   6.6540   1.8722  626.656   42.111  475.792   76.536 150.8641 87.35626 
1 1 1   14   14   50 o  227.315   40.820   1.3769   0.4539   1.1092   0.5464   1.9732   0.8155  196.353   52.922  258.277   62.164 -61.92476 81.64014 
1 1 1   14   14   52 o  348.674   40.387   3.4047   0.6060   3.2924   0.6973   3.7518   1.2256  348.727   38.890  348.620   70.795 0.1075745 80.77341 
1 1 1   14   14   54 o  320.933   44.632   3.6267   0.6312   4.2051   0.7426   2.1210   1.1982  393.223   36.735  248.643   81.354 144.5804 89.26338 
1 1 1   14   15    1 o  2780.33   27.876  198.458   3.9358  193.785   5.1489  205.027   6.1044  2741.77   36.527  2818.89   42.121 -77.11157 55.75263 
1 1 1   14   15    3 o  1649.83   28.051   70.331   2.3417   70.968   3.0597   69.431   3.6382  1659.35   35.865  1640.30   43.141 19.04443 56.10193 
1 1 1   14   15    5 o  2082.52   28.326  111.781   2.9856  111.475   3.8918  112.217   4.6543  2079.65   36.399  2085.40   43.411 -5.740967 56.65141 
1 1 1   14   15    7 o  1719.75   30.095   76.208   2.6591   74.028   3.6773   78.598   3.8496  1694.05   42.221  1745.46   42.898 -51.41870 60.19035 
1 1 1   14   15    9 o  1838.54   38.392   87.970   3.3865   85.699   5.9395   89.064   4.1223  1818.97   63.512  1858.11   43.152 -39.14795 76.78408 
1 1 1   14   15   11 o  821.653   29.786   17.469   1.2529   18.185   1.7174   16.655   1.8319  839.849   39.775  803.458   44.348 36.39166 59.57152 
1 1 1   14   15   13 o  1207.85   29.459   37.658   1.8232   38.045   2.4853   37.206   2.6827  1214.76   39.795  1200.95   43.449 13.80042 58.91854 
1 1 1   14   15   15 o  748.831   39.108   14.596   1.3241   14.704   1.5449   14.296   2.5706  755.158   39.791  742.504   67.338 12.65369 78.21539 
1 1 1   14   15   17 o  1482.80   36.956   55.814   2.5370   54.531   2.9797   59.196   4.8369  1454.10   39.858  1511.49   62.243 -57.39221 73.91127 
1 1 1   14   15   19 o  1533.17   36.150   59.412   2.6002   57.536   3.0760   64.110   4.8671  1493.41   40.062  1572.94   60.185 -79.52454 72.29959 
1 1 1   14   15   21 o  1110.75   37.655   33.061   1.9337   34.686   2.3129   29.290   3.5243  1159.47   38.800  1062.03   64.545 97.43408 75.30949 
1 1 1   14   15   23 o  260.303   45.773   1.8071   0.6095   1.5576   0.8188   2.1170   0.9127  240.721   64.746  279.885   64.719 -39.16422 91.54585 
1 1 1   14   15   25 o  1238.04   40.184   39.600   2.5577   39.600   2.5577   0.0000   0.0000  1238.04   40.184  ?   ?       ?      ? 
1 1 1   14   15   27 o  637.215   32.984   10.022   0.9333   9.5618   1.0656   11.538   1.9342  608.540   34.058  665.891   56.497 -57.35107 65.96818 
1 1 1   14   15   29 o  582.987   35.234   9.0681   0.8881   9.2727   1.0186   8.4195   1.8138  599.001   33.076  566.973   62.223 32.02869 70.46816 
1 1 1   14   15   31 o  532.197   35.572   7.1942   0.9228   6.7989   1.1239   8.0125   1.6168  511.468   42.739  552.926   56.875 -41.45761 71.14369 
1 1 1   14   15   33 o  270.586   37.813   1.8756   0.4530   1.7908   0.5214   2.1365   0.9144  262.506   38.635  278.665   65.013 -16.15869 75.62687 
1 1 1   14   15   35 o  396.536   38.348   3.9633   0.7340   3.6420   0.8812   4.6913   1.3264  372.895   45.962  420.177   61.399 -47.28186 76.69630 
1 1 1   14   15   37 o  274.660   49.015   2.0449   0.6667   2.0449   0.6667   0.0000   0.0000  274.660   49.015  ?   ?       ?      ? 
1 1 1   14   15   39 o  498.482   35.416   5.9931   0.8628   4.6861   1.0423   8.8391   1.5380  420.628   48.197  576.336   51.905 -155.7089 70.83122 
1 1 1   14   15   41 o  321.920   66.236   2.9312   1.0597   2.9312   1.0597   0.0000   0.0000  321.920   66.236  ?   ?       ?      ? 
1 1 1   14   15   43 o  322.766   35.673   2.7382   0.5920   2.7382   0.5920   0.0000   0.0000  322.766   35.673  ?   ?       ?      ? 
1 1 1   14   15   45 o  321.714   46.343   2.7744   0.7665   2.7744   0.7665   0.0000   0.0000  321.714   46.343  ?   ?       ?      ? 
1 1 1   14   15   47 o  342.915   44.033   3.4150   0.6888   3.5371   0.8276   3.1397   1.2426  362.755   44.376  323.076   76.067 39.67969 88.06516 
1 1 1   14   15   49 o  697.434   39.245   14.286   1.1670   15.038   1.3498   12.060   2.3225  752.331   34.897  642.538   70.306 109.7924 78.49075 
1 1 1   14   15   51 o  194.622   41.171   0.9914   0.3843   0.8931   0.4331   1.3553   0.8332  176.890   46.871  212.354   67.700 -35.46446 82.34186 
1 1 1   14   15   53 o  168.659   33.213   0.3890   0.2846   0.0703   0.3161   1.7556   0.6545   93.465   39.149  243.853   53.664 -150.3880 66.42584 
1 1 1   14   16    0 f  429.261   48.667   4.9533   0.9613   4.5285   1.2001   5.7137   1.6057  405.666   61.793  452.856   75.202 -0.000000 0.000000 
1 1 1   14   16    2 o  143.482   29.732   0.5461   0.2469   0.7468   0.3243   0.2692   0.3808  166.882   38.566  120.081   45.263 46.80101 59.46466 
1 1 1   14   16    4 o  949.061   28.426   22.978   1.3758   21.394   1.8118   25.135   2.1143  910.956   38.685  987.165   41.660 -76.20868 56.85142 
1 1 1   14   16    6 o  385.381   31.539   3.8559   0.6206   4.2985   0.8677   3.3925   0.8879  408.260   41.340  362.502   47.642 45.75763 63.07723 
1 1 1   14   16    8 o  1028.30   48.575   27.584   2.5474   29.003   3.4492   25.881   3.7784  1058.23   63.397  998.363   73.612 59.87140 97.14930 
1 1 1   14   16   10 o  539.542   30.216   7.4980   0.8371   7.3146   1.1496   7.7050   1.2213  532.559   41.986  546.525   43.464 -13.96613 60.43195 
1 1 1   14   16   12 f  1900.98   29.493   93.051   2.8776   90.819   3.9380   95.608   4.2153  1876.69   40.814  1925.27   42.586 -48.57874 58.98624 
1 1 1   14   16   14 o  651.429   29.887   11.016   0.9941   11.765   1.3603   10.157   1.4564  675.507   39.168  627.351   45.154 48.15625 59.77493 
1 1 1   14   16   16 o  1419.42   29.344   52.197   2.1297   54.592   2.9073   49.423   3.1286  1455.02   38.865  1383.82   43.974 71.19946 58.68746 
1 1 1   14   16   18 o  463.738   38.403   5.5496   0.8199   5.5314   0.9642   5.5973   1.5583  463.032   40.502  464.445   65.258 -1.412933 76.80530 
1 1 1   14   16   20 o  480.058   44.829   6.1480   1.0755   7.1860   1.4518   4.8856   1.6010  526.880   53.595  433.235   71.877 93.64542 89.65896 
1 1 1   14   16   22 o  613.865   42.376   9.7297   1.3338   9.0678   1.8084   10.519   1.9752  591.128   59.503  636.601   60.350 -45.47266 84.75124 
1 1 1   14   16   24 o  1355.83   40.117   47.490   2.7964   47.490   2.7964   0.0000   0.0000  1355.83   40.117  ?   ?       ?      ? 
1 1 1   14   16   26 o  661.920   37.025   11.376   1.1581   11.376   1.3880   11.377   2.1009  663.213   40.707  660.627   61.857 2.586548 74.04947 
1 1 1   14   16   28 o  1666.97   36.376   73.420   2.8837   75.355   3.4986   69.321   5.0927  1705.80   39.893  1628.14   60.839 77.66162 72.75232 
1 1 1   14   16   30 o  1023.06   35.945   27.221   1.7667   27.062   2.1443   27.557   3.1176  1021.10   40.846  1025.02   59.158 -3.911987 71.88923 
1 1 1   14   16   32 o  220.501   36.910   1.0677   0.3582   0.8426   0.4032   1.9124   0.7810  176.439   44.461  264.563   58.929 -88.12444 73.82028 
1 1 1   14   16   34 o  590.815   36.089   9.5716   0.9217   9.9549   1.0630   8.4106   1.8499  619.365   33.382  562.265   63.995 57.09955 72.17832 
1 1 1   14   16   36 o  211.310   40.027   0.9607   0.5253   0.0000   0.6872   2.3104   0.8146  132.173   56.630  290.447   56.584 -158.2743 80.05428 
1 1 1   14   16   38 o  171.530   38.647   0.7405   0.3438   0.7222   0.3928   0.8007   0.7111  163.069   45.252  179.990   62.663 -16.92136 77.29420 
1 1 1   14   16   40 o  127.010   33.642   0.3199   0.3081   0.4978   0.3843   0.0000   0.5155  139.689   46.092  114.332   49.018 25.35699 67.28479 
1 1 1   14   16   42 o  501.547   37.632   6.5500   0.9194   6.0943   1.1169   7.5075   1.6189  478.564   45.396  524.531   60.033 -45.96777 75.26436 
1 1 1   14   16   44 o  158.089   46.822   0.6817   0.4075   0.6817   0.4075   0.0000   0.0000  158.089   46.822  ?   ?       ?      ? 
1 1 1   14   16   46 o  208.932   49.724   1.2270   0.5264   1.2270   0.5264   0.0000   0.0000  208.932   49.724  ?   ?       ?      ? 
1 1 1   14   16   48 o  596.591   35.468   9.4498   1.0879   9.4498   1.0879   0.0000   0.0000  596.591   35.468  ?   ?       ?      ? 
1 1 1   14   16   50 o  215.406   38.593   1.5017   0.4886   2.0562   0.5936   0.3359   0.8607  275.384   41.924  155.428   64.808 119.9562 77.18627 
1 1 1   14   16   52 o  140.956   35.135   0.5222   0.2943   0.5738   0.3351   0.3482   0.6156  143.108   42.473  138.804   55.982 4.304031 70.27025 
1 1 1   14   16   54 o  182.579   37.526   0.9600   0.3489   0.9112   0.4129   1.0820   0.6524  176.867   45.228  188.292   59.892 -11.42482 75.05104 
1 1 1   14   17    1 o  1527.68   27.844   59.794   2.1650   57.665   2.8442   62.727   3.3383  1495.81   36.984  1559.55   41.634 -63.73828 55.68848 
1 1 1   14   17    3 o  636.986   26.581   10.450   0.8701   10.732   1.2541   10.188   1.2083  645.266   37.802  628.706   37.380 16.55975 53.16270 
1 1 1   14   17    5 o  620.722   29.132   10.004   0.9168   10.391   1.2142   9.4907   1.3984  634.964   37.195  606.480   44.848 28.48352 58.26500 
1 1 1   14   17    7 o  589.693   43.529   9.2106   1.1395   9.4285   1.3226   8.5831   2.2445  604.610   42.549  574.775   75.953 29.83569 87.05885 
1 1 1   14   17    9 o  483.613   30.658   6.0751   0.7570   6.6345   1.0461   5.4601   1.0967  507.268   40.110  459.957   46.378 47.31076 61.31658 
1 1 1   14   17   11 o  575.192   30.057   8.5425   0.8868   8.6744   1.2194   8.3944   1.2921  579.983   40.896  570.402   44.059 9.581177 60.11363 
1 1 1   14   17   13 o  1377.13   29.526   48.841   2.0863   47.763   2.8487   50.088   3.0641  1360.89   40.715  1393.38   42.772 -32.49207 59.05269 
1 1 1   14   17   15 o  1777.67   29.282   81.461   2.6700   80.618   3.6449   82.437   3.9223  1767.96   40.100  1787.39   42.683 -19.43164 58.56484 
1 1 1   14   17   17 o  1628.27   29.261   68.590   2.4395   70.680   3.3343   66.182   3.5787  1655.35   39.178  1601.19   43.473 54.16711 58.52192 
1 1 1   14   17   19 o  1551.90   42.579   62.437   3.3698   62.301   4.4881   62.613   5.1020  1550.81   56.290  1552.98   63.901 -2.169678 85.15798 
1 1 1   14   17   21 o  2035.46   35.407  107.954   3.5437  104.621   5.9040  109.832   4.4306  2008.68   57.170  2062.24   41.788 -53.55969 70.81405 
1 1 1   14   17   23 o  1376.02   39.885   48.909   2.8216   48.909   2.8216   0.0000   0.0000  1376.02   39.885  ?   ?       ?      ? 
1 1 1   14   17   25 o  145.009   37.378   0.4290   0.3190   0.4185   0.3632   0.4645   0.6676  132.165   44.826  157.853   59.826 -25.68848 74.75644 
1 1 1   14   17   27 o  432.927   37.252   4.6916   0.7664   4.4124   0.9106   5.3697   1.4190  412.590   42.928  453.264   60.893 -40.67459 74.50377 
1 1 1   14   17   29 o  967.532   36.759   24.721   1.6955   25.241   2.0585   23.623   2.9897  986.364   40.592  948.699   61.295 37.66455 73.51731 
1 1 1   14   17   31 o  189.299   41.309   0.9373   0.4856   1.3969   0.6262   0.2442   0.7689  226.424   54.460  152.173   62.127 74.25069 82.61739 
1 1 1   14   17   33 o  491.848   33.154   5.9076   0.7350   5.4932   0.8420   7.2338   1.5064  459.888   35.610  523.807   55.935 -63.91968 66.30863 
1 1 1   14   17   35 o  1170.16   42.125   36.443   2.5338   37.064   3.5709   35.814   3.5958  1180.69   58.826  1159.63   60.313 21.06335 84.25008 
1 1 1   14   17   37 o  359.990   36.423   3.3840   0.6741   3.3840   0.6741   0.0000   0.0000  359.990   36.423  ?   ?       ?      ? 
1 1 1   14   17   39 o  249.410   38.658   1.4961   0.4173   1.3001   0.4707   2.2152   0.9016  218.380   43.455  280.441   63.949 -62.06125 77.31612 
1 1 1   14   17   41 o  217.893   41.463   1.0909   0.4354   0.7833   0.5032   2.0068   0.8684  170.221   52.381  265.564   64.289 -95.34224 82.92683 
1 1 1   14   17   43 o  338.145   42.413   3.1256   0.5768   3.0861   0.6454   3.2821   1.2853  342.242   36.680  334.047   76.486 8.194092 84.82678 
1 1 1   14   17   45 o  216.842   40.177   1.1701   0.5526   0.0000   0.7601   2.4817   0.8048  136.099   58.943  297.585   54.614 -161.4863 80.35490 
1 1 1   14   17   47 o  237.829   51.072   1.5987   0.6058   1.5987   0.6058   0.0000   0.0000  237.829   51.072  ?   ?       ?      ? 
1 1 1   14   17   49 o  125.290   41.240   0.4114   0.3077   0.4114   0.3077   0.0000   0.0000  125.290   41.240  ?   ?       ?      ? 
1 1 1   14   17   51 o  139.932   42.597   0.5428   0.3339   0.5428   0.3339   0.0000   0.0000  139.932   42.597  ?   ?       ?      ? 
1 1 1   14   17   53 o  200.605   37.763   1.3014   0.3939   1.4791   0.4498   0.7170   0.8157  232.908   37.567  168.302   65.520 64.60599 75.52552 
1 1 1   14   18    0 o  374.059   51.084   3.8186   0.8510   4.6851   1.4320   3.3456   1.0580  406.221   76.491  341.896   67.732 0.000000 0.000000 
1 1 1   14   18    2 o  1416.89   28.448   51.670   2.0578   51.006   2.7438   52.525   3.1109  1406.73   37.937  1427.05   42.401 -20.31982 56.89553 
1 1 1   14   18    4 o  1965.11   28.931   99.211   2.9080   96.167   3.8945  103.047   4.3719  1931.42   39.219  1998.81   42.543 -67.39880 57.86279 
1 1 1   14   18    6 o  996.478   41.776   26.345   1.7307   26.827   1.9522   24.574   3.7409  1020.26   37.218  972.700   74.804 47.55566 83.55139 
1 1 1   14   18    8 o  931.651   39.871   22.576   1.7547   22.109   3.1700   22.782   2.1069  923.557   66.762  939.744   43.609 -16.18713 79.74238 
1 1 1   14   18   10 o  222.134   34.650   1.3347   0.3858   1.5292   0.5350   1.1240   0.5569  239.553   45.096  204.715   52.621 34.83743 69.30053 
1 1 1   14   18   12 o  1810.10   29.686   84.412   2.7580   82.741   3.7769   86.321   4.0368  1791.08   41.016  1829.12   42.927 -38.04358 59.37182 
1 1 1   14   18   14 o  1835.32   29.478   86.797   2.7749   85.398   3.7819   88.427   4.0840  1819.53   40.428  1851.11   42.912 -31.58850 58.95692 
1 1 1   14   18   16 o  1649.10   29.313   70.063   2.4800   68.515   3.3829   71.861   3.6463  1629.61   40.377  1668.60   42.505 -38.98755 58.62542 
1 1 1   14   18   18 o  1494.18   37.857   56.476   2.5877   54.968   3.0146   60.698   5.0447  1459.42   40.177  1528.95   64.176 -69.52966 75.71460 
1 1 1   14   18   20 f  949.301   42.748   23.278   2.0864   0.0000   0.0000   23.278   2.0864  ?   ?   949.301   42.748      ?      ? 
1 1 1   14   18   22 o  745.195   34.555   14.129   1.2531   13.631   1.5289   15.149   2.1872  726.329   40.942  764.060   55.678 -37.73090 69.11087 
1 1 1   14   18   24 o  526.733   30.076   7.2543   0.8048   8.3189   1.1203   6.1188   1.1570  567.407   38.402  486.059   46.297 81.34781 60.15142 
1 1 1   14   18   26 o  1041.37   36.217   27.659   1.7953   26.806   2.1487   29.633   3.2677  1017.39   41.078  1065.36   59.659 -47.96765 72.43358 
1 1 1   14   18   28 o  359.471   36.214   2.9643   0.6236   2.3044   0.7363   4.6379   1.1725  297.532   48.135  421.409   54.119 -123.8771 72.42770 
1 1 1   14   18   30 o  780.924   42.584   15.982   1.6935   13.167   2.3174   19.209   2.4808  706.302   63.817  855.546   56.399 -149.2438 85.16775 
1 1 1   14   18   32 o  436.533   38.087   5.0676   0.7961   5.1742   0.9706   4.8485   1.3915  445.491   42.378  427.574   63.298 17.91702 76.17449 
1 1 1   14   18   34 o  653.548   43.383   11.386   1.4560   11.833   2.0420   10.924   2.0766  667.277   59.524  639.820   63.130 27.45697 86.76653 
1 1 1   14   18   36 o  238.693   50.318   1.5602   0.5980   1.5602   0.5980   0.0000   0.0000  238.693   50.318  ?   ?       ?      ? 
1 1 1   14   18   38 o  342.854   33.310   2.3828   0.5004   1.5696   0.5665   5.2694   1.0673  239.498   47.684  446.210   46.524 -206.7118 66.62042 
1 1 1   14   18   40 o  595.424   38.169   9.5536   1.0917   9.5899   1.3305   9.4788   1.9099  601.989   42.987  588.859   63.084 13.12964 76.33810 
1 1 1   14   18   42 o  488.764   45.779   7.5968   0.8501   8.3839   0.9732   5.0634   1.7460  565.401   33.480  412.127   85.217 153.2741 91.55773 
1 1 1   14   18   44 o  172.162   37.644   0.8647   0.3341   0.9700   0.3643   0.3082   0.8377  188.134   38.950  156.190   64.429 31.94395 75.28760 
1 1 1   14   18   46 o  571.240   43.910   8.7708   1.2896   8.7708   1.2896   0.0000   0.0000  571.240   43.910  ?   ?       ?      ? 
1 1 1   14   18   48 o  196.087   42.398   1.0238   0.4271   0.9130   0.4986   1.3293   0.8275  179.331   51.419  212.843   67.428 -33.51155 84.79626 
1 1 1   14   18   50 o  514.776   46.795   7.8072   1.2380   7.6953   1.7241   7.9264   1.7789  511.588   65.550  517.964   66.800 -6.376221 93.59013 
1 1 1   14   18   52 o  263.625   49.026   2.0055   0.6400   2.0055   0.6400   0.0000   0.0000  263.625   49.026  ?   ?       ?      ? 
1 1 1   14   19    1 o  1974.62   30.703  100.639   3.1147   98.817   4.4664  102.365   4.3456  1957.05   44.390  1992.19   42.428 -35.13721 61.40538 
1 1 1   14   19    3 o  393.258   27.266   3.9777   0.5485   4.5588   0.7961   3.4525   0.7568  420.589   36.816  365.928   40.228 54.66138 54.53112 
1 1 1   14   19    5 o  1703.40   40.281   73.525   2.9711   72.264   3.3740   77.882   6.2694  1674.23   39.197  1732.57   70.383 -58.33679 80.56146 
1 1 1   14   19    7 o  2168.12   39.713  121.503   4.0644  121.716   7.3945  121.410   4.8653  2166.92   66.373  2169.32   43.623 -2.406494 79.42544 
1 1 1   14   19    9 o  1784.47   30.358   82.078   2.7839   79.611   3.8666   84.733   4.0114  1756.67   42.812  1812.27   43.052 -55.59863 60.71573 
1 1 1   14   19   11 o  1275.14   30.104   41.886   1.9712   40.685   2.7088   43.239   2.8739  1255.80   41.955  1294.49   43.183 -38.68347 60.20731 
1 1 1   14   19   13 o  2155.10   29.754  119.844   3.2890  119.852   4.5010  119.836   4.8179  2155.45   40.617  2154.75   43.490 0.6989746 59.50739 
1 1 1   14   19   15 o  1042.79   29.687   28.086   1.5861   28.332   2.1606   27.799   2.3358  1047.92   40.104  1037.65   43.783 10.26733 59.37418 
1 1 1   14   19   17 o  1920.23   29.441   95.384   2.8945   97.527   3.9445   92.883   4.2606  1944.07   39.465  1896.40   43.699 47.67273 58.88193 
1 1 1   14   19   19 o  522.310   44.091   7.0494   1.1840   0.0000   0.0000   7.0494   1.1840  ?   ?   522.310   44.091      ?      ? 
1 1 1   14   19   21 o  784.006   34.913   15.959   1.3222   16.038   1.6167   15.798   2.2978  787.968   39.908  780.044   57.297 7.923523 69.82555 
1 1 1   14   19   23 o  1169.23   29.137   35.272   1.7494   33.716   2.4041   37.023   2.5505  1141.92   40.950  1196.53   41.460 -54.61023 58.27314 
1 1 1   14   19   25 o  1635.30   29.116   69.191   2.4457   67.988   3.3761   70.520   3.5479  1620.54   40.521  1650.06   41.822 -29.51611 58.23269 
1 1 1   14   19   27 o  1077.37   29.399   30.057   1.6268   28.352   2.2494   31.926   2.3554  1045.33   41.855  1109.41   41.296 -64.07629 58.79864 
1 1 1   14   19   29 o  1754.21   36.693   80.716   3.0576   81.130   3.6861   79.803   5.4744  1767.23   40.570  1741.19   61.153 26.03088 73.38692 
1 1 1   14   19   31 o  545.928   36.643   7.3655   0.9619   6.6242   1.1472   9.1206   1.7652  503.852   44.286  588.004   58.392 -84.15176 73.28635 
1 1 1   14   19   33 o  494.868   36.760   6.1979   0.8776   5.7550   1.0547   7.1945   1.5820  469.031   43.739  520.705   59.094 -51.67383 73.52039 
1 1 1   14   19   35 o  318.823   46.823   2.6764   0.7675   2.6764   0.7675   0.0000   0.0000  318.823   46.823  ?   ?       ?      ? 
1 1 1   14   19   37 o  280.731   42.114   1.9835   0.5471   1.6677   0.6451   2.7923   1.0324  245.914   52.618  315.548   65.771 -69.63414 84.22867 
1 1 1   14   19   39 o  1018.32   36.516   28.528   1.6053   29.268   1.8454   26.225   3.2548  1057.68   33.936  978.952   64.668 78.72632 73.03128 
1 1 1   14   19   41 o  805.126   37.247   18.029   1.2840   18.547   1.4730   16.388   2.6204  840.886   34.072  769.365   66.246 71.52167 74.49464 
1 1 1   14   19   43 f  828.937   34.532   17.302   1.2724   16.199   1.4507   20.977   2.6484  783.903   35.996  873.971   58.940 -90.06793 69.06312 
1 1 1   14   19   45 o  584.467   46.769   9.5953   1.3716   7.1507   1.8668   12.463   2.0220  498.279   72.872  670.654   58.644 -172.3757 93.53792 
1 1 1   14   19   47 f  272.689   39.547   1.7534   0.4605   1.4405   0.5162   2.9731   1.0193  226.872   45.835  318.506   64.459 -91.63365 79.09395 
1 1 1   14   19   49 o  247.006   44.170   1.4881   0.5076   1.0932   0.5821   2.7413   1.0370  193.904   55.545  300.109   68.694 -106.2053 88.34084 
1 1 1   14   19   51 o  436.004   45.671   5.6798   0.8933   5.6787   1.0644   5.6826   1.6433  452.245   45.778  419.764   79.043 32.48145 91.34219 
1 1 1   14   20    0 o  1124.78   45.656   32.868   2.5373   32.567   3.2067   33.372   4.1494  1119.73   56.022  1129.82   72.108 -0.000000 0.000000 
1 1 1   14   20    2 o  1264.67   28.857   41.150   1.8671   40.327   2.5080   42.172   2.7965  1250.69   39.004  1278.64   42.540 -27.94727 57.71491 
1 1 1   14   20    4 o  2848.14   31.860  209.183   4.5297  208.683   5.7517  209.999   7.3502  2844.99   39.323  2851.30   50.140 -6.317139 63.72075 
1 1 1   14   20    6 o  1673.22   32.725   72.011   2.8001   74.682   4.2138   69.899   3.7471  1700.61   48.194  1645.83   44.284 54.78455 65.45054 
1 1 1   14   20    8 o  1922.62   30.989   95.397   3.0628   93.934   4.3352   96.855   4.3278  1907.84   44.197  1937.41   43.449 -29.56555 61.97760 
1 1 1   14   20   10 o  547.893   31.202   7.7749   0.8759   8.2769   1.2176   7.2366   1.2608  566.397   41.813  529.390   46.325 37.00684 62.40424 
1 1 1   14   20   12 o  1337.95   30.078   46.188   2.0650   46.013   2.8317   46.386   3.0181  1335.41   41.244  1340.49   43.792 -5.083862 60.15632 
1 1 1   14   20   14 o  484.728   30.666   6.1014   0.7595   6.5039   1.0411   5.6438   1.1102  502.051   40.336  467.405   46.201 34.64594 61.33145 
1 1 1   14   20   16 o  1405.66   29.640   51.025   2.1350   51.144   2.9057   50.886   3.1474  1407.69   40.148  1403.63   43.614 4.062866 59.27990 
1 1 1   14   20   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   20   20 o  1904.16   34.173   92.389   3.1663   89.420   3.8657   98.441   5.5196  1860.44   40.415  1947.88   55.115 -87.43225 68.34511 
1 1 1   14   20   22 o  1399.39   38.713   51.606   2.4735   52.522   2.9107   49.225   4.6927  1425.48   39.716  1373.29   66.465 52.19788 77.42697 
1 1 1   14   20   24 o  704.085   29.527   12.833   1.0678   12.697   1.4752   12.981   1.5477  700.294   40.974  707.876   42.527 -7.582397 59.05407 
1 1 1   14   20   26 o  561.167   29.963   8.1432   0.8626   7.4473   1.1844   8.9292   1.2587  535.646   43.010  586.688   41.730 -51.04187 59.92699 
1 1 1   14   20   28 o  644.059   29.963   10.827   0.9880   11.621   1.3739   9.9766   1.4220  669.017   39.943  619.101   44.674 49.91583 59.92660 
1 1 1   14   20   30 o  251.997   45.988   1.7899   0.6255   2.3812   0.8426   1.0644   0.9334  295.964   57.448  208.030   71.828 87.93367 91.97539 
1 1 1   14   20   32 o  577.284   36.134   8.0691   1.0067   6.8928   1.1990   10.878   1.8530  513.081   45.454  641.487   56.183 -128.4055 72.26778 
1 1 1   14   20   34 o  1141.33   41.501   34.105   2.4352   34.105   2.4352   0.0000   0.0000  1141.33   41.501  ?   ?       ?      ? 
1 1 1   14   20   36 o  276.807   43.767   2.0748   0.5607   1.9952   0.6620   2.2771   1.0551  270.541   49.414  283.074   72.252 -12.53281 87.53303 
1 1 1   14   20   38 o  591.971   38.674   9.3460   1.0910   9.2365   1.3151   9.5876   1.9539  591.198   43.266  592.744   64.116 -1.546082 77.34856 
1 1 1   14   20   40 f  237.785   48.450   1.6147   0.6259   1.7280   0.8773   1.4972   0.8933  245.695   67.416  229.875   69.603 15.82071 96.89966 
1 1 1   14   20   42 o  175.594   38.762   0.8969   0.3694   1.0337   0.4101   0.3091   0.8502  193.702   42.359  157.486   64.930 36.21667 77.52484 
1 1 1   14   20   44 o  326.058   46.415   3.5175   0.6964   4.2253   0.8364   1.9172   1.2576  398.232   40.850  253.884   83.359 144.3481 92.82996 
1 1 1   14   20   46 o  126.613   42.311   0.4127   0.3235   0.4127   0.3235   0.0000   0.0000  126.613   42.311  ?   ?       ?      ? 
1 1 1   14   20   48 o  224.901   39.134   1.8043   0.4493   2.1394   0.4981   0.3421   1.0405  283.498   34.177  166.304   70.412 117.1937 78.26858 
1 1 1   14   20   50 o  268.680   43.746   1.6687   0.4678   1.3911   0.5089   3.1793   1.1872  220.716   46.326  316.645   74.221 -95.92924 87.49213 
1 1 1   14   20   52 o  298.658   45.075   3.2315   0.5889   3.6311   0.6676   1.8298   1.2504  365.820   35.493  231.496   82.869 134.3235 90.15031 
1 1 1   14   21    1 f  2457.96   41.104  158.828   4.2686  160.775   4.8354  151.953   9.0864  2497.36   37.660  2418.55   73.075 78.81079 82.20861 
1 1 1   14   21    3 o  552.156   44.771   8.0966   1.1590   8.4061   1.3952   7.4075   2.0819  570.558   47.561  533.754   75.865 36.80414 89.54114 
1 1 1   14   21    5 o  1421.84   33.107   52.647   2.3911   48.837   3.5943   55.672   3.2025  1374.74   50.854  1468.95   42.404 -94.21753 66.21373 
1 1 1   14   21    7 o  1776.64   31.753   81.626   2.8942   78.708   4.1845   84.302   4.0073  1745.86   46.619  1807.42   43.124 -61.55994 63.50586 
1 1 1   14   21    9 o  2069.14   30.987  110.517   3.2961  112.108   4.6626  108.927   4.6602  2084.08   43.515  2054.19   44.126 29.89795 61.97313 
1 1 1   14   21   11 o  316.916   32.145   2.5993   0.5226   2.7283   0.7286   2.4626   0.7500  325.090   43.596  308.742   47.252 16.34851 64.29091 
1 1 1   14   21   13 o  1073.59   30.207   29.790   1.6635   30.282   2.2880   29.238   2.4230  1083.18   41.085  1063.99   44.293 19.18481 60.41428 
1 1 1   14   21   15 o  746.781   36.623   14.683   1.3546   13.438   2.1830   15.463   1.7274  719.836   58.987  773.725   43.424 -53.88910 73.24680 
1 1 1   14   21   17 o  1758.97   56.018   80.229   5.0659   80.229   5.0659   0.0000   0.0000  1758.97   56.018  ?   ?       ?      ? 
1 1 1   14   21   19 o  1944.01   29.532   97.839   2.9398   99.723   4.0053   95.639   4.3284  1964.84   39.650  1923.17   43.776 41.67346 59.06312 
1 1 1   14   21   21 o  333.346   31.511   2.8707   0.5383   2.8076   0.7295   2.9462   0.7977  329.405   43.074  337.288   46.004 -7.882355 63.02182 
1 1 1   14   21   23 o  1171.91   29.723   35.788   1.7793   38.310   2.4421   32.934   2.5977  1216.80   39.037  1127.02   44.832 89.77893 59.44600 
1 1 1   14   21   25 o  1564.01   29.399   63.449   2.3603   63.450   3.2493   63.447   3.4344  1564.42   40.399  1563.60   42.723 0.8205566 58.79883 
1 1 1   14   21   27 o  871.012   29.633   19.697   1.3262   19.184   1.8377   20.255   1.9159  859.255   41.599  882.770   42.215 -23.51501 59.26680 
1 1 1   14   21   29 o  711.064   43.597   13.170   1.5806   11.156   2.1067   15.764   2.3905  649.301   63.110  772.828   60.165 -123.5269 87.19302 
1 1 1   14   21   31 o  160.968   34.724   0.6894   0.3204   0.8454   0.4246   0.4829   0.4884  176.492   46.236  145.445   51.819 31.04646 69.44814 
1 1 1   14   21   33 o  339.241   68.651   3.2021   1.1562   3.2021   1.1562   0.0000   0.0000  339.241   68.651  ?   ?       ?      ? 
1 1 1   14   21   35 o  607.869   39.486   9.9791   1.1278   10.162   1.3550   9.5670   2.0346  621.837   42.384  593.902   66.634 27.93488 78.97202 
1 1 1   14   21   37 o  295.461   43.167   2.5235   0.6028   2.7388   0.7338   2.0766   1.0572  321.827   44.347  269.094   74.074 52.73331 86.33438 
1 1 1   14   21   39 o  402.843   48.752   4.5087   0.9844   4.0068   1.3204   5.1370   1.4772  374.370   71.202  431.317   66.613 -56.94644 97.50404 
1 1 1   14   21   41 o  465.045   39.906   5.5537   0.8879   5.0193   1.0558   6.8442   1.6407  432.872   47.442  497.218   64.182 -64.34583 79.81271 
1 1 1   14   21   43 o  216.548   39.267   1.5265   0.4727   1.9320   0.5465   0.3207   0.9423  269.755   39.402  163.340   67.935 106.4149 78.53429 
1 1 1   14   21   45 o  244.540   52.661   1.6958   0.6425   1.6958   0.6425   0.0000   0.0000  244.540   52.661  ?   ?       ?      ? 
1 1 1   14   21   47 o  273.281   42.713   2.0236   0.4756   1.9433   0.5246   2.3943   1.1273  269.376   37.881  277.186   76.567 -7.809479 85.42568 
1 1 1   14   21   49 o  335.725   47.827   3.6486   0.7188   3.9676   0.8472   2.8287   1.3582  380.710   43.282  290.740   85.302 89.97012 95.65454 
1 1 1   14   21   51 o  149.488   37.101   0.3982   0.2938   0.2408   0.3253   1.0968   0.6851  108.285   41.587  190.690   61.452 -82.40423 74.20147 
1 1 1   14   22    0 o  1254.69   72.635   41.093   4.6495   41.093   4.6495   0.0000   0.0000  1254.69   72.635  1254.69   72.635 0.000000 0.000000 
1 1 1   14   22    2 o  564.181   51.059   8.2735   1.4788   7.6972   2.0764   8.8666   2.1066  544.069   74.232  584.294   70.127 -40.22491 102.1186 
1 1 1   14   22    4 o  840.720   41.407   18.950   1.4497   17.191   3.1026   19.441   1.6397  813.034   74.226  868.406   36.725 -55.37183 82.81396 
1 1 1   14   22    6 o  477.995   33.057   5.8946   0.8099   5.9832   1.1967   5.8197   1.1002  481.228   48.369  474.763   45.073 6.464691 66.11485 
1 1 1   14   22    8 o  1123.27   31.805   32.574   1.8358   32.766   2.6425   32.396   2.5522  1126.39   45.631  1120.15   44.316 6.234619 63.60937 
1 1 1   14   22   10 o  1006.44   31.151   26.155   1.6118   25.896   2.2732   26.417   2.2858  1001.42   44.152  1011.47   43.956 -10.04950 62.30198 
1 1 1   14   22   12 o  2705.77   35.990  189.200   4.8348  190.171   7.9531  188.630   6.0891  2709.05   57.102  2702.48   43.825 6.571045 71.98078 
1 1 1   14   22   14 o  1431.79   39.667   53.129   2.9199   52.822   4.1378   53.434   4.1209  1427.60   56.376  1435.97   55.818 -8.373047 79.33421 
1 1 1   14   22   16 o  742.200   41.176   14.230   1.5712   14.230   1.5712   0.0000   0.0000  742.200   41.176  ?   ?       ?      ? 
1 1 1   14   22   18 o  1265.09   36.630   41.883   2.2804   40.075   3.7786   42.919   2.8600  1241.80   59.184  1288.37   43.177 -46.56995 73.25993 
1 1 1   14   22   20 o  824.405   29.991   17.674   1.2632   18.611   1.7231   16.586   1.8573  848.482   39.501  800.328   45.139 48.15363 59.98238 
1 1 1   14   22   22 o  1309.28   29.464   44.156   1.9778   40.422   2.6884   48.563   2.9201  1249.21   41.859  1369.34   41.478 -120.1271 58.92889 
1 1 1   14   22   24 o  920.953   29.527   21.956   1.3956   21.266   1.9071   22.751   2.0477  905.566   40.963  936.341   42.536 -30.77509 59.05315 
1 1 1   14   22   26 o  929.813   30.024   22.597   1.4267   24.120   1.9600   20.881   2.0807  963.997   39.547  895.630   45.186 68.36676 60.04771 
1 1 1   14   22   28 o  206.639   42.312   1.1874   0.4372   1.2823   0.4956   0.8546   0.9282  217.730   45.725  195.547   71.208 22.18362 84.62487 
1 1 1   14   22   30 o  820.877   29.954   17.577   1.2628   17.304   1.7400   17.881   1.8355  814.384   41.558  827.371   43.149 -12.98676 59.90753 
1 1 1   14   22   32 o  426.805   44.191   4.8837   0.9664   4.4893   1.3777   5.2658   1.3560  408.977   65.520  444.634   59.318 -35.65726 88.38253 
1 1 1   14   22   34 o  539.657   39.606   7.8034   1.0030   7.8541   1.2000   7.6857   1.8270  546.732   42.692  532.583   66.722 14.14838 79.21165 
1 1 1   14   22   36 o  172.472   41.158   0.7046   0.3902   0.6366   0.4512   0.9064   0.7768  155.824   49.838  189.120   65.514 -33.29616 82.31587 
1 1 1   14   22   38 o  375.939   45.165   4.0151   0.7678   4.1485   0.9199   3.7089   1.3939  395.151   45.279  356.726   78.163 38.42517 90.33053 
1 1 1   14   22   40 o  243.080   43.443   1.8337   0.5512   2.1827   0.6510   0.9498   1.0360  286.315   44.223  199.844   74.790 86.47049 86.88576 
1 1 1   14   22   42 o  664.294   39.210   11.649   1.2502   10.942   1.5008   13.251   2.2600  638.854   45.693  689.734   63.732 -50.88000 78.41935 
1 1 1   14   22   44 o  360.579   75.308   3.8907   1.3510   3.8907   1.3510   0.0000   0.0000  360.579   75.308  ?   ?       ?      ? 
1 1 1   14   22   46 o  328.364   42.042   3.0829   0.5655   3.0815   0.6386   3.0878   1.2167  339.925   36.543  316.803   75.727 23.12152 84.08321 
1 1 1   14   22   48 o  222.077   41.157   1.6243   0.4856   1.9104   0.5562   0.7080   0.9955  265.385   40.767  178.768   71.509 86.61755 82.31309 
1 1 1   14   22   50 f  175.568   37.562   1.0118   0.3834   1.2278   0.4223   0.0000   0.9141  208.711   40.820  142.425   63.066 66.28610 75.12426 
1 1 1   14   23    1 o  1422.71   41.377   51.430   2.7343   54.754   5.1884   50.151   3.2173  1451.75   69.514  1393.67   44.902 58.08435 82.75465 
1 1 1   14   23    3 o  1360.98   33.208   47.806   2.3004   48.150   3.5158   47.548   3.0420  1364.81   50.105  1357.16   43.597 7.643677 66.41683 
1 1 1   14   23    5 o  907.993   31.579   21.761   1.4052   19.634   2.3108   23.009   1.7700  871.322   51.584  944.664   36.444 -73.34222 63.15892 
1 1 1   14   23    7 o  1321.44   29.549   44.901   1.9984   43.387   2.6826   46.789   2.9957  1296.70   40.239  1346.19   43.283 -49.47961 59.09809 
1 1 1   14   23    9 o  1586.24   38.510   65.404   2.9507   64.393   5.1212   65.906   3.6102  1575.05   63.243  1597.44   43.958 -22.38831 77.01922 
1 1 1   14   23   11 o  1666.37   37.721   73.039   3.0633   68.171   5.1473   75.709   3.8117  1620.66   61.776  1712.08   43.304 -91.41821 75.44202 
1 1 1   14   23   13 o  880.810   40.341   20.092   1.8255   21.114   2.6344   19.147   2.5320  902.373   56.784  859.246   57.317 43.12720 80.68234 
1 1 1   14   23   15 f  1126.10   33.999   31.846   1.8993   29.361   2.3538   36.484   3.2152  1065.79   42.957  1186.42   52.712 -120.6292 67.99856 
1 1 1   14   23   17 o  210.327   40.301   1.2497   0.4642   0.6571   0.7637   1.5969   0.5845  176.509   64.544  244.146   48.278 -67.63704 80.60230 
1 1 1   14   23   19 o  1690.15   29.754   73.801   2.5772   72.538   3.4937   75.308   3.8171  1674.70   40.577  1705.59   43.530 -30.89343 59.50881 
1 1 1   14   23   21 o  2071.80   29.601  110.778   3.1455  105.265   4.2727  117.302   4.6478  2015.98   41.223  2127.63   42.490 -111.6477 59.20100 
1 1 1   14   23   23 o  782.709   30.224   15.945   1.2110   16.463   1.6547   15.348   1.7771  796.828   40.391  768.591   44.973 28.23663 60.44824 
1 1 1   14   23   25 o  865.475   30.039   19.554   1.3301   20.602   1.8268   18.370   1.9404  890.847   39.886  840.103   44.926 50.74396 60.07713 
1 1 1   14   23   27 f  806.554   38.474   16.953   1.4392   16.783   1.6991   17.387   2.7078  803.069   41.152  810.039   65.020 -6.969727 76.94850 
1 1 1   14   23   29 f  812.348   36.367   17.467   1.4498   16.935   2.4219   17.763   1.8100  799.847   58.895  824.850   42.681 -25.00354 72.73400 
1 1 1   14   23   31 o  507.396   43.263   6.9032   1.1162   5.7340   1.5700   8.0983   1.5873  462.183   66.074  552.609   55.867 -90.42651 86.52689 
1 1 1   14   23   33 o  420.117   31.568   4.6442   0.6816   4.4906   0.9577   4.8020   0.9705  412.975   45.104  427.260   44.179 -14.28473 63.13594 
1 1 1   14   23   35 f  463.974   33.345   5.8272   0.7639   7.6969   1.0861   3.9965   1.0747  541.468   39.014  386.481   54.087 154.9872 66.68922 
1 1 1   14   23   37 o  472.386   50.601   7.2970   0.9881   8.7844   1.1956   4.0915   1.7552  577.097   40.296  367.675   92.834 209.4220 101.2024 
1 1 1   14   23   39 o  408.983   49.434   4.6142   0.9990   3.5198   1.3137   6.1148   1.5382  347.056   75.749  470.911   63.535 -123.8558 98.86728 
1 1 1   14   23   41 o  245.521   43.014   1.7963   0.5295   1.9976   0.6312   1.3179   0.9728  273.276   44.924  217.766   73.365 55.50969 86.02708 
1 1 1   14   23   43 o  315.526   72.022   2.9552   1.1426   2.9552   1.1426   0.0000   0.0000  315.526   72.022  ?   ?       ?      ? 
1 1 1   14   23   45 o  213.703   42.414   1.3055   0.4650   1.2688   0.5663   1.3814   0.8146  210.525   52.501  216.881   66.628 -6.356018 84.82762 
1 1 1   14   23   47 o  185.760   42.251   1.0153   0.4577   1.1569   0.5541   0.7112   0.8118  199.722   53.063  171.799   65.765 27.92259 84.50282 
1 1 1   14   23   49 o  458.246   45.037   6.2280   0.8115   6.2270   0.9123   6.2316   1.7762  479.838   36.979  436.655   82.134 43.18353 90.07482 
1 1 1   14   23   51 o  221.130   43.443   1.4881   0.4395   1.4827   0.4858   1.5123   1.0323  227.669   43.080  214.591   75.454 13.07808 86.88615 
1 1 1   14   24    0 o  155.614   49.234   0.7207   0.4628   1.5112   0.7669   0.2679   0.5804  209.206   77.046  102.022   61.318 0.000000 0.000000 
1 1 1   14   24    2 o  888.834   33.673   20.423   1.5247   20.380   2.3166   20.455   2.0251  887.695   50.759  889.972   44.259 -2.276672 67.34545 
1 1 1   14   24    4 o  699.069   29.981   12.571   1.0755   11.849   1.4670   13.409   1.5813  677.482   42.118  720.656   42.680 -43.17377 59.96252 
1 1 1   14   24    6 o  970.402   33.689   24.516   1.6617   23.034   2.5021   25.686   2.2227  943.505   51.582  997.299   43.350 -53.79401 67.37843 
1 1 1   14   24    8 o  133.430   32.914   0.4071   0.2771   0.4413   0.4054   0.3770   0.3797  137.339   47.342  129.520   45.741 7.818512 65.82884 
1 1 1   14   24   10 o  979.167   42.771   25.175   2.1205   22.867   3.2002   26.982   2.8312  937.728   66.379  1020.61   53.956 -82.87885 85.54205 
1 1 1   14   24   12 o  1534.10   35.368   61.059   2.7054   61.468   3.4377   60.393   4.3850  1542.21   43.357  1525.98   55.892 16.23376 70.73674 
1 1 1   14   24   14 o  1041.51   30.686   28.070   1.6404   28.511   2.2655   27.584   2.3783  1050.30   41.954  1032.70   44.794 17.59973 61.37290 
1 1 1   14   24   16 o  1193.91   46.270   36.711   2.8092   34.303   3.6654   40.139   4.3732  1147.87   62.109  1239.96   68.600 -92.09106 92.53916 
1 1 1   14   24   18 o  1344.43   30.088   46.722   2.0734   45.947   2.8144   47.641   3.0663  1332.58   41.079  1356.28   43.975 -23.69739 60.17660 
1 1 1   14   24   20 o  974.516   30.610   24.829   1.5190   26.643   2.0627   22.679   2.2453  1014.43   39.551  934.605   46.729 79.82294 61.21959 
1 1 1   14   24   22 o  1149.39   30.058   34.371   1.7677   35.192   2.4026   33.402   2.6101  1165.00   40.114  1133.79   44.777 31.21240 60.11686 
1 1 1   14   24   24 o  628.762   30.430   10.262   0.9823   9.9548   1.3463   10.612   1.4363  618.830   42.317  638.695   43.742 -19.86481 60.86074 
1 1 1   14   24   26 o  1043.17   29.895   28.351   1.5998   28.527   2.1950   28.151   2.3365  1047.10   40.773  1039.24   43.730 7.862549 59.78954 
1 1 1   14   24   28 o  1131.48   44.649   34.445   2.5568   37.178   3.4250   31.004   3.8427  1186.71   56.137  1076.24   69.447 110.4712 89.29865 
1 1 1   14   24   30 o  901.212   42.324   21.672   1.9509   19.089   2.7426   24.317   2.7758  844.992   63.130  957.433   56.391 -112.4410 84.64854 
1 1 1   14   24   32 o  708.963   30.500   13.199   1.1105   13.096   1.5324   13.313   1.6115  706.383   42.194  711.543   44.052 -5.160156 60.99907 
1 1 1   14   24   34 o  759.357   30.870   15.254   1.2014   16.308   1.6797   14.150   1.7190  787.235   41.502  731.479   45.709 55.75592 61.73920 
1 1 1   14   24   36 o  372.501   31.980   3.6913   0.6095   3.2758   0.8599   4.1107   0.8640  350.732   47.689  394.271   42.621 -43.53885 63.95964 
1 1 1   14   24   38 f  866.407   44.895   20.716   1.9935   21.373   2.7459   19.985   2.8989  883.656   60.441  849.159   66.400 34.49658 89.78901 
1 1 1   14   24   40 o  254.289   43.705   1.7018   0.5343   1.4203   0.6407   2.3449   0.9684  224.062   55.821  284.516   67.265 -60.45424 87.41059 
1 1 1   14   24   42 o  419.662   64.504   4.9508   1.3917   4.9508   1.3917   0.0000   0.0000  419.662   64.504  ?   ?       ?      ? 
1 1 1   14   24   44 o  250.587   43.963   1.9262   0.5523   2.1394   0.6556   1.4050   1.0251  280.988   45.385  220.185   75.307 60.80278 87.92551 
1 1 1   14   24   46 o  314.470   47.687   3.1189   0.6944   3.3644   0.8223   2.5086   1.2965  350.682   45.608  278.257   83.763 72.42590 95.37483 
1 1 1   14   24   48 o  280.307   52.195   2.4878   0.7667   2.0874   1.0476   2.9498   1.1251  254.956   74.948  305.657   72.664 -50.70097 104.3901 
1 1 1   14   24   50 o  122.006   36.218   0.2411   0.2551   0.2634   0.2667   0.0000   0.8755  105.344   38.199  138.668   61.545 -33.32438 72.43596 
1 1 1   14   25    1 o  778.271   42.416   15.597   1.6879   18.098   2.4966   13.492   2.2907  835.528   58.120  721.014   61.795 114.5138 84.83266 
1 1 1   14   25    3 f  525.460   37.355   7.1473   1.0037   7.1421   1.3510   7.1538   1.4995  525.437   50.011  525.484   55.503 -0.4730225E-01 74.71052 
1 1 1   14   25    5 o  676.203   37.507   11.803   1.3006   11.354   1.7655   12.335   1.9234  662.314   51.848  690.092   54.213 -27.77838 75.01457 
1 1 1   14   25    7 o  408.620   38.653   4.2965   0.8042   3.5267   1.0926   5.2068   1.1881  368.768   57.627  448.471   51.529 -79.70264 77.30547 
1 1 1   14   25    9 o  1291.35   36.134   42.950   2.3731   41.665   3.1143   44.730   3.6647  1269.05   47.733  1313.66   54.260 -44.61572 72.26750 
1 1 1   14   25   11 o  1091.96   31.801   30.876   1.7824   28.889   2.5243   32.851   2.5170  1056.67   46.467  1127.26   43.430 -70.59180 63.60287 
1 1 1   14   25   13 o  1352.20   31.083   47.333   2.1589   48.857   3.0233   45.747   3.0839  1374.66   42.777  1329.75   45.109 44.90454 62.16694 
1 1 1   14   25   15 o  550.180   48.692   7.5786   1.3439   5.7481   1.7238   10.415   2.1458  468.676   71.540  631.685   66.072 -163.0098 97.38311 
1 1 1   14   25   17 o  1508.76   30.330   58.919   2.3480   58.391   3.2135   59.524   3.4389  1501.84   41.619  1515.68   44.131 -13.83972 60.66035 
1 1 1   14   25   19 f  1424.86   30.335   52.810   2.2113   54.577   3.0138   50.748   3.2546  1451.46   40.386  1398.25   45.274 53.21240 60.66949 
1 1 1   14   25   21 o  211.099   35.757   1.2307   0.4141   1.7685   0.5581   0.5718   0.6178  261.043   41.582  161.155   58.183 99.88785 71.51395 
1 1 1   14   25   23 f  872.069   30.240   19.786   1.3509   19.881   1.8369   19.675   1.9937  874.779   40.843  869.359   44.605 5.420349 60.48000 
1 1 1   14   25   25 o  217.769   36.346   1.2954   0.4000   1.3591   0.5469   1.2222   0.5866  223.764   48.906  211.774   53.780 11.99043 72.69154 
1 1 1   14   25   27 o  709.827   45.361   13.479   1.6313   13.863   2.1531   12.960   2.4996  724.039   57.839  695.615   69.892 28.42358 90.72099 
1 1 1   14   25   29 o  686.012   42.381   12.544   1.4927   11.813   2.1122   13.273   2.1097  665.303   61.752  706.721   58.064 -41.41754 84.76258 
1 1 1   14   25   31 o  731.041   30.953   14.145   1.1544   15.659   1.6032   12.515   1.6635  773.162   40.332  688.920   46.965 84.24194 61.90668 
1 1 1   14   25   33 o  830.976   30.707   18.217   1.3103   18.464   1.8168   17.950   1.8915  837.423   42.198  824.528   44.619 12.89447 61.41325 
1 1 1   14   25   35 o  395.049   32.227   4.1349   0.6539   3.9782   0.9016   4.3089   0.9499  387.240   45.288  402.857   45.861 -15.61731 64.45322 
1 1 1   14   25   37 o  741.868   42.447   15.729   1.4364   16.769   1.7205   13.339   2.6094  795.426   42.071  688.310   73.737 107.1166 84.89456 
1 1 1   14   25   39 o  307.776   35.997   2.6653   0.5342   3.5685   0.7551   1.7608   0.7557  366.927   40.029  248.624   59.840 118.3035 71.99394 
1 1 1   14   25   41 o  155.418   42.544   0.4955   0.4749   0.5749   0.5893   0.3486   0.8018  155.591   56.727  155.246   63.419 0.3454590 85.08711 
1 1 1   14   25   43 o  130.921   38.100   0.2097   0.3320   0.1775   0.3667   0.3566   0.7821  108.587   43.415  153.255   62.621 -44.66759 76.19910 
1 1 1   14   25   45 o  530.792   45.062   8.2821   1.0826   8.5285   1.2819   7.6692   2.0218  559.588   44.557  501.997   78.338 57.59146 90.12369 
1 1 1   14   25   47 f  502.480   49.253   8.1057   1.0534   8.8777   1.2609   6.3218   1.9167  569.277   43.080  435.684   88.587 133.5929 98.50655 
1 1 1   14   25   49 o  203.357   47.097   1.1924   0.5197   1.0705   0.6065   1.5295   1.0084  188.802   57.393  217.913   74.689 -29.11084 94.19376 
1 1 1   14   26    0 o  1749.08   47.121   78.905   4.1620   76.359   5.4049   82.613   6.5238  1715.85   61.447  1782.31   71.455 -0.000000 0.000000 
1 1 1   14   26    2 o  1162.27   30.094   34.830   1.7878   34.292   2.3937   35.510   2.6886  1152.41   40.400  1172.13   44.615 -19.71729 60.18894 
1 1 1   14   26    4 o  368.253   31.805   3.5651   0.5919   4.0564   0.8075   2.9946   0.8702  396.370   39.627  340.136   49.759 56.23404 63.61007 
1 1 1   14   26    6 o  1723.03   29.958   76.499   2.6494   73.102   3.6200   80.416   3.8878  1682.07   41.860  1763.99   42.868 -81.92529 59.91624 
1 1 1   14   26    8 f  729.446   30.257   13.616   1.1269   11.607   1.5181   16.081   1.6820  670.007   44.070  788.885   41.470 -118.8774 60.51365 
1 1 1   14   26   10 o  1885.31   32.157   92.000   3.1131   91.139   4.5050   92.786   4.3068  1876.54   46.694  1894.08   44.227 -17.53772 64.31477 
1 1 1   14   26   12 o  2214.39   31.580  126.908   3.5948  125.430   5.1048  128.361   5.0632  2201.46   45.103  2227.32   44.215 -25.86572 63.16020 
1 1 1   14   26   14 o  1283.08   48.121   42.885   3.1326   41.997   4.0924   44.142   4.8682  1268.76   62.738  1297.40   72.983 -28.64294 96.24280 
1 1 1   14   26   16 f  227.889   37.039   1.4056   0.4284   1.0899   0.6004   1.7329   0.6113  201.564   55.957  254.215   48.543 -52.65074 74.07812 
1 1 1   14   26   18 o  628.860   31.003   10.222   0.9996   9.2391   1.3698   11.341   1.4621  596.555   44.663  661.165   43.012 -64.61047 62.00601 
1 1 1   14   26   20 o  888.744   30.565   20.560   1.3903   20.972   1.8904   20.075   2.0520  898.948   40.903  878.540   45.430 20.40820 61.13067 
1 1 1   14   26   22 o  598.498   30.801   9.2652   0.9445   8.6369   1.2735   10.033   1.4082  576.177   42.990  620.819   44.120 -44.64221 61.60134 
1 1 1   14   26   24 o  897.168   31.727   21.507   1.4258   25.688   1.9565   16.774   2.0819  994.200   38.278  800.135   50.609 194.0649 63.45469 
1 1 1   14   26   26 o  767.010   46.527   15.834   1.7989   16.541   2.3599   14.855   2.7793  790.693   58.053  743.328   72.726 47.36517 93.05487 
1 1 1   14   26   28 o  397.164   37.517   4.1987   0.7232   4.2622   0.8918   4.0769   1.2358  403.455   42.993  390.873   61.497 12.58237 75.03495 
1 1 1   14   26   30 o  174.009   36.069   0.7987   0.3512   1.0660   0.5114   0.5603   0.4831  197.030   50.312  150.987   51.698 46.04291 72.13818 
1 1 1   14   26   32 o  553.090   31.555   8.1285   0.8909   8.8795   1.2325   7.3066   1.2893  581.078   41.257  525.102   47.757 55.97522 63.10989 
1 1 1   14   26   34 o  507.186   31.640   6.8455   0.8211   7.4560   1.1477   6.2053   1.1752  531.353   42.012  483.019   47.323 48.33420 63.28063 
1 1 1   14   26   36 o  484.470   32.946   6.2258   0.8036   4.6733   1.0911   8.0661   1.1879  417.113   50.879  551.828   41.871 -134.7152 65.89272 
1 1 1   14   26   38 o  466.995   39.468   5.9176   0.9012   6.0145   1.5308   5.8661   1.1149  465.815   63.919  468.175   46.318 -2.359253 78.93668 
1 1 1   14   26   40 o  379.206   44.992   4.3464   0.7896   3.1271   1.2806   5.0944   1.0029  322.572   78.061  435.840   44.759 -113.2679 89.98302 
1 1 1   14   26   42 o  210.848   41.766   1.4002   0.5207   1.8734   0.6283   0.3626   0.9304  258.688   49.035  163.008   67.625 95.67984 83.53170 
1 1 1   14   26   44 o  312.762   45.756   3.6685   0.7530   4.9516   0.9031   0.7417   1.3639  428.507   40.993  197.016   81.818 231.4909 91.51295 
1 1 1   14   26   46 o  339.873   44.493   3.0322   0.6841   2.4975   0.7951   4.5560   1.3423  293.511   54.706  386.235   70.184 -92.72400 88.98606 
1 1 1   14   26   48 o  249.277   46.995   2.0634   0.5915   2.2421   0.6878   1.5561   1.1592  278.448   49.878  220.105   79.665 58.34317 93.99094 
1 1 1   14   27    1 o  2148.46   33.080  119.482   3.6512  118.272   5.2513  120.614   5.0802  2137.62   47.782  2159.29   45.761 -21.66992 66.16046 
1 1 1   14   27    3 o  926.526   34.351   22.598   1.6074   19.515   2.3994   25.108   2.1651  867.493   53.798  985.559   42.729 -118.0654 68.70194 
1 1 1   14   27    5 o  1689.32   27.918   73.839   2.4143   72.270   3.5629   75.171   3.2829  1672.29   41.441  1706.35   37.421 -34.06592 55.83621 
1 1 1   14   27    7 o  724.769   28.062   13.507   1.0431   14.540   1.5417   12.635   1.4165  750.177   39.973  699.360   39.396 50.81689 56.12374 
1 1 1   14   27    9 o  786.261   30.482   16.100   1.2208   16.979   1.6473   15.030   1.8181  810.610   39.528  761.912   46.412 48.69818 60.96370 
1 1 1   14   27   11 o  301.272   35.864   2.3985   0.5409   2.2910   0.7906   2.4932   0.7417  292.348   54.607  310.197   46.509 -17.84973 71.72845 
1 1 1   14   27   13 o  1233.69   48.758   39.623   3.0649   38.017   4.0387   41.804   4.7066  1205.67   65.154  1261.71   72.556 -56.04065 97.51587 
1 1 1   14   27   15 o  1054.07   31.686   28.977   1.7065   32.231   2.3926   25.607   2.4347  1115.27   41.728  992.867   47.696 122.4060 63.37295 
1 1 1   14   27   17 o  833.745   30.958   18.072   1.3244   18.494   1.8300   17.608   1.9192  844.276   42.160  823.214   45.345 21.06213 61.91646 
1 1 1   14   27   19 o  210.483   38.468   1.1976   0.4189   1.1195   0.5739   1.2866   0.6130  203.352   53.986  217.615   54.816 -14.26302 76.93666 
1 1 1   14   27   21 o  277.096   36.420   2.1121   0.4968   2.6175   0.6801   1.5342   0.7273  317.248   41.696  236.945   59.724 80.30251 72.83919 
1 1 1   14   27   23 o  373.428   33.189   3.6385   0.6350   3.5674   0.8597   3.7240   0.9421  369.638   45.236  377.218   48.577 -7.579590 66.37769 
1 1 1   14   27   25 f  764.819   47.729   16.003   1.8135   17.448   2.3575   13.908   2.8385  812.553   56.432  717.085   76.993 95.46777 95.45890 
1 1 1   14   27   27 o  304.796   46.625   2.5884   0.7097   2.8263   0.9930   2.3400   1.0148  320.301   62.544  289.291   69.164 31.01050 93.24971 
1 1 1   14   27   29 o  916.525   30.940   22.226   1.4470   23.849   1.9812   20.371   2.1185  954.106   40.389  878.944   46.881 75.16229 61.87995 
1 1 1   14   27   31 o  751.539   31.080   14.881   1.1991   14.610   1.6451   15.189   1.7514  744.650   42.970  758.427   44.916 -13.77722 62.16026 
1 1 1   14   27   33 o  358.000   33.558   3.4183   0.6156   3.5740   0.8506   3.2472   0.8920  367.170   45.062  348.829   49.738 18.34149 67.11528 
1 1 1   14   27   35 o  486.578   31.673   6.2941   0.7921   6.1839   1.1050   6.4106   1.1362  482.281   44.564  490.876   45.020 -8.594543 63.34635 
1 1 1   14   27   37 o  229.721   51.103   1.4915   0.6807   1.1985   0.9533   1.7963   0.9721  210.741   72.602  248.702   71.938 -37.96185 102.2061 
1 1 1   14   27   39 f  246.331   41.922   1.6140   0.5078   2.2509   0.8711   1.2861   0.6251  279.900   62.153  212.763   56.276 67.13722 83.84486 
1 1 1   14   27   41 o  246.461   36.256   1.7041   0.4556   1.0867   0.6306   2.3782   0.6589  195.449   58.325  297.473   43.083 -102.0238 72.51187 
1 1 1   14   27   43 o  180.761   42.808   0.9077   0.4406   0.9605   0.5106   0.7539   0.8717  183.537   51.830  177.984   68.145 5.552704 85.61607 
1 1 1   14   27   45 o  272.163   45.870   2.5716   0.6492   3.1182   0.7644   1.1568   1.2299  337.509   44.053  206.816   80.470 130.6923 91.73938 
1 1 1   14   27   47 o  200.886   44.988   1.2677   0.5790   1.7491   0.7212   0.3946   0.9713  240.661   58.790  161.110   68.112 79.55185 89.97509 
1 1 1   14   28    0 o  634.830   54.015   11.116   1.6188   11.944   2.0962   9.8923   2.5478  671.239   61.956  598.422   88.497 -0.000000 0.000000 
1 1 1   14   28    2 o  411.166   32.041   4.3658   0.6728   4.2987   0.8978   4.4517   1.0161  407.715   42.828  414.617   47.669 -6.902039 64.08250 
1 1 1   14   28    4 o  273.635   35.282   2.2464   0.4751   3.5991   0.6481   0.6752   0.6985  373.470   33.755  173.800   61.967 199.6704 70.56376 
1 1 1   14   28    6 o  886.775   28.159   20.310   1.2793   20.524   1.8945   20.130   1.7345  890.889   41.363  882.662   38.221 8.227051 56.31783 
1 1 1   14   28    8 o  1226.29   30.231   38.813   1.9006   37.564   2.5774   40.303   2.8140  1204.94   41.605  1247.65   43.870 -42.70789 60.46104 
1 1 1   14   28   10 o  1380.57   32.743   49.431   2.3191   49.269   3.3881   49.574   3.1812  1378.05   47.822  1383.10   44.737 -5.050537 65.48513 
1 1 1   14   28   12 o  743.246   50.952   14.569   1.9199   14.783   2.5261   14.277   2.9541  751.194   65.409  735.297   78.143 15.89691 101.9049 
1 1 1   14   28   14 o  868.286   31.953   19.589   1.4244   20.841   2.0202   18.351   2.0088  896.147   43.847  840.424   46.490 55.72296 63.90559 
1 1 1   14   28   16 o  883.762   31.780   20.398   1.4367   22.235   2.0038   18.455   2.0609  925.488   42.114  842.035   47.606 83.45239 63.56025 
1 1 1   14   28   18 o  629.635   31.619   10.290   1.0186   8.9638   1.4039   11.764   1.4802  586.590   46.552  672.681   42.801 -86.09143 63.23795 
1 1 1   14   28   20 o  220.327   38.246   1.3298   0.4311   1.4666   0.5935   1.1770   0.6272  232.372   51.075  208.282   56.943 24.09006 76.49256 
1 1 1   14   28   22 o  174.890   36.409   0.8042   0.3599   1.0722   0.5097   0.5378   0.5082  198.476   49.982  151.304   52.956 47.17195 72.81818 
1 1 1   14   28   24 o  759.730   37.421   14.953   1.4203   16.298   2.3391   14.167   1.7875  784.451   57.998  735.009   47.303 49.44183 74.84194 
1 1 1   14   28   26 o  859.026   42.242   19.675   1.8604   17.861   2.6075   21.556   2.6551  817.481   62.040  900.571   57.346 -83.08978 84.48396 
1 1 1   14   28   28 o  318.961   42.409   2.7329   0.6516   3.1078   1.0787   2.5176   0.8175  334.389   65.089  303.533   54.385 30.85556 84.81886 
1 1 1   14   28   30 o  572.103   32.029   8.7065   0.9349   9.3599   1.2806   7.9608   1.3680  596.406   41.763  547.800   48.573 48.60529 64.05821 
1 1 1   14   28   32 o  537.836   32.250   7.6568   0.8905   7.3555   1.2207   7.9997   1.3020  526.742   45.075  548.930   46.135 -22.18829 64.49929 
1 1 1   14   28   34 o  295.755   36.273   2.3891   0.5367   2.6819   0.7623   2.1015   0.7556  317.095   46.758  274.415   55.468 42.67999 72.54623 
1 1 1   14   28   36 o  402.073   47.693   4.7816   0.8494   5.0946   1.0150   4.0498   1.5518  436.838   45.194  367.307   84.000 69.53085 95.38554 
1 1 1   14   28   38 o  381.227   45.814   4.2855   0.7992   3.6371   1.3880   4.6071   0.9774  348.208   79.306  414.246   45.894 -66.03760 91.62807 
1 1 1   14   28   40 o  295.541   42.861   2.5244   0.6108   2.6224   0.7578   2.3426   1.0317  311.083   47.382  279.998   71.436 31.08578 85.72105 
1 1 1   14   28   42 o  174.248   36.219   0.8597   0.3538   1.0592   0.4867   0.6363   0.5150  193.006   48.973  155.489   53.375 37.51640 72.43784 
1 1 1   14   28   44 o  291.688   37.907   2.4526   0.5495   2.8981   0.7684   1.9861   0.7862  324.707   46.026  258.668   60.244 66.03854 75.81377 
1 1 1   14   28   46 o  262.136   53.766   2.2138   0.7558   2.0873   0.9746   2.4047   1.1972  255.909   71.379  268.363   80.426 -12.45483 107.5323 
1 1 1   14   28   48 o  238.864   54.145   1.7153   0.6496   1.7153   0.6496   0.0000   0.0000  238.864   54.145  ?   ?       ?      ? 
1 1 1   14   29    1 o  2008.81   33.526  104.650   3.4598  103.493   4.9748  105.734   4.8150  1997.68   48.437  2019.93   46.365 -22.25439 67.05112 
1 1 1   14   29    3 o  1366.36   30.566   47.871   2.1368   42.940   2.8651   54.051   3.2077  1287.83   43.272  1444.89   43.181 -157.0663 61.13158 
1 1 1   14   29    5 o  640.566   33.678   10.177   1.0811   8.6426   1.3559   12.853   1.7910  577.442   45.673  703.691   49.504 -126.2488 67.35516 
1 1 1   14   29    7 f  212.600   34.341   1.2028   0.3664   1.4223   0.5513   1.0290   0.4905  229.891   48.182  195.309   48.947 34.58182 68.68265 
1 1 1   14   29    9 o  1013.78   30.383   26.539   1.5785   25.479   2.1325   27.825   2.3476  991.681   41.826  1035.88   44.081 -44.19525 60.76615 
1 1 1   14   29   11 o  595.815   51.743   9.0952   1.5477   6.7416   2.0246   12.405   2.4008  504.664   78.029  686.966   67.976 -182.3018 103.4857 
1 1 1   14   29   13 o  494.079   32.862   6.3342   0.8338   6.7555   1.2093   5.9524   1.1512  509.745   46.143  478.413   46.802 31.33276 65.72415 
1 1 1   14   29   15 o  451.257   32.329   5.3005   0.7498   5.4302   1.0577   5.1694   1.0631  456.891   45.029  445.622   46.400 11.26837 64.65774 
1 1 1   14   29   17 f  827.766   31.618   17.842   1.3451   17.815   1.8752   17.870   1.9304  827.276   44.089  828.257   45.333 -0.9804077 63.23686 
1 1 1   14   29   19 o  1088.01   31.181   30.796   1.7424   29.420   2.3984   32.333   2.5355  1062.40   43.910  1113.63   44.284 -51.23779 62.36291 
1 1 1   14   29   21 o  1019.22   31.017   27.105   1.6222   26.838   2.2217   27.410   2.3741  1014.29   42.604  1024.14   45.090 -9.851379 62.03356 
1 1 1   14   29   23 o  573.675   42.488   8.7326   1.2522   9.2045   1.8023   8.2923   1.7412  588.808   59.535  558.542   60.634 30.26660 84.97581 
1 1 1   14   29   25 o  1269.95   59.298   42.993   3.8716   42.993   3.8716   0.0000   0.0000  1269.95   59.298  ?   ?       ?      ? 
1 1 1   14   29   27 o  344.838   36.777   3.2495   0.6237   3.6990   0.8508   2.7272   0.9171  374.977   44.130  314.699   58.846 60.27768 73.55495 
1 1 1   14   29   29 f  1198.85   30.921   37.804   1.9027   36.046   2.6017   39.825   2.7898  1169.29   43.279  1228.41   44.174 -59.12158 61.84167 
1 1 1   14   29   31 o  305.406   35.798   2.5598   0.5408   2.8537   0.7382   2.2193   0.7946  328.370   43.728  282.441   56.692 45.92917 71.59650 
1 1 1   14   29   33 o  319.212   44.602   2.8567   0.6740   2.8058   1.1777   2.8815   0.8220  310.241   74.726  328.183   48.715 -17.94165 89.20303 
1 1 1   14   29   35 o  310.103   33.405   2.5666   0.5308   2.4683   0.7168   2.6860   0.7898  303.908   45.876  316.298   48.570 -12.38992 66.81066 
1 1 1   14   29   37 o  482.862   47.124   6.2723   1.1699   0.0000   0.0000   6.2723   1.1699  ?   ?   482.862   47.124      ?      ? 
1 1 1   14   29   39 o  723.451   38.364   14.455   1.3385   14.585   1.6418   14.197   2.3113  736.925   43.334  709.977   63.319 26.94836 76.72757 
1 1 1   14   29   41 o  159.284   34.309   0.6775   0.3227   0.9982   0.4621   0.3721   0.4509  187.730   47.762  130.838   49.267 56.89258 68.61792 
1 1 1   14   29   43 o  188.728   35.689   1.0345   0.3762   1.4624   0.5187   0.5595   0.5465  227.475   45.933  149.981   54.634 77.49438 71.37746 
1 1 1   14   29   45 o  175.065   36.859   0.8664   0.3540   0.7271   0.4627   1.0629   0.5496  160.051   50.390  190.079   53.808 -30.02708 73.71888 
1 1 1   14   29   47 o  335.658   49.539   4.4305   0.8378   5.5930   0.9986   1.6658   1.5400  447.896   43.364  223.421   89.085 224.4748 99.07866 
1 1 1   14   30    0 o  3195.34   48.809  267.019   7.8910  256.520   12.116  274.754   10.399  3136.92   75.223  3253.76   62.214 0.000000 0.000000 
1 1 1   14   30    2 o  702.359   34.437   12.775   1.2416   13.587   1.8174   12.064   1.7001  723.206   48.880  681.512   48.521 41.69415 68.87340 
1 1 1   14   30    4 o  1169.21   30.890   35.547   1.8469   36.556   2.5075   34.352   2.7305  1187.97   41.056  1150.45   46.164 37.51733 61.77930 
1 1 1   14   30    6 o  455.252   29.500   5.3778   0.6873   5.3035   1.0182   5.4400   0.9315  452.169   43.799  458.335   39.531 -6.166107 59.00034 
1 1 1   14   30    8 o  836.134   37.731   18.219   1.6216   17.838   2.2637   18.621   2.3241  827.179   53.230  845.089   53.490 -17.91071 75.46251 
1 1 1   14   30   10 o  675.593   47.862   12.210   1.4999   12.482   1.7864   11.560   2.7616  692.169   50.199  659.017   81.506 33.15247 95.72443 
1 1 1   14   30   12 o  1149.08   32.905   34.241   1.9374   38.426   2.8265   30.532   2.6610  1215.46   45.230  1082.70   47.803 132.7620 65.80994 
1 1 1   14   30   14 o  991.928   32.386   25.651   1.6496   24.319   2.3410   26.965   2.3248  965.944   47.138  1017.91   44.423 -51.96802 64.77206 
1 1 1   14   30   16 o  258.907   36.652   1.8186   0.4792   1.0305   0.6641   2.6751   0.6923  197.162   60.083  320.652   41.995 -123.4898 73.30447 
1 1 1   14   30   18 o  509.507   32.652   6.7671   0.8514   5.9185   1.1760   7.7019   1.2342  475.663   48.088  543.351   44.183 -67.68784 65.30378 
1 1 1   14   30   20 o  403.459   39.379   3.9993   0.7833   5.4164   1.3665   3.3056   0.9560  452.440   58.745  354.478   52.457 97.96216 78.75713 
1 1 1   14   30   22 f  732.098   42.586   14.212   1.5994   14.900   2.3583   13.626   2.1763  748.001   61.325  716.195   59.105 31.80560 85.17104 
1 1 1   14   30   24 o  599.448   51.403   10.014   1.5145   10.831   1.9375   8.7315   2.4285  637.158   59.146  561.739   84.089 75.41895 102.8061 
1 1 1   14   30   26 o  730.059   31.431   13.934   1.1727   11.975   1.5934   16.249   1.7323  673.849   45.993  786.269   42.853 -112.4196 62.86236 
1 1 1   14   30   28 o  263.294   36.742   1.8339   0.4857   1.1242   0.6420   2.7840   0.7428  201.923   58.475  324.666   44.502 -122.7423 73.48315 
1 1 1   14   30   30 o  578.465   32.063   8.8889   0.9497   9.0230   1.2928   8.7318   1.3997  584.093   43.052  572.838   47.526 11.25513 64.12611 
1 1 1   14   30   32 o  356.841   33.543   3.4035   0.6140   3.4560   0.8451   3.3448   0.8937  360.258   45.625  353.425   49.183 6.833282 67.08698 
1 1 1   14   30   34 o  244.147   41.641   1.7944   0.5508   0.8934   0.8813   2.3720   0.7056  190.419   69.377  297.874   46.074 -107.4547 83.28291 
1 1 1   14   30   36 o  496.849   74.955   7.0901   1.9147   0.0000   0.0000   7.0901   1.9147  ?   ?   496.849   74.955      ?      ? 
1 1 1   14   30   38 o  145.712   33.942   0.5109   0.3349   0.8965   0.4436   0.0000   0.5106  178.837   47.459  112.588   48.536 66.24939 67.88300 
1 1 1   14   30   40 o  788.959   33.908   17.344   1.3365   21.187   1.8576   13.219   1.9244  888.009   40.688  689.910   54.255 198.0988 67.81698 
1 1 1   14   30   42 o  598.851   33.202   9.8178   1.0189   8.7975   1.3951   10.984   1.4915  564.737   48.051  632.966   45.831 -68.22937 66.40332 
1 1 1   14   30   44 o  324.822   36.238   2.9974   0.5789   2.2946   0.7932   3.7983   0.8467  278.536   57.301  371.108   44.377 -92.57132 72.47604 
1 1 1   14   30   46 o  212.049   47.835   1.4290   0.6683   2.1325   0.8711   0.4228   1.0419  260.160   65.246  163.939   69.970 96.22125 95.67014 
1 1 1   14   31    1 o  640.568   34.694   10.688   1.1414   10.299   1.6312   11.061   1.5976  628.932   50.446  652.205   47.644 -23.27301 69.38856 
1 1 1   14   31    3 o  1391.09   30.930   49.934   2.2024   47.199   2.9517   53.369   3.3079  1348.74   42.567  1433.44   44.886 -84.69873 61.85969 
1 1 1   14   31    5 o  1653.27   28.583   71.044   2.4187   68.834   3.5606   72.937   3.2957  1628.58   42.525  1677.95   38.203 -49.37231 57.16540 
1 1 1   14   31    7 o  845.005   34.646   18.726   1.4546   19.118   1.8462   18.086   2.3620  858.222   41.843  831.787   55.233 26.43530 69.29259 
1 1 1   14   31    9 o  974.854   47.991   25.709   2.1759   26.647   2.6071   23.554   3.9502  1010.71   50.172  938.996   81.824 71.71655 95.98151 
1 1 1   14   31   11 o  1014.83   30.656   26.717   1.5918   26.126   2.1386   27.452   2.3836  1002.77   41.481  1026.90   45.148 -24.13104 61.31101 
1 1 1   14   31   13 o  408.137   34.863   4.3193   0.7205   5.4563   1.0681   3.3700   0.9759  457.555   45.404  358.719   52.917 98.83591 69.72594 
1 1 1   14   31   15 f  585.697   33.216   8.9577   1.0000   9.2331   1.4264   8.6915   1.4022  594.610   46.659  576.784   47.287 17.82538 66.43134 
1 1 1   14   31   17 o  695.918   32.504   12.668   1.1593   11.419   1.6246   13.965   1.6548  660.446   47.847  731.390   44.008 -70.94385 65.00780 
1 1 1   14   31   19 o  960.112   39.850   24.591   1.8560   23.648   3.1663   25.085   2.2909  941.372   65.421  978.852   45.521 -37.47943 79.70026 
1 1 1   14   31   21 f  599.920   36.890   9.4093   1.0934   9.1725   1.3619   9.8389   1.8339  591.479   44.784  608.361   58.633 -16.88257 73.77994 
1 1 1   14   31   23 o  1204.82   43.982   39.272   2.3351   39.638   2.6968   38.174   4.6679  1229.34   42.668  1180.30   76.923 49.03674 87.96452 
1 1 1   14   31   25 o  504.350   33.200   6.7288   0.8588   6.8756   1.1831   6.5651   1.2487  510.713   45.058  497.987   48.774 12.72589 66.40099 
1 1 1   14   31   27 o  836.600   31.837   18.344   1.3596   15.553   1.8390   21.709   2.0191  766.140   46.688  907.059   43.296 -140.9188 63.67344 
1 1 1   14   31   29 o  176.778   36.881   0.8252   0.3922   1.2901   0.5417   0.3135   0.5684  215.777   49.837  137.779   54.379 77.99713 73.76144 
1 1 1   14   31   31 o  583.144   34.047   9.2989   0.9947   10.936   1.3576   7.4012   1.4614  642.925   41.072  523.363   54.313 119.5612 68.09409 
1 1 1   14   31   33 o  455.939   33.412   5.5388   0.7672   4.1737   1.0425   7.1517   1.1332  393.191   51.572  518.686   42.496 -125.4950 66.82499 
1 1 1   14   31   35 o  545.988   79.221   8.6674   2.2238   0.0000   0.0000   8.6674   2.2238  ?   ?   545.988   79.221      ?      ? 
1 1 1   14   31   37 o  471.872   38.479   6.0865   0.8935   5.9941   1.1121   6.2545   1.5005  471.307   45.896  472.437   61.775 -1.129852 76.95869 
1 1 1   14   31   39 o  630.196   34.234   11.019   1.0861   13.100   1.5110   8.7947   1.5621  697.276   42.148  563.115   53.958 134.1611 68.46851 
1 1 1   14   31   41 o  178.769   39.127   0.8915   0.3902   0.7913   0.5026   1.0436   0.6193  167.682   52.471  189.857   58.056 -22.17490 78.25385 
1 1 1   14   31   43 f  130.566   34.030   0.4003   0.3020   0.3270   0.4169   0.4812   0.4379  123.542   47.169  137.591   49.064 -14.04828 68.05986 
1 1 1   14   31   45 f  115.672   35.985   0.0000   0.3839   0.0000   0.4583   0.0000   0.7025  104.759   45.569  126.585   55.704 -21.82536 71.96906 
1 1 1   14   32    0 o  145.737   53.726   0.7222   0.5154   1.1366   0.8622   0.4918   0.6428  171.809   83.390  119.665   67.765 0.000000 0.000000 
1 1 1   14   32    2 o  750.786   35.005   14.765   1.3445   13.684   1.9507   15.744   1.8556  723.842   52.419  777.730   46.407 -53.88849 70.00928 
1 1 1   14   32    4 o  650.837   31.505   11.004   1.0498   10.876   1.4178   11.160   1.5620  646.966   42.624  654.708   46.404 -7.741699 63.00917 
1 1 1   14   32    6 o  979.540   34.137   24.471   1.6778   22.677   2.1200   27.478   2.7449  933.667   44.165  1025.41   52.066 -91.74420 68.27482 
1 1 1   14   32    8 o  589.764   33.445   9.1717   0.9706   8.6987   1.6034   9.4453   1.2195  576.342   54.112  603.186   39.323 -26.84393 66.89056 
1 1 1   14   32   10 o  1240.45   30.893   40.038   1.9632   39.743   2.6621   40.388   2.9067  1236.09   41.890  1244.81   45.418 -8.715576 61.78621 
1 1 1   14   32   12 o  272.412   38.721   1.9448   0.5333   2.9808   0.8084   1.1462   0.7097  337.893   46.533  206.931   61.902 130.9617 77.44157 
1 1 1   14   32   14 o  528.396   34.084   7.3177   0.9246   6.9958   1.3225   7.6254   1.2931  516.700   49.784  540.093   46.568 -23.39301 68.16859 
1 1 1   14   32   16 o  264.887   46.057   1.9250   0.5843   1.9209   1.0767   1.9267   0.6957  263.522   75.560  266.251   52.685 -2.729095 92.11426 
1 1 1   14   32   18 o  251.516   48.697   1.7601   0.6444   1.6642   0.9961   1.8291   0.8450  246.090   73.271  256.941   64.163 -10.85141 97.39348 
1 1 1   14   32   20 o  686.595   36.160   12.146   1.2474   11.121   1.5780   13.853   2.0366  650.276   47.199  722.913   54.795 -72.63733 72.32015 
1 1 1   14   32   22 o  704.034   45.246   13.176   1.4014   13.018   1.6086   13.672   2.8544  703.626   44.466  704.442   78.814 -0.8153076 90.49264 
1 1 1   14   32   24 o  149.417   38.795   0.5027   0.3755   0.2762   0.7068   0.5918   0.4432  147.214   59.771  151.620   49.473 -4.406067 77.58913 
1 1 1   14   32   26 o  200.100   37.357   1.0870   0.4066   0.6571   0.5619   1.5595   0.5891  162.210   55.744  237.990   49.746 -75.78001 74.71353 
1 1 1   14   32   28 o  246.514   38.269   1.6927   0.4716   1.6934   0.6741   1.6920   0.6601  246.426   54.640  246.601   53.595 -0.1751404 76.53740 
1 1 1   14   32   30 o  462.057   34.174   5.7902   0.7991   6.4067   1.0825   5.0519   1.1846  491.402   42.847  432.711   53.250 58.69171 68.34759 
1 1 1   14   32   32 o  183.400   37.322   0.9341   0.3811   1.1878   0.5276   0.6572   0.5511  206.150   50.238  160.649   55.207 45.50111 74.64332 
1 1 1   14   32   34 o  674.148   49.908   12.697   1.7141   11.390   2.2468   14.517   2.6513  634.870   68.835  713.427   72.283 -78.55713 99.81533 
1 1 1   14   32   36 o  280.049   39.687   2.0442   0.5566   1.2354   0.7050   3.3834   0.9071  207.590   61.603  352.508   50.054 -144.9170 79.37436 
1 1 1   14   32   38 o  716.259   32.302   13.941   1.1875   14.127   1.6405   13.737   1.7212  722.529   44.161  709.988   47.153 12.54126 64.60362 
1 1 1   14   32   40 o  252.558   37.714   1.8320   0.4736   1.7309   0.6466   1.9489   0.6955  245.115   52.863  260.001   53.805 -14.88612 75.42869 
1 1 1   14   32   42 o  353.443   37.559   3.5752   0.6526   2.7831   0.9043   4.4356   0.9426  306.362   59.560  400.524   45.773 -94.16220 75.11734 
1 1 1   14   32   44 o  249.305   43.391   2.2875   0.6271   2.9375   0.7293   0.4449   1.2280  325.155   43.626  173.456   75.019 151.6994 86.78226 
1 1 1   14   33    1 f  560.871   47.866   8.4942   1.2388   8.7271   1.4730   7.9316   2.2894  578.045   49.566  543.697   81.902 34.34875 95.73228 
1 1 1   14   33    3 o  268.731   52.533   1.9206   0.6778   1.8881   0.7791   2.0219   1.3743  263.002   59.066  274.459   86.891 -11.45721 105.0659 
1 1 1   14   33    5 o  738.359   46.943   14.324   1.6475   14.147   1.9798   14.721   2.9708  735.061   52.386  741.656   77.911 -6.594543 93.88538 
1 1 1   14   33    7 o  857.439   32.730   19.314   1.3892   18.681   2.2763   19.690   1.7537  844.366   52.436  870.512   39.183 -26.14600 65.45906 
1 1 1   14   33    9 o  402.434   35.403   4.4091   0.6943   3.6146   1.1164   4.9103   0.8867  370.328   58.635  434.540   39.690 -64.21152 70.80524 
1 1 1   14   33   11 o  481.343   35.647   6.1604   0.8686   5.3729   1.2891   6.8153   1.1755  451.770   55.500  510.917   44.750 -59.14658 71.29375 
1 1 1   14   33   13 o  309.572   43.554   2.1791   0.6399   3.9141   1.2180   1.5177   0.7520  384.138   61.671  235.005   61.519 149.1332 87.10860 
1 1 1   14   33   15 o  352.485   48.917   3.2815   0.8341   4.1644   1.3819   2.7756   1.0461  388.069   71.911  316.900   66.334 71.16925 97.83311 
1 1 1   14   33   17 o  223.147   41.060   1.3904   0.4807   1.6273   0.6472   1.0991   0.7179  243.731   53.149  202.563   62.601 41.16827 82.12030 
1 1 1   14   33   19 o  717.874   32.897   13.575   1.2100   12.212   1.6996   14.975   1.7229  680.553   48.576  755.195   44.375 -74.64142 65.79334 
1 1 1   14   33   21 o  451.240   48.486   5.5366   0.9370   5.4769   1.0792   5.7192   1.8884  455.799   46.052  446.681   85.340 9.118469 96.97288 
1 1 1   14   33   23 o  682.521   38.184   12.268   1.3080   13.236   2.1219   11.675   1.6611  701.539   58.831  663.503   48.694 38.03534 76.36855 
1 1 1   14   33   25 f  559.082   34.010   8.4275   0.9616   9.7493   1.3290   6.9755   1.3929  607.767   42.533  510.397   53.082 97.36993 68.01999 
1 1 1   14   33   27 o  252.730   35.742   1.7766   0.4960   0.3827   0.6845   3.3180   0.7198  150.654   59.606  354.806   39.459 -204.1517 71.48413 
1 1 1   14   33   29 o  295.338   38.233   2.4050   0.5578   1.6400   0.7653   3.2725   0.8149  240.166   61.661  350.510   45.220 -110.3441 76.46528 
1 1 1   14   33   31 o  479.011   36.647   6.4867   0.8524   8.2602   1.1598   4.4040   1.2569  558.190   40.415  399.832   61.144 158.3575 73.29388 
1 1 1   14   33   33 o  165.471   46.322   0.5160   0.5735   0.5597   0.7244   0.4425   0.9388  162.295   62.126  168.646   68.727 -6.351395 92.64450 
1 1 1   14   33   35 o  381.419   38.778   3.8781   0.7321   3.5536   0.9049   4.4928   1.2454  361.783   48.651  401.056   60.400 -39.27350 77.55673 
1 1 1   14   33   37 o  220.573   39.079   1.4091   0.4427   1.5064   0.6047   1.2967   0.6497  229.645   52.378  211.502   58.010 18.14352 78.15792 
1 1 1   14   33   39 o  147.014   33.499   0.5389   0.3158   0.1597   0.4473   0.9156   0.4458  114.725   47.174  179.303   47.576 -64.57816 66.99875 
1 1 1   14   33   41 o  170.977   39.886   0.8179   0.4079   0.9757   0.6019   0.6839   0.5548  182.999   57.446  158.955   55.350 24.04333 79.77290 
1 1 1   14   33   43 o  138.376   35.139   0.4788   0.3211   0.3443   0.4388   0.6340   0.4711  125.671   48.291  151.081   51.057 -25.40974 70.27722 
1 1 1   14   34    0 o  1723.06   75.432   78.336   6.6532   78.336   6.6532   0.0000   0.0000  1723.06   75.432  1723.06   75.432 0.000000 0.000000 
1 1 1   14   34    2 o  318.245   58.353   2.7725   1.0129   1.5631   1.3963   4.1156   1.4715  250.802   87.781  385.687   76.907 -134.8853 116.7055 
1 1 1   14   34    4 o  469.706   49.772   6.2610   1.0157   5.3131   1.9041   6.6380   1.2009  435.305   88.103  504.108   46.334 -68.80264 99.54417 
1 1 1   14   34    6 o  1714.53   33.073   77.355   2.7897   75.028   4.6384   78.673   3.4918  1689.87   53.388  1739.19   39.052 -49.31470 66.14588 
1 1 1   14   34    8 o  365.469   34.975   3.5253   0.6327   3.4081   1.0363   3.5950   0.7989  359.587   56.053  371.351   41.845 -11.76364 69.95017 
1 1 1   14   34   10 o  909.126   35.592   21.725   1.6412   21.566   2.5305   21.840   2.1561  904.642   54.407  913.610   45.903 -8.967346 71.18450 
1 1 1   14   34   12 o  649.098   39.681   11.101   1.3219   10.460   1.8066   11.839   1.9394  629.091   55.858  669.106   56.376 -40.01434 79.36268 
1 1 1   14   34   14 o  586.443   56.079   10.239   1.4877   6.8976   2.3823   12.375   1.9049  488.733   98.217  684.153   54.155 -195.4201 112.1578 
1 1 1   14   34   16 o  754.572   33.973   14.944   1.3129   16.867   1.9108   13.225   1.8071  801.000   46.398  708.144   49.636 92.85596 67.94535 
1 1 1   14   34   18 o  299.845   38.733   2.5458   0.5671   1.2534   0.7950   3.8848   0.8092  214.622   65.803  385.068   40.875 -170.4462 77.46507 
1 1 1   14   34   20 o  852.342   48.295   20.265   1.7834   20.762   2.0549   18.747   3.5902  887.440   45.038  817.244   85.447 70.19543 96.59005 
1 1 1   14   34   22 o  482.701   41.258   6.5017   0.9620   5.4786   1.5832   7.1005   1.2112  447.203   68.861  518.198   45.464 -70.99567 82.51534 
1 1 1   14   34   24 o  371.955   35.165   3.6961   0.6709   3.4227   0.9510   3.9671   0.9465  357.689   51.711  386.221   47.669 -28.53204 70.33068 
1 1 1   14   34   26 o  307.513   36.379   2.5739   0.5619   2.6630   0.7819   2.4788   0.8081  315.839   48.152  299.188   54.544 16.65152 72.75783 
1 1 1   14   34   28 o  345.636   37.022   3.2428   0.6246   2.3463   0.8462   4.3160   0.9258  288.691   59.006  402.581   44.731 -113.8900 74.04456 
1 1 1   14   34   30 o  281.078   38.983   2.2283   0.5467   2.5963   0.7468   1.8032   0.8025  311.297   46.659  250.860   62.463 60.43690 77.96577 
1 1 1   14   34   32 o  231.148   50.247   1.5696   0.6705   1.1372   1.0352   1.8821   0.8800  208.131   75.292  254.164   66.558 -46.03302 100.4930 
1 1 1   14   34   34 o  454.237   40.737   5.5345   0.9295   6.6516   1.5255   4.8750   1.1722  487.523   60.864  420.950   54.163 66.57281 81.47405 
1 1 1   14   34   36 o  247.927   36.570   1.7176   0.4677   0.9363   0.6347   2.6460   0.6919  182.791   59.175  313.062   42.985 -130.2710 73.13921 
1 1 1   14   34   38 o  163.554   37.795   0.7283   0.3705   0.5578   0.5151   0.9110   0.5332  148.570   53.187  178.537   53.713 -29.96687 75.59070 
1 1 1   14   34   40 o  168.924   36.610   0.8087   0.3574   1.0429   0.5041   0.5722   0.5066  189.463   50.739  148.385   52.788 41.07866 73.21942 
1 1 1   14   34   42 o  131.257   33.608   0.4137   0.3054   0.1683   0.4561   0.6132   0.4112  114.715   47.450  147.800   47.609 -33.08546 67.21686 
1 1 1   14   35    1 o  269.343   40.361   1.9707   0.5405   2.1792   0.8000   1.7957   0.7330  282.626   57.024  256.059   57.134 26.56720 80.72166 
1 1 1   14   35    3 o  565.952   48.559   8.3962   1.4129   0.0000   0.0000   8.3962   1.4129  ?   ?   565.952   48.559      ?      ? 
1 1 1   14   35    5 o  963.264   39.933   24.218   1.9661   21.607   2.6203   27.583   2.9742  904.590   56.341  1021.94   56.607 -117.3468 79.86639 
1 1 1   14   35    7 o  573.852   35.947   8.6398   1.0511   8.8033   1.6026   8.5163   1.3924  577.797   53.949  569.907   47.522 7.889587 71.89419 
1 1 1   14   35    9 o  1014.12   39.748   27.163   2.0705   26.026   2.8548   28.424   3.0074  991.904   55.980  1036.34   56.444 -44.43829 79.49679 
1 1 1   14   35   11 o  821.126   36.268   17.903   1.4630   18.225   1.8295   17.333   2.4367  834.610   42.635  807.642   58.683 26.96857 72.53600 
1 1 1   14   35   13 o  675.318   31.624   11.875   1.0936   10.893   1.4697   13.094   1.6369  644.376   44.362  706.260   45.080 -61.88416 63.24746 
1 1 1   14   35   15 o  601.789   34.128   9.5356   1.0525   10.629   1.5215   8.5323   1.4575  635.334   46.581  568.243   49.890 67.09167 68.25529 
1 1 1   14   35   17 o  242.377   37.711   1.5662   0.4835   2.4801   0.7169   0.8038   0.6548  306.788   45.449  177.967   60.190 128.8208 75.42222 
1 1 1   14   35   19 o  1098.38   45.112   31.296   2.2514   29.779   2.6060   35.761   4.4706  1060.42   47.800  1136.34   76.522 -75.91650 90.22462 
1 1 1   14   35   21 o  288.185   43.032   2.3399   0.6070   2.0930   1.0015   2.4833   0.7631  270.712   71.057  305.658   48.557 -34.94556 86.06335 
1 1 1   14   35   23 o  739.470   33.023   14.495   1.2485   12.517   1.7191   16.702   1.8161  685.127   48.805  793.814   44.498 -108.6874 66.04602 
1 1 1   14   35   25 o  522.635   34.936   7.3538   0.9327   8.0311   1.2952   6.6243   1.3442  549.211   45.869  496.059   52.707 53.15253 69.87178 
1 1 1   14   35   27 o  942.542   32.662   23.657   1.5803   22.086   2.1716   25.426   2.3042  909.173   46.458  975.911   45.924 -66.73767 65.32500 
1 1 1   14   35   29 o  756.344   32.918   15.234   1.2739   13.321   1.7331   17.483   1.8787  704.128   47.875  808.559   45.194 -104.4309 65.83670 
1 1 1   14   35   31 o  228.286   45.884   1.6093   0.6147   0.5871   1.0510   2.1410   0.7579  181.184   73.121  275.388   55.450 -94.20427 91.76778 
1 1 1   14   35   33 o  183.874   45.641   0.7370   0.5418   0.3187   0.6827   1.4485   0.8904  144.826   58.762  222.922   69.853 -78.09648 91.28229 
1 1 1   14   35   35 o  809.615   33.237   17.778   1.3799   16.382   1.8757   19.424   2.0371  775.089   47.071  844.141   46.939 -69.05243 66.47486 
1 1 1   14   35   37 f  477.626   34.170   6.2512   0.8278   4.9957   1.1272   7.7213   1.2197  423.471   51.772  531.782   44.610 -108.3107 68.34008 
1 1 1   14   35   39 o  448.275   36.050   5.6247   0.8253   4.8167   1.1341   6.5342   1.2032  412.235   53.510  484.314   48.322 -72.07883 72.09956 
1 1 1   14   35   41 f  347.834   40.345   3.7321   0.6586   5.3431   0.9253   2.0781   0.9376  440.857   40.825  254.811   69.600 186.0462 80.69035 
1 1 1   14   36    0 o  194.721   83.395   1.4197   0.8533   0.0000   0.0000   1.4197   0.8533  194.721   83.395  194.721   83.395 0.000000 0.000000 
1 1 1   14   36    2 o  1065.45   47.255   30.357   2.5761   30.826   3.8456   29.975   3.4698  1070.94   69.844  1059.96   63.671 10.98071 94.50987 
1 1 1   14   36    4 o  747.827   40.645   14.790   1.5488   14.546   2.0515   15.113   2.3620  742.105   53.769  753.550   60.968 -11.44464 81.29032 
1 1 1   14   36    6 o  269.609   42.018   2.0967   0.6085   3.1556   0.8269   0.8459   0.8988  346.741   46.388  192.477   70.073 154.2638 84.03590 
1 1 1   14   36    8 o  398.496   33.517   4.1542   0.6849   3.8025   0.9332   4.5650   1.0084  380.238   47.736  416.755   47.063 -36.51663 67.03443 
1 1 1   14   36   10 o  390.154   31.103   4.0168   0.6192   3.7573   0.9148   4.2362   0.8411  377.881   47.085  402.427   40.653 -24.54611 62.20682 
1 1 1   14   36   12 o  711.663   34.668   13.369   1.2639   13.402   1.8684   13.341   1.7161  711.674   51.064  711.652   46.903 0.2239990E-01 69.33598 
1 1 1   14   36   14 o  712.386   35.120   13.517   1.2774   12.257   1.8546   14.655   1.7619  679.121   53.116  745.652   45.960 -66.53076 70.23959 
1 1 1   14   36   16 o  952.972   34.066   24.048   1.6672   23.924   2.4111   24.162   2.3079  949.921   49.369  956.023   46.954 -6.102844 68.13214 
1 1 1   14   36   18 o  667.319   46.677   11.730   1.4314   11.237   1.6707   13.093   2.7752  649.947   49.999  684.690   78.837 -34.74255 93.35461 
1 1 1   14   36   20 o  487.772   40.157   6.1542   0.9711   7.4042   1.6559   5.4990   1.1988  521.954   61.707  453.590   51.407 68.36417 80.31447 
1 1 1   14   36   22 o  380.045   35.620   3.8778   0.6880   3.1859   0.9608   4.6059   0.9856  343.902   54.343  416.188   46.064 -72.28537 71.23920 
1 1 1   14   36   24 o  284.461   37.540   2.2520   0.5307   2.5753   0.7264   1.8818   0.7772  310.977   45.432  257.945   59.773 53.03165 75.07984 
1 1 1   14   36   26 o  288.934   39.223   2.3158   0.5651   3.1542   0.8237   1.5702   0.7768  343.401   46.655  234.467   63.064 108.9347 78.44555 
1 1 1   14   36   28 o  627.664   33.497   10.554   1.0770   9.3744   1.4846   11.864   1.5647  589.835   48.957  665.493   45.732 -75.65845 66.99417 
1 1 1   14   36   30 o  619.382   46.464   10.719   1.4738   11.812   2.2052   9.8371   1.9812  647.234   66.270  591.530   65.146 55.70453 92.92844 
1 1 1   14   36   32 o  384.455   55.765   4.1772   1.0372   3.2117   1.2865   5.9702   1.7532  324.436   78.074  444.474   79.646 -120.0387 111.5303 
1 1 1   14   36   34 o  327.637   38.791   3.0542   0.6290   3.2888   0.8484   2.7678   0.9373  346.951   47.565  308.323   61.290 38.62766 77.58123 
1 1 1   14   36   36 o  257.548   37.942   1.8780   0.5056   0.9955   0.6832   2.9465   0.7518  186.641   61.451  328.456   44.523 -141.8148 75.88464 
1 1 1   14   36   38 o  193.648   38.681   1.1127   0.4158   1.4119   0.5682   0.7677   0.6102  220.365   51.136  166.931   58.051 53.43488 77.36192 
1 1 1   14   36   40 o  202.613   38.039   1.2168   0.4124   0.8828   0.5730   1.5755   0.5939  173.711   56.225  231.515   51.250 -57.80374 76.07729 
1 1 1   14   37    1 o  306.588   40.463   2.5609   0.6174   3.2360   0.8852   1.9214   0.8616  350.413   49.137  262.763   64.302 87.65076 80.92678 
1 1 1   14   37    3 o  731.077   36.599   14.245   1.3631   12.544   1.9735   15.797   1.8849  687.342   55.847  774.812   47.319 -87.47009 73.19823 
1 1 1   14   37    5 o  336.611   34.645   2.9425   0.5950   2.5631   0.7880   3.4455   0.9074  311.729   49.170  361.494   48.822 -49.76517 69.29067 
1 1 1   14   37    7 o  464.967   34.258   5.4653   0.7919   6.6424   1.3426   4.8375   0.9806  500.818   52.144  429.116   44.445 71.70197 68.51569 
1 1 1   14   37    9 o  1048.92   32.797   28.637   1.7147   30.411   2.8256   27.603   2.1574  1071.48   51.293  1026.35   40.885 45.12952 65.59427 
1 1 1   14   37   11 o  726.252   32.925   13.631   1.1982   15.176   1.9645   12.715   1.5120  756.727   50.494  695.777   42.268 60.95044 65.85015 
1 1 1   14   37   13 o  353.177   40.298   3.4975   0.6886   2.6755   1.0250   4.1737   0.9296  308.665   66.546  397.689   45.467 -89.02454 80.59583 
1 1 1   14   37   15 o  673.132   35.664   12.138   1.2246   10.832   1.7717   13.333   1.6945  636.494   54.141  709.771   46.437 -73.27722 71.32788 
1 1 1   14   37   17 o  1086.41   47.147   31.704   2.3469   30.964   2.7474   33.702   4.5143  1078.27   49.559  1094.55   80.220 -16.28223 94.29399 
1 1 1   14   37   19 o  1006.24   39.605   26.535   1.9740   30.229   3.3453   24.562   2.4451  1053.31   61.773  959.166   49.582 94.14886 79.21074 
1 1 1   14   37   21 o  422.307   35.706   4.8255   0.7639   5.6943   1.0753   3.9403   1.0855  462.784   45.193  381.832   55.293 80.95200 71.41279 
1 1 1   14   37   23 o  772.859   33.612   15.946   1.3305   14.150   1.8419   17.905   1.9241  726.293   49.327  819.425   45.671 -93.13196 67.22353 
1 1 1   14   37   25 o  311.539   38.688   2.7641   0.5868   3.4930   0.8089   1.9547   0.8525  362.166   43.445  260.911   64.029 101.2552 77.37653 
1 1 1   14   37   27 o  136.624   39.263   0.1426   0.3745   0.6248   0.7838   0.0000   0.4263  169.566   64.689  103.681   44.517 65.88508 78.52640 
1 1 1   14   37   29 o  788.130   48.067   17.898   1.9059   15.549   2.8576   19.780   2.5579  731.513   75.981  844.747   58.896 -113.2344 96.13490 
1 1 1   14   37   31 o  269.133   57.493   2.1413   0.8219   1.9398   0.9987   2.5640   1.4469  254.000   72.755  284.266   89.043 -30.26524 114.9866 
1 1 1   14   37   33 o  187.587   38.541   1.0110   0.3943   0.9232   0.5887   1.0824   0.5311  180.762   56.825  194.411   52.082 -13.64902 77.08208 
1 1 1   14   37   35 o  244.629   41.415   1.7701   0.5146   1.8919   0.7128   1.6375   0.7437  254.766   55.947  234.492   61.080 20.27472 82.83062 
1 1 1   14   37   37 o  238.926   38.813   1.7301   0.4899   2.2905   0.6623   1.0534   0.7279  288.206   44.699  189.646   63.464 98.56052 77.62508 
1 1 1   14   37   39 o  154.892   36.493   0.6602   0.3446   0.4963   0.4734   0.8451   0.5027  139.659   50.855  170.124   52.352 -30.46559 72.98612 
1 1 1   14   38    0 o  124.510   74.641   0.4432   0.8556   0.0000   0.0000   0.4432   0.8556  124.510   74.641  124.510   74.641 -0.000000 0.000000 
1 1 1   14   38    2 o  186.232   47.148   0.7827   0.4943   0.8688   1.0870   0.7602   0.5549  201.577   76.354  170.887   55.333 30.68968 94.29621 
1 1 1   14   38    4 o  121.810   37.625   0.0000   0.3442   0.0000   0.8392   0.0000   0.3775  145.049   62.375   98.570   42.094 46.47905 75.24996 
1 1 1   14   38    6 o  449.915   52.318   5.9448   1.0302   4.8939   1.9029   6.3805   1.2253  408.623   92.708  491.206   48.519 -82.58292 104.6366 
1 1 1   14   38    8 o  291.413   48.262   2.6615   0.6485   1.5895   1.3594   2.9773   0.7378  246.339   86.591  336.486   42.649 -90.14719 96.52458 
1 1 1   14   38   10 o  490.405   36.859   6.6994   0.8681   5.4201   1.4275   7.4500   1.0935  448.016   61.975  532.795   39.918 -84.77893 73.71815 
1 1 1   14   38   12 o  451.014   34.344   5.2079   0.7795   6.3775   1.2721   4.5046   0.9864  489.533   50.543  412.496   46.512 77.03644 68.68748 
1 1 1   14   38   14 o  178.831   36.207   0.8798   0.3754   1.2494   0.5036   0.4179   0.5630  213.087   47.212  144.574   54.907 68.51308 72.41364 
1 1 1   14   38   16 o  280.684   49.109   1.8176   0.6686   1.1590   0.7815   3.6169   1.2917  206.022   65.553  355.346   73.140 -149.3237 98.21718 
1 1 1   14   38   18 o  674.633   41.994   12.495   1.3642   11.992   2.3504   12.751   1.6752  657.433   69.539  691.834   47.097 -34.40094 83.98703 
1 1 1   14   38   20 o  396.698   36.715   4.2910   0.7364   3.5373   1.0629   4.9871   1.0214  360.797   57.299  432.600   45.922 -71.80328 73.43005 
1 1 1   14   38   22 o  687.829   34.474   12.719   1.2147   13.913   1.7180   11.525   1.7178  721.585   46.310  654.073   51.082 67.51111 68.94878 
1 1 1   14   38   24 o  442.233   40.645   5.5647   0.8187   3.0180   1.1287   8.3921   1.1893  322.342   70.105  562.125   41.152 -239.7821 81.29073 
1 1 1   14   38   26 o  435.818   43.170   4.9785   0.9163   6.2087   1.6353   4.4155   1.1063  469.177   67.793  402.460   53.467 66.71735 86.34009 
1 1 1   14   38   28 o  439.544   40.326   5.3081   0.8906   5.1852   1.1407   5.4999   1.4252  436.222   50.862  442.866   62.593 -6.644073 80.65211 
1 1 1   14   38   30 o  255.082   55.120   2.0301   0.7964   2.2837   0.9970   1.5832   1.3237  276.040   70.115  234.123   85.070 41.91722 110.2407 
1 1 1   14   38   32 o  597.263   35.779   9.8370   1.0970   9.6685   1.5062   10.027   1.6011  592.767   49.421  601.758   51.751 -8.990417 71.55869 
1 1 1   14   38   34 o  202.741   33.728   1.0710   0.3938   0.3398   0.5237   2.0225   0.5974  132.912   52.279  272.570   42.628 -139.6577 67.45555 
1 1 1   14   38   36 o  487.161   35.861   6.6817   0.8974   6.7466   1.2490   6.6124   1.2903  490.592   49.519  483.730   51.883 6.862213 71.72189 
1 1 1   14   38   38 o  122.114   33.402   0.2884   0.3003   0.1520   0.4010   0.4624   0.4531  108.386   44.628  135.842   49.710 -27.45586 66.80357 
1 1 1   14   39    1 o  609.856   61.904   10.679   1.8626   12.595   2.6253   8.7365   2.6430  675.316   75.614  544.396   98.035 130.9199 123.8078 
1 1 1   14   39    3 o  440.433   47.480   4.8747   1.0182   4.0949   1.2234   6.6319   1.8365  389.700   61.062  491.165   72.725 -101.4656 94.96090 
1 1 1   14   39    5 o  289.460   51.706   2.3673   0.7344   2.3449   0.8903   2.4149   1.2991  289.813   61.647  289.107   83.028 0.7060852 103.4118 
1 1 1   14   39    7 o  196.624   45.404   1.0088   0.4892   1.0193   0.5697   0.9794   0.9547  192.578   54.880  200.669   72.348 -8.090881 90.80798 
1 1 1   14   39    9 o  1130.77   33.590   33.906   1.8855   33.980   3.0939   33.863   2.3781  1127.11   53.390  1134.42   40.774 -7.309082 67.17919 
1 1 1   14   39   11 o  555.260   34.039   8.0503   0.9443   8.8195   1.5557   7.6015   1.1883  574.052   52.710  536.469   43.083 37.58240 68.07751 
1 1 1   14   39   13 o  611.180   36.484   10.104   1.1328   8.8937   1.6601   11.158   1.5497  574.298   56.224  648.063   46.512 -73.76453 72.96899 
1 1 1   14   39   15 o  223.824   48.003   1.1645   0.5592   0.8104   0.6547   2.1194   1.0751  177.181   60.186  270.467   74.799 -93.28600 96.00674 
1 1 1   14   39   17 o  1097.90   41.775   33.180   2.2291   31.648   3.7653   34.006   2.7658  1067.38   68.613  1128.42   47.674 -61.03821 83.54952 
1 1 1   14   39   19 o  458.252   40.663   5.2730   0.9197   7.6773   1.5844   4.0514   1.1294  530.612   58.080  385.892   56.926 144.7203 81.32610 
1 1 1   14   39   21 o  526.955   43.837   8.0531   1.1025   6.2557   1.7932   9.1454   1.3979  469.326   74.318  584.583   46.512 -115.2566 87.67308 
1 1 1   14   39   23 o  212.900   43.338   1.2852   0.4960   1.2928   0.7667   1.2798   0.6504  213.410   64.455  212.389   57.949 1.020721 86.67538 
1 1 1   14   39   25 o  391.331   62.949   4.2774   1.2665   0.0000   0.0000   4.2774   1.2665  ?   ?   391.331   62.949      ?      ? 
1 1 1   14   39   27 o  316.404   47.186   2.9873   0.7135   2.6033   1.2397   3.1776   0.8726  291.169   80.239  341.638   49.678 -50.46906 94.37236 
1 1 1   14   39   29 o  479.666   54.471   6.5194   1.2997   5.6079   1.6095   8.2280   2.2036  438.383   71.410  520.949   82.275 -82.56628 108.9426 
1 1 1   14   39   31 o  305.312   46.065   2.6908   0.6938   3.3498   1.0929   2.2458   0.8980  336.212   65.582  274.413   64.706 61.79846 92.12933 
1 1 1   14   39   33 o  171.838   42.155   0.8111   0.4578   0.6822   0.6718   0.9228   0.6256  163.844   60.440  179.832   58.782 -15.98830 84.31049 
1 1 1   14   39   35 o  391.964   44.327   4.3069   0.8453   6.2435   1.3779   3.1383   1.0703  464.661   57.676  319.267   67.326 145.3940 88.65310 
1 1 1   14   39   37 o  283.947   44.563   2.7776   0.6969   1.0601   1.0958   3.9441   0.9031  193.536   75.776  374.357   46.922 -180.8211 89.12692 
1 1 1   14   40    0 o  749.208   54.290   15.400   2.0135   15.073   2.6474   15.848   3.1011  743.253   70.753  755.163   82.362 -0.000000 0.000000 
1 1 1   14   40    2 o  711.112   37.011   13.585   1.3450   12.292   1.9382   14.786   1.8680  676.493   55.727  745.732   48.722 -69.23920 74.02293 
1 1 1   14   40    4 o  663.949   36.974   11.834   1.2545   11.224   1.8468   12.356   1.7093  646.341   55.576  681.557   48.782 -35.21552 73.94795 
1 1 1   14   40    6 o  647.103   47.190   11.453   1.3107   11.439   1.4943   11.499   2.7294  657.565   44.201  636.640   83.389 20.92462 94.37945 
1 1 1   14   40    8 f  731.238   36.631   14.121   1.3405   13.510   1.6957   15.139   2.1887  713.377   46.235  749.099   56.831 -35.72174 73.26270 
1 1 1   14   40   10 o  296.821   42.499   2.4844   0.6075   2.6018   0.7550   2.2689   1.0231  312.728   46.959  280.914   70.849 31.81427 84.99790 
1 1 1   14   40   12 o  472.509   38.595   5.8436   0.9010   5.4128   1.1122   6.6659   1.5366  450.414   48.029  494.605   60.427 -44.19025 77.18962 
1 1 1   14   40   14 o  444.567   48.482   4.8949   1.0079   4.1497   1.1696   7.0460   1.9870  390.602   58.240  498.531   77.525 -107.9290 96.96378 
1 1 1   14   40   16 o  536.215   45.374   7.2241   1.0369   6.7005   1.1599   9.3065   2.3132  501.566   44.982  570.864   78.815 -69.29803 90.74775 
1 1 1   14   40   18 o  271.604   54.887   2.2659   0.7795   2.4875   0.9099   1.6544   1.5114  296.013   61.786  247.195   90.735 48.81799 109.7740 
1 1 1   14   40   20 o  322.773   53.406   2.9632   0.7898   2.8436   0.9178   3.3045   1.5502  318.033   58.281  327.514   89.510 -9.481232 106.8114 
1 1 1   14   40   22 o  362.488   64.174   4.0786   1.1931   3.7666   1.6411   4.4285   1.7377  347.430   90.846  377.545   90.665 -30.11566 128.3475 
1 1 1   14   40   24 o  228.230   65.989   1.5135   0.8181   0.0000   0.0000   1.5135   0.8181  ?   ?   228.230   65.989      ?      ? 
1 1 1   14   40   26 o  141.762   38.380   0.3581   0.3840   0.6611   0.6337   0.1823   0.4827  163.131   58.922  120.392   49.197 42.73845 76.76019 
1 1 1   14   40   28 o  208.647   50.666   1.2514   0.6930   1.6657   0.8770   0.5628   1.1308  236.077   68.342  181.217   74.816 54.85988 101.3314 
1 1 1   14   40   30 o  593.476   41.837   10.054   1.2425   9.8069   1.9723   10.216   1.5999  580.322   66.107  606.630   51.297 -26.30786 83.67477 
1 1 1   14   40   32 f  559.105   45.938   9.5818   1.2236   7.5601   1.9811   10.829   1.5558  493.605   78.064  624.605   48.448 -130.9999 91.87556 
1 1 1   14   40   34 f  198.555   45.818   1.1953   0.5391   1.0490   0.8355   1.2997   0.7056  190.065   67.773  207.045   61.676 -16.98015 91.63535 
1 1 1   14   40   36 o  449.290   50.344   6.6692   1.0412   4.9777   1.6631   7.7595   1.3352  376.801   87.524  521.778   49.773 -144.9774 100.6871 
1 1 1   14   41    1 o  589.196   37.362   9.3212   1.1312   9.0636   1.6085   9.5731   1.5910  580.644   53.883  597.748   51.772 -17.10394 74.72396 
1 1 1   14   41    3 o  158.350   39.767   0.5953   0.4083   0.7159   0.5871   0.4824   0.5683  167.531   56.991  149.169   55.477 18.36151 79.53366 
1 1 1   14   41    5 o  357.139   38.979   3.4236   0.7138   3.7796   1.0470   3.1144   0.9757  374.639   54.359  339.639   55.878 35.00049 77.95704 
1 1 1   14   41    7 o  385.462   34.472   3.9279   0.6769   3.2558   0.9128   4.7490   1.0089  348.531   50.941  422.393   46.458 -73.86224 68.94437 
1 1 1   14   41    9 o  653.109   31.504   11.408   1.0494   10.487   1.5412   12.204   1.4328  626.755   47.830  679.462   41.016 -52.70715 63.00787 
1 1 1   14   41   11 o  413.559   44.770   5.0053   0.8456   5.5328   1.0475   4.0187   1.4327  456.096   44.671  371.022   77.601 85.07407 89.53983 
1 1 1   14   41   13 f  175.378   42.417   0.7074   0.4685   0.3810   0.6080   1.1846   0.7351  144.627   56.493  206.130   63.289 -61.50304 84.83453 
1 1 1   14   41   15 o  726.375   33.582   13.905   1.2319   10.687   1.6432   18.034   1.8615  629.863   50.743  822.887   44.001 -193.0240 67.16328 
1 1 1   14   41   17 o  728.946   55.397   15.768   1.7365   16.319   2.0092   14.139   3.4522  777.912   50.237  679.979   98.750 97.93365 110.7937 
1 1 1   14   41   19 o  348.080   56.082   4.0898   0.9500   4.7822   1.1169   2.2792   1.8061  419.933   51.735  276.227   99.521 143.7061 112.1644 
1 1 1   14   41   21 o  479.603   91.688   7.1230   2.1784   7.1230   2.1784   0.0000   0.0000  479.603   91.688  ?   ?       ?      ? 
1 1 1   14   41   23 o  227.922   59.394   1.4985   0.7030   1.4985   0.7030   0.0000   0.0000  227.922   59.394  ?   ?       ?      ? 
1 1 1   14   41   25 o  442.197   57.219   5.9906   1.0646   6.0591   1.2208   5.7728   2.1758  470.262   50.492  414.132  102.697 56.13016 114.4380 
1 1 1   14   41   27 o  237.400   47.339   1.2608   0.5684   0.7243   0.6556   2.8856   1.1409  167.454   59.997  307.346   73.242 -139.8921 94.67887 
1 1 1   14   41   29 o  490.095   66.803   8.7131   1.5686   10.951   2.0124   5.2480   2.5041  614.752   63.670  365.438  117.459 249.3149 133.6055 
1 1 1   14   41   31 o  249.631   51.397   2.1279   0.6875   2.3739   0.7714   1.1788   1.5152  285.889   54.473  213.374   87.173 72.51437 102.7934 
1 1 1   14   41   33 o  265.539   52.006   2.2064   0.6479   2.1682   0.7267   2.3543   1.4301  271.764   53.918  259.315   88.946 12.44836 104.0120 
1 1 1   14   41   35 o  166.897   46.144   0.5543   0.4539   0.4253   0.4979   1.1889   1.1042  135.013   51.546  198.780   76.551 -63.76743 92.28790 
1 1 1   14   42    0 o  175.957   65.039   1.1762   0.7182   1.0552   0.8535   1.4700   1.3296  162.433   82.186  189.481  100.827 -0.000000 0.000000 
1 1 1   14   42    2 o  207.473   44.986   1.2670   0.5919   0.0000   1.1013   1.7817   0.7019  162.741   70.715  252.204   55.628 -89.46300 89.97219 
1 1 1   14   42    4 o  329.452   40.880   2.9633   0.6762   3.2835   1.0150   2.7079   0.9067  347.850   56.757  311.053   58.850 36.79721 81.75997 
1 1 1   14   42    6 o  408.821   38.767   4.4990   0.8126   4.9473   1.1976   4.1165   1.1063  427.733   54.460  389.909   55.188 37.82440 77.53485 
1 1 1   14   42    8 o  490.654   34.806   6.4366   0.8767   6.0526   1.2020   6.8730   1.2814  475.073   49.212  506.235   49.235 -31.16254 69.61294 
1 1 1   14   42   10 o  495.754   41.777   6.6909   1.0624   6.1713   1.4497   7.2938   1.5615  474.909   59.372  516.600   58.791 -41.69141 83.55495 
1 1 1   14   42   12 o  276.850   39.610   2.2112   0.5347   1.7718   0.8611   2.4870   0.6822  248.029   66.269  305.672   43.409 -57.64285 79.22055 
1 1 1   14   42   14 o  311.060   38.491   2.8555   0.5707   1.5123   0.8267   4.0786   0.7889  229.602   66.318  392.519   39.092 -162.9168 76.98243 
1 1 1   14   42   16 o  268.565   38.124   1.9741   0.5162   1.5683   0.6963   2.4689   0.7690  234.680   58.037  302.451   49.452 -67.77086 76.24862 
1 1 1   14   42   18 o  666.327   49.668   12.661   1.4915   12.471   2.8629   12.732   1.7474  646.803   86.092  685.851   49.555 -39.04742 99.33602 
1 1 1   14   42   20 o  675.372   52.520   13.148   1.7453   13.414   2.9118   12.998   2.1804  669.370   84.612  681.374   62.241 -12.00403 105.0391 
1 1 1   14   42   22 o  636.351   35.806   11.053   1.1704   11.664   1.6938   10.495   1.6192  653.304   50.427  619.396   50.845 33.90790 71.61104 
1 1 1   14   42   24 o  163.565   37.524   0.7163   0.3713   0.4739   0.5263   0.9567   0.5241  143.599   53.390  183.530   52.741 -39.93080 75.04735 
1 1 1   14   42   26 o  198.302   48.519   1.1511   0.6486   1.5527   0.7533   0.0000   1.2753  228.867   62.331  167.737   74.371 61.12991 97.03725 
1 1 1   14   42   28 o  536.056   41.745   7.9344   1.1248   9.6825   1.8433   6.8974   1.4197  578.650   61.961  493.462   55.960 85.18723 83.49053 
1 1 1   14   42   30 o  373.009   38.097   3.9534   0.7298   3.9927   1.0137   3.9112   1.0517  375.853   52.458  370.165   55.261 5.688049 76.19448 
1 1 1   14   42   32 f  444.747   37.641   5.6046   0.8554   4.8982   1.1453   6.4956   1.2863  412.778   53.970  476.717   52.484 -63.93903 75.28139 
1 1 1   14   42   34 o  270.886   45.058   2.2873   0.6136   2.1422   0.8178   2.4740   0.9280  262.418   61.664  279.355   65.715 -16.93735 90.11577 
1 1 1   14   43    1 o  286.362   41.903   2.3041   0.6094   3.1065   0.8755   1.5500   0.8488  339.918   50.099  232.805   67.183 107.1139 83.80646 
1 1 1   14   43    3 o  196.289   41.717   0.9738   0.4808   1.6362   0.7340   0.4760   0.6363  240.045   59.719  152.533   58.264 87.51196 83.43305 
1 1 1   14   43    5 o  187.731   40.956   0.9500   0.4321   1.1362   0.6638   0.8131   0.5691  201.506   59.775  173.956   56.003 27.54936 81.91113 
1 1 1   14   43    7 o  216.085   46.554   1.1902   0.5034   1.0482   0.5784   1.6339   1.0227  193.699   55.326  238.471   74.888 -44.77191 93.10851 
1 1 1   14   43    9 o  224.729   47.468   1.4371   0.5838   1.4329   0.7559   1.4432   0.9192  224.120   62.986  225.339   71.032 -1.218658 94.93538 
1 1 1   14   43   11 o  564.327   31.839   8.4956   0.9087   10.640   1.3296   6.6162   1.2448  632.935   40.858  495.719   48.842 137.2162 63.67849 
1 1 1   14   43   13 o  508.076   32.249   6.9828   0.8338   6.1542   1.2131   7.7245   1.1478  477.425   49.422  538.726   41.441 -61.30112 64.49756 
1 1 1   14   43   15 o  504.937   52.588   7.2068   1.1654   7.7788   2.2746   7.0032   1.3570  502.511   91.408  507.363   52.024 -4.852203 105.1756 
1 1 1   14   43   17 o  613.856   54.668   11.131   1.6249   10.471   2.7268   11.495   2.0235  585.927   90.519  641.786   61.325 -55.85840 109.3366 
1 1 1   14   43   19 o  453.832   37.559   5.6173   0.8698   6.6381   1.2831   4.7495   1.1831  493.055   50.618  414.609   55.502 78.44580 75.11713 
1 1 1   14   43   21 o  175.322   39.961   0.8246   0.4155   1.0971   0.6155   0.5966   0.5631  195.770   57.419  154.874   55.594 40.89551 79.92255 
1 1 1   14   43   23 o  346.745   38.181   3.3402   0.6799   3.5587   0.9817   3.1387   0.9426  357.945   53.345  335.544   54.640 22.40088 76.36267 
1 1 1   14   43   25 o  198.324   45.150   1.2278   0.5706   1.6026   0.6519   0.0000   1.1798  234.845   54.963  161.803   71.647 73.04135 90.30089 
1 1 1   14   43   27 o  135.298   36.763   0.3863   0.3704   0.0000   0.6431   0.5780   0.4530  123.513   53.850  147.082   50.063 -23.56918 73.52601 
1 1 1   14   43   29 o  498.625   38.247   7.1746   0.9496   9.0933   1.3487   5.2879   1.3374  572.631   45.810  424.619   61.261 148.0121 76.49439 
1 1 1   14   43   31 o  463.663   39.138   6.2674   0.9212   7.2810   1.3028   5.2535   1.3029  506.192   50.060  421.134   60.175 85.05792 78.27555 
1 1 1   14   44    0 o  305.999   70.496   3.2867   0.9796   3.4188   1.2654   3.0892   1.5476  326.693   87.189  285.306  110.802 -0.000000 0.000000 
1 1 1   14   44    2 o  225.118   51.332   1.3917   0.6454   1.3025   0.7849   1.5777   1.1339  214.476   65.312  235.760   79.211 -21.28354 102.6650 
1 1 1   14   44    4 o  191.977   44.852   1.0299   0.5639   1.4467   0.6683   0.0000   1.0505  225.752   57.440  158.203   68.902 67.54845 89.70412 
1 1 1   14   44    6 o  290.638   48.965   2.8650   0.8156   3.9161   0.9837   0.5533   1.4589  380.756   50.253  200.520   84.052 180.2366 97.92922 
1 1 1   14   44    8 o  424.328   38.883   4.9029   0.8456   5.0805   1.2544   4.7549   1.1449  430.588   56.662  418.068   53.264 12.51971 77.76624 
1 1 1   14   44   10 o  225.582   41.288   1.3477   0.4620   1.8451   0.8103   1.1080   0.5624  252.946   62.637  198.218   53.809 54.72807 82.57571 
1 1 1   14   44   12 o  492.849   57.577   7.2233   1.3279   7.1307   2.2881   7.2703   1.6307  475.046   96.968  510.651   62.111 -35.60440 115.1547 
1 1 1   14   44   14 o  251.788   52.594   1.6416   0.6896   2.7136   1.2683   1.1917   0.8216  297.829   80.785  205.747   67.369 92.08258 105.1889 
1 1 1   14   44   16 f  614.144   39.373   10.535   1.1865   10.854   1.4914   9.9847   1.9584  633.909   45.762  594.380   64.085 39.52930 78.74675 
1 1 1   14   44   18 o  323.859   37.973   2.8975   0.6152   2.5123   0.8263   3.3766   0.9216  296.897   56.189  350.821   51.095 -53.92426 75.94650 
1 1 1   14   44   20 o  180.888   40.631   0.8997   0.4223   1.0891   0.6485   0.7603   0.5564  194.732   59.383  167.044   55.473 27.68843 81.26292 
1 1 1   14   44   22 o  192.666   41.865   1.0550   0.4541   1.2484   0.6832   0.9019   0.6078  206.430   60.481  178.902   57.904 27.52795 83.73075 
1 1 1   14   44   24 o  164.845   44.028   0.6808   0.5020   0.8802   0.5708   0.0000   1.0546  175.925   56.029  153.765   67.930 22.16089 88.05525 
1 1 1   14   44   26 o  327.688   48.781   3.2799   0.7771   3.2281   1.3066   3.3082   0.9666  314.528   80.470  340.848   55.162 -26.32013 97.56149 
1 1 1   14   44   28 o  283.688   44.758   2.4302   0.6284   2.6470   0.9829   2.2803   0.8173  291.942   66.917  275.434   59.459 16.50854 89.51678 
1 1 1   14   44   30 o  184.393   41.433   0.9479   0.4478   1.4421   0.7059   0.6151   0.5793  215.962   60.931  152.824   56.162 63.13719 82.86614 
1 1 1   14   45    1 o  682.031   61.642   13.870   2.1441   11.894   2.9815   15.987   3.0857  625.531   92.709  738.530   81.266 -112.9990 123.2847 
1 1 1   14   45    3 o  212.218   81.298   1.0899   1.2411   0.0000   0.0000   1.0899   1.2411  ?   ?   212.218   81.298      ?      ? 
1 1 1   14   45    5 o  152.400   57.471   0.5077   0.6141   0.0000   0.0000   0.5077   0.6141  ?   ?   152.400   57.471      ?      ? 
1 1 1   14   45    7 o  239.240   48.300   1.7596   0.7487   0.0000   1.2678   2.7021   0.9278  170.945   75.038  307.534   60.836 -136.5888 96.60040 
1 1 1   14   45    9 o  439.648   95.094   6.1246   2.0869   6.1246   2.0869   0.0000   0.0000  439.648   95.094  ?   ?       ?      ? 
1 1 1   14   45   11 o  234.291   54.536   1.6056   0.7134   1.3700   1.4413   1.6820   0.8210  228.712   87.612  239.870   64.966 -11.15828 109.0712 
1 1 1   14   45   13 o  534.158   34.756   7.7806   0.9508   7.9045   1.2968   7.6365   1.3982  540.226   46.692  528.089   51.497 12.13690 69.51265 
1 1 1   14   45   15 o  297.384   36.107   2.4701   0.5364   2.2433   0.7736   2.6800   0.7443  280.396   55.625  314.373   46.051 -33.97745 72.21383 
1 1 1   14   45   17 o  140.145   36.674   0.4531   0.3509   0.4974   0.4911   0.4068   0.5016  143.287   51.856  137.003   51.874 6.283875 73.34831 
1 1 1   14   45   19 o  230.466   49.844   1.4469   0.5588   1.3229   0.6285   1.9149   1.2207  213.234   56.447  247.697   82.167 -34.46312 99.68790 
1 1 1   14   45   21 f  505.237   39.442   7.3219   0.9974   5.6947   1.4353   8.8412   1.3869  443.866   62.895  566.607   47.610 -122.7410 78.88315 
1 1 1   14   45   23 o  324.890   55.718   4.0781   1.0098   5.0052   1.1657   1.2904   2.0213  420.958   53.861  228.822   97.556 192.1358 111.4368 
1 1 1   14   45   25 o  486.279   43.976   6.9426   1.0559   6.9597   1.7375   6.9326   1.3297  477.774   70.735  494.785   52.270 -17.01056 87.95255 
1 1 1   14   45   27 o  332.123   40.550   3.2457   0.6770   3.0338   0.9476   3.4667   0.9676  317.362   60.279  346.885   54.256 -29.52286 81.09995 
1 1 1   14   45   29 o  205.814   43.577   1.3142   0.4973   1.4251   0.7214   1.2138   0.6866  213.498   62.033  198.131   61.220 15.36772 87.15469 
1 1 1   14   46    0 o  839.354   73.230   19.610   3.1048   19.610   3.1048   0.0000   0.0000  839.354   73.230  839.354   73.230 -0.000000 0.000000 
1 1 1   14   46    2 o  201.710   66.975   1.1369   0.8110   0.0000   0.0000   1.1369   0.8110  ?   ?   201.710   66.975      ?      ? 
1 1 1   14   46    4 o  643.368   67.572   11.786   2.2351   0.0000   0.0000   11.786   2.2351  ?   ?   643.368   67.572      ?      ? 
1 1 1   14   46    6 o  465.228   54.490   6.1857   1.2461   8.4130   1.9552   4.6620   1.6171  540.886   70.309  389.569   83.266 151.3168 108.9797 
1 1 1   14   46    8 o  294.961   39.871   2.4568   0.5882   2.5434   0.7930   2.3509   0.8769  305.092   50.555  284.830   61.669 20.26230 79.74206 
1 1 1   14   46   10 o  810.199   32.200   17.897   1.3296   15.989   1.9312   19.616   1.8333  765.564   49.064  854.834   41.713 -89.27020 64.39944 
1 1 1   14   46   12 o  763.451   32.430   15.824   1.2690   15.732   1.8639   15.903   1.7326  759.727   47.720  767.175   43.928 -7.447510 64.86048 
1 1 1   14   46   14 o  220.250   35.748   1.3360   0.4238   2.0810   0.6260   0.7058   0.5758  277.194   43.926  163.305   56.412 113.8884 71.49682 
1 1 1   14   46   16 o  539.549   32.887   7.9864   0.9083   7.4603   1.3143   8.4673   1.2566  520.638   49.099  558.460   43.767 -37.82220 65.77424 
1 1 1   14   46   18 o  543.060   36.210   8.3287   0.9908   9.3511   1.3417   7.1025   1.4694  585.277   44.588  500.844   57.065 84.43362 72.41910 
1 1 1   14   46   20 o  626.341   38.855   11.154   1.2429   10.194   1.7994   12.030   1.7188  596.404   58.685  656.279   50.941 -59.87427 77.71065 
1 1 1   14   46   22 o  392.999   63.751   5.6097   1.2786   6.5009   1.5928   3.9949   2.1439  467.257   66.303  318.741  108.908 148.5161 127.5029 
1 1 1   14   46   24 o  154.925   39.186   0.5612   0.4000   0.9735   0.6355   0.2907   0.5148  182.020   59.234  127.830   51.320 54.18936 78.37286 
1 1 1   14   46   26 o  260.673   45.144   2.1034   0.6004   2.4055   0.8874   1.8485   0.8152  278.547   63.393  242.800   64.291 35.74707 90.28847 
1 1 1   14   47    1 o  578.308   39.441   9.2859   1.1718   8.8879   1.6537   9.6873   1.6608  564.963   56.933  591.652   54.597 -26.68939 78.88131 
1 1 1   14   47    3 o  631.096   40.222   11.223   1.2831   9.2678   1.8468   13.047   1.7840  571.975   62.801  690.218   50.273 -118.2432 80.44495 
1 1 1   14   47    5 o  260.748   45.453   1.9975   0.6099   2.3856   0.8811   1.6405   0.8451  286.210   61.693  235.286   66.768 50.92479 90.90625 
1 1 1   14   47    7 o  463.738   39.368   5.9688   0.9360   6.2399   1.3862   5.7415   1.2690  472.489   57.064  454.987   54.250 17.50168 78.73595 
1 1 1   14   47    9 o  185.317   42.244   0.9952   0.4757   1.2460   0.5869   0.5154   0.8119  208.037   54.297  162.598   64.730 45.43922 84.48781 
1 1 1   14   47   11 o  330.124   39.791   3.1567   0.6433   3.7441   0.8825   2.4909   0.9396  370.427   46.339  289.820   64.700 80.60675 79.58254 
1 1 1   14   47   13 o  298.916   37.212   2.5125   0.5587   2.5693   0.8213   2.4636   0.7623  299.063   55.460  298.769   49.630 0.2938232 74.42407 
1 1 1   14   47   15 o  391.546   34.142   4.2134   0.6858   4.6019   1.0034   3.8728   0.9395  408.712   47.752  374.380   48.809 34.33267 68.28313 
1 1 1   14   47   17 o  372.149   39.403   4.0526   0.7041   2.8739   1.0052   5.1878   0.9865  308.921   65.330  435.378   44.073 -126.4567 78.80690 
1 1 1   14   47   19 o  264.621   41.669   2.0629   0.5507   1.8498   0.7394   2.3285   0.8253  249.187   58.685  280.056   59.172 -30.86946 83.33818 
1 1 1   14   47   21 o  298.454   59.133   2.5986   0.9399   1.5752   1.1401   4.7694   1.6604  222.831   79.197  374.077   87.833 -151.2453 118.2662 
1 1 1   14   47   23 o  378.875   43.542   4.3851   0.7944   3.0493   1.1258   5.7103   1.1213  307.931   72.338  449.818   48.484 -141.8875 87.08328 
1 1 1   14   47   25 o  308.020   42.710   2.8642   0.6598   3.7757   0.9722   2.0860   0.8983  361.296   52.339  254.743   67.507 106.5527 85.41975 
1 1 1   14   48    0 o  106.835   47.576   0.2268   0.5325   0.0000   0.9578   0.3283   0.6406  107.680   70.359  105.989   64.059 0.000000 0.000000 
1 1 1   14   48    2 o  647.657   39.751   11.756   1.3166   13.242   1.8845   10.339   1.8403  690.557   53.081  604.757   59.188 85.79932 79.50291 
1 1 1   14   48    4 o  415.766   41.226   4.8751   0.8787   4.9217   1.2933   4.8351   1.1976  416.231   60.434  415.301   56.088 0.9298096 82.45119 
1 1 1   14   48    6 o  219.672   45.032   1.4337   0.5450   1.1743   0.7864   1.6733   0.7558  201.396   65.910  237.949   61.381 -36.55313 90.06470 
1 1 1   14   48    8 o  808.602   39.132   18.476   1.6124   16.795   2.3562   19.956   2.2113  768.256   59.652  848.948   50.664 -80.69250 78.26384 
1 1 1   14   48   10 o  556.868   35.433   8.5346   1.0082   7.3392   1.3721   9.9372   1.4863  513.218   52.003  600.519   48.142 -87.30060 70.86555 
1 1 1   14   48   12 o  325.624   36.744   3.0173   0.5942   2.6683   0.8621   3.3332   0.8202  302.755   57.487  348.492   45.780 -45.73709 73.48841 
1 1 1   14   48   14 o  175.491   37.681   0.8823   0.3820   0.6023   0.5547   1.1349   0.5269  153.160   55.155  197.823   51.354 -44.66380 75.36105 
1 1 1   14   48   16 o  769.513   33.121   16.468   1.3050   15.287   1.8771   17.573   1.8156  739.621   49.363  799.404   44.175 -59.78357 66.24249 
1 1 1   14   48   18 o  315.751   37.831   2.8252   0.5835   3.9632   0.8826   1.9416   0.7777  378.084   45.406  253.419   60.524 124.6654 75.66245 
1 1 1   14   48   20 o  572.080   72.132   13.109   1.6913   14.581   1.9743   9.0502   3.2780  711.941   53.939  432.218  133.802 279.7226 144.2650 
1 1 1   14   48   22 o  270.064   46.150   2.2964   0.6335   2.3258   0.9084   2.2686   0.8839  271.394   65.786  268.734   64.742 2.660248 92.30025 
1 1 1   14   49    1 o  529.579   42.133   8.0272   1.1273   9.8178   1.6232   6.3587   1.5669  592.093   53.323  467.065   65.250 125.0278 84.26692 
1 1 1   14   49    3 o  194.473   44.021   1.0997   0.4980   1.0594   0.7069   1.1393   0.7016  191.547   62.476  197.399   62.032 -5.852615 88.04100 
1 1 1   14   49    5 o  250.643   44.826   1.8690   0.5757   2.0830   0.8661   1.6996   0.7706  262.951   64.546  238.335   62.220 24.61612 89.65250 
1 1 1   14   49    7 o  845.213   39.095   20.179   1.6923   20.538   2.5112   19.881   2.2906  848.879   57.539  841.546   52.943 7.332336 78.19007 
1 1 1   14   49    9 o  174.855   39.663   0.8431   0.4115   0.5921   0.5584   1.1413   0.6086  152.575   55.281  197.135   56.891 -44.55968 79.32604 
1 1 1   14   49   11 o  244.296   42.499   1.7623   0.5343   1.3822   0.7220   2.2226   0.7945  214.335   61.996  274.256   58.149 -59.92108 84.99869 
1 1 1   14   49   13 o  318.155   37.866   2.8963   0.6031   3.2838   0.8756   2.5465   0.8320  342.224   49.763  294.085   57.087 48.13940 75.73183 
1 1 1   14   49   15 o  390.939   38.249   4.3959   0.7604   4.5948   1.0228   4.1501   1.1370  404.304   49.208  377.575   58.572 26.72864 76.49845 
1 1 1   14   49   17 o  241.726   51.161   1.9811   0.6540   2.1312   0.7322   1.3892   1.4544  268.202   54.950  215.250   86.316 52.95164 102.3226 
1 1 1   14   49   19 o  222.677   51.932   1.7161   0.7318   2.0682   0.8502   0.7098   1.4374  256.609   64.513  188.745   81.399 67.86346 103.8642 
1 1 1   14   50    0 o  324.505   71.390   4.2251   1.2001   5.6094   1.5833   2.3558   1.8398  428.427   80.078  220.583  118.209 -0.000000 0.000000 
1 1 1   14   50    2 o  300.934   45.686   2.7427   0.6862   2.5068   0.9725   2.9767   0.9684  285.803   67.295  316.065   61.809 -30.26178 91.37299 
1 1 1   14   50    4 o  249.036   45.646   1.8832   0.5908   2.1495   0.8612   1.6463   0.8121  266.133   63.773  231.939   65.324 34.19308 91.29195 
1 1 1   14   50    6 o  141.803   37.590   0.4123   0.3624   0.7293   0.6061   0.2358   0.4522  163.959   57.799  119.646   48.077 44.31343 75.18040 
1 1 1   14   50    8 o  234.723   44.508   1.6951   0.5592   1.3049   0.8073   2.0552   0.7755  207.182   66.702  262.265   58.945 -55.08318 89.01529 
1 1 1   14   50   10 o  514.495   47.601   8.4873   1.0928   9.7807   1.3716   6.2395   1.8082  594.342   44.887  434.648   83.956 159.6932 95.20241 
1 1 1   14   50   12 o  226.283   42.195   1.5168   0.5180   0.9564   0.7003   2.1939   0.7697  181.250   62.236  271.316   56.994 -90.06589 84.38995 
1 1 1   14   50   14 o  482.929   39.678   6.9763   0.9340   8.9310   1.2931   4.8439   1.3505  566.484   44.398  399.374   65.774 167.1102 79.35640 
1 1 1   14   50   16 o  243.840   51.605   1.9985   0.7247   2.4526   0.9721   1.4304   1.0873  276.565   68.679  211.116   77.041 65.44841 103.2091 
1 1 1   14   51    1 o  338.131   47.629   3.5296   0.7987   3.7659   1.1319   3.2952   1.1273  351.634   65.003  324.628   69.633 27.00629 95.25819 
1 1 1   14   51    3 o  783.991   45.938   17.898   1.8201   15.648   2.3267   21.447   2.9217  726.849   62.263  841.133   67.562 -114.2840 91.87696 
1 1 1   14   51    5 o  396.339   49.659   4.7907   0.9843   4.1458   1.3040   5.6450   1.5008  361.831   72.620  430.847   67.752 -69.01608 99.31705 
1 1 1   14   51    7 o  160.942   42.616   0.6702   0.4766   0.7287   0.6604   0.6066   0.6885  164.347   60.030  157.536   60.504 6.810150 85.23125 
1 1 1   14   51    9 o  407.723   51.314   5.3310   1.0216   5.7878   1.3470   4.7125   1.5674  443.037   59.137  372.408   83.877 70.62866 102.6281 
1 1 1   14   51   11 o  435.150   43.285   5.5582   0.8798   3.3233   1.1640   8.5367   1.3438  320.553   72.347  549.747   47.543 -229.1942 86.57064 
1 1 1   14   51   13 o  486.243   43.150   7.0191   1.0297   6.7931   1.2777   7.4378   1.7392  485.759   51.159  486.728   69.501 -0.9680786 86.29988 
1 1 1   14   52    0 o  694.969   80.855   14.562   2.7869   14.562   2.7869   0.0000   0.0000  694.969   80.855  694.969   80.855 -0.000000 0.000000 
1 1 1   14   52    2 o  379.515   61.733   5.0350   1.1868   5.9741   1.7203   4.1822   1.6394  420.838   82.458  338.193   91.893 82.64520 123.4651 
1 1 1   14   52    4 o  339.605   63.553   4.2618   1.1525   3.4422   1.7116   4.9416   1.5589  297.368   97.230  381.842   81.866 -84.47403 127.1053 
1 1 1   14   52    6 o  147.693   40.637   0.5042   0.4377   0.5871   0.6837   0.4467   0.5698  154.903   60.073  140.484   54.741 14.41869 81.27356 
1 1 1   15    0    1 o  1909.15   68.872   94.877   6.7402   94.877   6.7402   0.0000   0.0000  1909.15   68.872  1909.15   68.872 -0.000000 0.000000 
1 1 1   15    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0    5 o   48.388   31.154   0.0000   0.1784   0.0000   0.1784   0.0000   0.0000   48.388   31.154   48.388   31.154 0.000000 0.000000 
1 1 1   15    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0    9 o  864.003   54.749   19.513   2.4096   19.513   2.4096   0.0000   0.0000  864.003   54.749  864.003   54.749 -0.000000 0.000000 
1 1 1   15    0   11 o  595.634   41.014   9.4026   1.2269   9.7163   1.7933   9.1266   1.6822  604.899   58.949  586.369   57.040 0.000000 0.000000 
1 1 1   15    0   13 o  117.690   39.433   0.4984   0.2937   0.2676   0.4126   0.7355   0.4181   92.200   53.410  143.179   58.026 -0.000000 0.000000 
1 1 1   15    0   15 o  3258.56   38.682  274.075   6.4748  277.564   9.0966  270.492   9.2183  3279.77   53.980  3237.35   55.422 0.000000 0.000000 
1 1 1   15    0   17 o  536.545   42.148   7.7707   1.1014   6.4236   1.5656   9.0905   1.5497  486.034   66.111  587.056   52.300 -0.000000 0.000000 
1 1 1   15    0   19 o   92.093   36.010   0.2980   0.2513   0.2396   0.3686   0.3486   0.3434   87.242   50.507   96.944   51.341 -0.000000 0.000000 
1 1 1   15    0   21 o  1734.33   55.207   77.784   4.9113   77.784   4.9113   0.0000   0.0000  1734.33   55.207  1734.33   55.207 0.000000 0.000000 
1 1 1   15    0   23 o  215.718   75.837   1.5753   0.7630   1.5753   0.7630   0.0000   0.0000  215.718   75.837  215.718   75.837 -0.000000 0.000000 
1 1 1   15    0   25 o  2048.73   39.788  108.506   4.1811  113.952   5.9706  103.266   5.8569  2099.45   55.402  1998.01   57.122 -0.000000 0.000000 
1 1 1   15    0   27 o   73.417   32.288   0.0772   0.2472   0.1617   0.3577   0.0000   0.3419   79.876   48.074   66.957   43.115 0.000000 0.000000 
1 1 1   15    0   29 o  1232.89   40.501   39.518   2.5536   41.026   3.6388   38.054   3.5845  1256.38   56.596  1209.41   57.951 -0.000000 0.000000 
1 1 1   15    0   31 o  292.579   54.233   2.6351   0.7048   2.7895   0.9799   2.4695   1.0146  306.208   71.609  278.950   81.469 0.000000 0.000000 
1 1 1   15    0   33 o  1647.02   57.514   70.589   4.8567   70.589   4.8567   0.0000   0.0000  1647.02   57.514  1647.02   57.514 0.000000 0.000000 
1 1 1   15    0   35 o  1581.34   41.172   65.225   3.3360   67.405   4.7702   63.137   4.6673  1607.43   57.891  1555.25   58.559 -0.000000 0.000000 
1 1 1   15    0   37 o   93.351   38.803   0.2112   0.3284   0.4454   0.4768   0.0000   0.4528  109.970   59.780   76.732   49.486 0.000000 0.000000 
1 1 1   15    0   39 o  418.568   68.048   4.9348   1.3482   4.9348   1.3482   0.0000   0.0000  418.568   68.048  418.568   68.048 0.000000 0.000000 
1 1 1   15    0   41 o  451.437   66.120   5.6896   1.4383   5.6896   1.4383   0.0000   0.0000  451.437   66.120  451.437   66.120 0.000000 0.000000 
1 1 1   15    0   43 o  118.394   65.294   0.5197   0.5778   0.5197   0.5778   0.0000   0.0000  118.394   65.294  118.394   65.294 0.000000 0.000000 
1 1 1   15    0   45 o  678.497   63.289   12.533   2.1636   12.533   2.1636   0.0000   0.0000  678.497   63.289  678.497   63.289 0.000000 0.000000 
1 1 1   15    0   47 o   94.208   55.127   0.2852   0.4465   0.0000   0.0000   0.2852   0.4465   94.208   55.127   94.208   55.127 -0.000000 0.000000 
1 1 1   15    0   49 o  123.747   66.694   0.5960   0.5888   0.0000   0.0000   0.5960   0.5888  123.747   66.694  123.747   66.694 -0.000000 0.000000 
1 1 1   15    0   51 o  298.655   51.233   2.5541   0.7172   0.0000   0.0000   2.5541   0.7172  298.655   51.233  298.655   51.233 -0.000000 0.000000 
1 1 1   15    0   53 o  186.083   78.728   1.3537   0.7620   1.3537   0.7620   0.0000   0.0000  186.083   78.728  186.083   78.728 0.000000 0.000000 
1 1 1   15    0   55 o  511.810   70.725   7.7158   1.7597   7.7158   1.7597   0.0000   0.0000  511.810   70.725  511.810   70.725 0.000000 0.000000 
1 1 1   15    1    0 o  454.848   77.730   5.8118   1.6583   0.0000   0.0000   5.8118   1.6583  454.848   77.730  454.848   77.730 -0.000000 0.000000 
1 1 1   15    1    2 o  1726.27   67.095   77.882   5.9548   0.0000   0.0000   77.882   5.9548  ?   ?   1726.27   67.095      ?      ? 
1 1 1   15    1    4 o  989.095   46.769   25.640   2.3578   24.870   3.5444   26.252   3.1579  974.593   70.737  1003.60   61.202 -29.00507 93.53832 
1 1 1   15    1    6 o  580.051   35.723   8.6827   1.0378   8.5262   1.3202   8.9358   1.6788  573.824   44.750  586.278   55.696 -12.45367 71.44636 
1 1 1   15    1    8 o  1532.13   42.610   61.040   3.3158   60.689   4.3585   61.523   5.1088  1528.36   55.467  1535.90   64.697 -7.538696 85.21909 
1 1 1   15    1   10 o  1123.66   33.556   32.369   1.8660   33.821   3.1214   31.561   2.3277  1142.10   53.159  1105.22   40.964 36.88354 67.11165 
1 1 1   15    1   12 o  1217.43   27.708   38.263   1.7336   38.788   2.4303   37.720   2.4737  1226.00   38.556  1208.85   39.802 17.15332 55.41507 
1 1 1   15    1   14 f  245.567   27.965   1.5554   0.3531   1.5475   0.4993   1.5634   0.4993  244.935   39.649  246.198   39.447 -1.262527 55.92933 
1 1 1   15    1   16 o  2093.20   27.348  112.968   2.9428  114.598   4.1590  111.335   4.1646  2108.36   38.368  2078.04   38.980 30.32568 54.69547 
1 1 1   15    1   18 o  1572.32   27.494   63.731   2.2225   64.255   3.1409   63.206   3.1452  1578.82   38.694  1565.83   39.070 12.98596 54.98802 
1 1 1   15    1   20 o  1361.42   33.822   47.953   2.2370   47.534   3.8464   48.168   2.7499  1355.94   55.176  1366.89   39.131 -10.94641 67.64306 
1 1 1   15    1   22 o  712.796   39.652   13.102   1.4531   13.102   1.4531   0.0000   0.0000  712.796   39.652  ?   ?       ?      ? 
1 1 1   15    1   24 o  1380.03   28.035   49.141   1.9885   47.816   2.8162   50.458   2.8082  1361.41   40.235  1398.66   39.052 -37.24902 56.07055 
1 1 1   15    1   26 o  478.332   28.757   5.9108   0.7065   6.1700   0.9956   5.6478   1.0028  488.958   39.605  467.707   41.704 21.25031 57.51356 
1 1 1   15    1   28 o  1661.03   28.407   71.314   2.4228   67.089   3.4219   75.562   3.4309  1611.42   41.304  1710.63   39.011 -99.20593 56.81386 
1 1 1   15    1   30 o  513.081   29.401   6.8424   0.7682   7.9816   1.0921   5.7271   1.0806  555.798   38.220  470.363   44.686 85.43460 58.80163 
1 1 1   15    1   32 o  1015.54   34.859   26.420   1.7274   28.043   2.9903   25.607   2.1163  1036.95   56.090  994.124   41.406 42.82880 69.71765 
1 1 1   15    1   34 o  491.542   43.528   6.3928   1.0685   8.3997   1.5503   4.5771   1.4746  566.913   53.190  416.170   68.918 150.7431 87.05668 
1 1 1   15    1   36 o  153.994   32.712   0.6265   0.3210   0.9834   0.4022   0.0000   0.5328  190.709   42.139  117.279   50.046 73.43075 65.42407 
1 1 1   15    1   38 o  402.220   38.034   4.3813   0.7375   4.6331   0.9148   3.9137   1.2465  421.144   42.248  383.296   63.256 37.84821 76.06729 
1 1 1   15    1   40 o  506.985   36.988   6.8140   0.9175   6.8259   1.1372   6.7917   1.5528  509.971   43.375  504.000   59.925 5.971497 73.97563 
1 1 1   15    1   42 o  747.519   42.756   15.075   1.6426   15.630   2.3366   14.534   2.3095  761.554   59.679  733.484   61.243 28.06989 85.51135 
1 1 1   15    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    1   46 o  210.207   37.147   1.0899   0.4988   0.0000   0.6959   2.2411   0.7152  131.229   56.617  289.185   48.106 -157.9567 74.29414 
1 1 1   15    1   48 o  290.022   37.924   1.9790   0.5254   1.1880   0.6289   3.8075   0.9562  204.760   57.419  375.285   49.557 -170.5250 75.84728 
1 1 1   15    1   50 o  469.419   45.106   6.2393   1.0885   6.3661   1.5469   6.1150   1.5319  474.390   63.424  464.448   64.154 9.942047 90.21275 
1 1 1   15    1   52 o  163.614   37.226   0.7469   0.3466   0.7986   0.4206   0.6375   0.6117  168.104   46.892  159.123   57.829 8.980530 74.45187 
1 1 1   15    1   54 o  146.567   36.929   0.3702   0.3682   1.0325   0.6149   0.0000   0.4598  187.453   57.939  105.681   45.806 81.77193 73.85887 
1 1 1   15    1   56 o  150.962   34.472   0.6442   0.3509   0.9966   0.4364   0.0000   0.5900  184.892   46.077  117.032   51.285 67.85973 68.94355 
1 1 1   15    2    1 f  1201.80   48.711   37.801   3.0077   36.338   4.2628   39.252   4.2444  1178.17   70.375  1225.43   67.369 -47.25806 97.42278 
1 1 1   15    2    3 o  2269.88   46.093  134.441   5.3768  137.921   7.7441  131.203   7.4710  2298.02   65.546  2241.74   64.823 56.27612 92.18591 
1 1 1   15    2    5 o  837.044   36.766   18.113   1.5508   17.807   1.9963   18.579   2.4628  828.939   46.843  845.150   56.680 -16.21075 73.53125 
1 1 1   15    2    7 o  1165.41   30.081   35.105   1.8010   37.056   2.5877   33.271   2.5083  1196.88   42.053  1133.94   43.024 62.93787 60.16272 
1 1 1   15    2    9 o  788.050   36.443   15.470   1.3534   14.595   1.5983   17.687   2.5442  751.417   41.371  824.684   60.007 -73.26715 72.88595 
1 1 1   15    2   11 o  1921.40   33.896   95.682   3.2036   94.955   5.3666   96.085   3.9930  1913.89   54.540  1928.92   40.264 -15.02612 67.79264 
1 1 1   15    2   13 o  757.850   33.436   14.697   1.2439   15.323   2.1183   14.367   1.5368  769.495   53.545  746.205   40.059 23.28961 66.87119 
1 1 1   15    2   15 o  632.291   27.477   10.308   0.8931   10.294   1.2519   10.323   1.2745  631.852   38.537  632.730   39.178 -0.8773193 54.95469 
1 1 1   15    2   17 o  1962.08   27.485   99.261   2.7720  101.259   3.9130   97.248   3.9276  1981.97   38.401  1942.19   39.333 39.78210 54.97038 
1 1 1   15    2   19 o  1090.30   27.608   30.647   1.5474   31.041   2.1843   30.250   2.1925  1097.35   38.717  1083.23   39.368 14.11963 55.21605 
1 1 1   15    2   21 o  1334.55   39.421   46.061   2.7045   46.087   3.7946   46.034   3.8555  1335.01   55.286  1334.10   56.211 0.9093018 78.84280 
1 1 1   15    2   23 o  214.775   41.078   1.2248   0.4742   0.8844   0.6657   1.5753   0.6755  187.571   60.590  241.978   55.485 -54.40652 82.15691 
1 1 1   15    2   25 f  2313.75   28.070  138.138   3.3390  137.206   4.7277  139.066   4.7164  2305.93   39.878  2321.58   39.514 -15.65503 56.13935 
1 1 1   15    2   27 o  620.153   28.507   9.9316   0.9084   9.5207   1.2810   10.347   1.2883  607.202   41.036  633.104   39.580 -25.90253 57.01354 
1 1 1   15    2   29 o  391.092   29.250   3.9531   0.5881   3.9642   0.8317   3.9420   0.8317  391.643   41.308  390.540   41.422 1.102753 58.49911 
1 1 1   15    2   31 o  589.144   29.862   9.0845   0.8871   11.195   1.2613   7.0189   1.2479  658.051   37.282  520.236   46.658 137.8151 59.72326 
1 1 1   15    2   33 o  795.407   40.955   16.408   1.6748   16.408   1.6748   0.0000   0.0000  795.407   40.955  ?   ?       ?      ? 
1 1 1   15    2   35 o  169.083   37.643   0.5692   0.4131   1.3050   0.6255   0.0000   0.5501  218.922   55.501  119.244   50.868 99.67802 75.28519 
1 1 1   15    2   37 o  444.547   38.691   5.4528   0.8137   5.9492   1.0039   4.5018   1.3894  477.817   40.867  411.276   65.709 66.54105 77.38116 
1 1 1   15    2   39 o  362.906   36.473   3.2346   0.6555   2.5773   0.8067   4.5119   1.1246  312.683   50.180  413.130   52.945 -100.4471 72.94658 
1 1 1   15    2   41 o  285.663   40.705   2.3592   0.5613   2.7210   0.7087   1.7506   0.9194  321.704   42.850  249.622   69.221 72.08194 81.41035 
1 1 1   15    2   43 o  734.521   60.940   14.637   2.3013   14.637   2.3013   0.0000   0.0000  734.521   60.940  ?   ?       ?      ? 
1 1 1   15    2   45 o  660.182   44.719   12.098   1.4929   9.8301   2.1260   14.304   2.0968  593.972   69.618  726.393   56.147 -132.4207 89.43739 
1 1 1   15    2   47 o  184.329   37.386   0.9990   0.3775   1.1884   0.4541   0.5755   0.6791  207.496   43.935  161.162   60.503 46.33412 74.77224 
1 1 1   15    2   49 o  497.951   38.835   6.8763   0.9288   7.0096   1.1384   6.6110   1.6063  511.322   43.304  484.581   64.477 26.74191 77.66909 
1 1 1   15    2   51 o  331.579   47.951   3.2625   0.7899   3.0835   1.1082   3.4473   1.1261  321.251   69.144  341.907   66.456 -20.65518 95.90250 
1 1 1   15    2   53 o  657.683   44.541   11.849   1.5061   11.849   1.5061   0.0000   0.0000  657.683   44.541  ?   ?       ?      ? 
1 1 1   15    2   55 o  698.056   39.604   13.750   1.3423   13.010   1.6352   15.280   2.3505  682.050   46.633  714.062   64.026 -32.01257 79.20868 
1 1 1   15    3    0 o  828.688   48.846   17.914   2.0645   17.914   2.0645   0.0000   0.0000  828.688   48.846  828.688   48.846 0.000000 0.000000 
1 1 1   15    3    2 o  810.177   47.440   17.148   1.9754   17.446   2.8383   16.867   2.7510  816.917   67.580  803.438   66.598 13.47882 94.88071 
1 1 1   15    3    4 o  2158.78   32.534  120.643   3.6059  122.448   5.2566  119.038   4.9557  2173.64   47.038  2143.91   44.960 29.72974 65.06895 
1 1 1   15    3    6 o  520.597   42.485   7.2380   1.0248   7.4974   1.2234   6.6277   1.8765  538.165   44.216  503.029   72.559 35.13565 84.96938 
1 1 1   15    3    8 o  441.900   45.156   5.6241   0.8507   6.1853   1.0078   4.2327   1.5869  489.205   40.070  394.595   80.937 94.60986 90.31250 
1 1 1   15    3   10 o  272.182   37.315   1.8138   0.4614   1.5921   0.5393   2.4189   0.8909  244.391   44.567  299.973   59.862 -55.58179 74.63083 
1 1 1   15    3   12 o  1209.78   33.882   37.902   2.0124   37.621   3.3857   38.056   2.5024  1205.27   54.638  1214.29   40.083 -9.019653 67.76391 
1 1 1   15    3   14 o  1033.41   27.595   27.564   1.4647   28.154   2.0406   26.936   2.1036  1044.93   37.984  1021.90   40.039 23.02979 55.18937 
1 1 1   15    3   16 o  1155.79   27.546   34.440   1.6366   34.468   2.2943   34.411   2.3352  1156.30   38.593  1155.28   39.315 1.018555 55.09184 
1 1 1   15    3   18 o  793.597   27.705   16.235   1.1303   16.130   1.5923   16.341   1.6049  791.020   39.152  796.173   39.208 -5.153320 55.40927 
1 1 1   15    3   20 o  723.528   39.604   13.555   1.4707   14.414   2.0749   12.687   2.0849  746.740   54.044  700.317   57.906 46.42285 79.20790 
1 1 1   15    3   22 o  2069.13   33.325  108.302   3.3755  103.512   4.1372  117.839   5.8378  2003.37   40.167  2134.88   53.187 -131.5096 66.65013 
1 1 1   15    3   24 o  292.263   35.149   2.0136   0.4923   3.2588   0.8638   1.4145   0.5991  355.155   47.305  229.372   52.002 125.7836 70.29863 
1 1 1   15    3   26 o  1026.33   28.315   27.188   1.4941   27.105   2.1117   27.270   2.1142  1024.76   40.080  1027.89   40.006 -3.132690 56.62986 
1 1 1   15    3   28 o  433.149   29.111   4.8508   0.6478   4.9797   0.9076   4.7170   0.9250  439.068   40.206  427.230   42.111 11.83801 58.22260 
1 1 1   15    3   30 o  1369.15   28.567   48.498   2.0087   45.817   2.8364   51.197   2.8451  1330.94   41.452  1407.35   39.321 -76.41113 57.13486 
1 1 1   15    3   32 o  310.974   64.377   2.6240   0.9954   2.6240   0.9954   0.0000   0.0000  310.974   64.377  ?   ?       ?      ? 
1 1 1   15    3   34 o  346.619   45.602   3.2604   0.7827   3.1891   1.1079   3.3314   1.1059  342.549   65.291  350.688   63.682 -8.139160 91.20487 
1 1 1   15    3   36 o  577.215   37.562   9.1014   1.0321   9.8332   1.2748   7.7091   1.7584  614.785   40.333  539.644   63.379 75.14105 75.12374 
1 1 1   15    3   38 o  144.786   34.375   0.4688   0.3369   0.8277   0.4476   0.0000   0.5116  174.869   48.228  114.703   48.996 60.16639 68.74980 
1 1 1   15    3   40 o  882.306   36.951   20.970   1.5709   21.688   1.9345   19.581   2.6917  909.766   41.358  854.846   61.245 54.92029 73.90137 
1 1 1   15    3   42 o  307.950   37.548   2.4292   0.5637   2.0913   0.6936   3.0864   0.9673  276.476   50.661  339.424   55.433 -62.94766 75.09597 
1 1 1   15    3   44 o  911.765   35.954   22.998   1.4342   23.762   1.6619   20.770   2.8388  952.592   33.934  870.938   63.397 81.65430 71.90768 
1 1 1   15    3   46 o  278.144   40.975   2.0953   0.5509   1.8459   0.6879   2.5413   0.9200  256.925   53.798  299.363   61.819 -42.43820 81.95074 
1 1 1   15    3   48 o  178.800   38.891   0.8631   0.3665   0.8546   0.4313   0.8853   0.6954  175.213   46.932  182.388   62.028 -7.175339 77.78175 
1 1 1   15    3   50 o  401.677   45.094   4.5717   0.9312   4.5237   1.3063   4.6213   1.3278  399.649   63.574  403.705   63.971 -4.055664 90.18858 
1 1 1   15    3   52 o  244.492   46.810   1.8067   0.6208   2.3178   0.8731   1.2840   0.8829  279.862   62.282  209.121   69.897 70.74113 93.62018 
1 1 1   15    3   54 o  149.152   38.276   0.4008   0.4008   1.0307   0.6427   0.0000   0.5126  187.265   59.435  111.039   48.247 76.22623 76.55214 
1 1 1   15    3   56 o  204.930   40.979   1.2541   0.4334   1.1866   0.5310   1.3888   0.7503  199.557   51.430  210.303   63.812 -10.74667 81.95782 
1 1 1   15    4    1 o  1235.84   41.549   39.189   2.4896   41.494   4.3634   38.076   3.0314  1259.94   67.361  1211.74   48.660 48.20068 83.09817 
1 1 1   15    4    3 o  797.684   41.450   16.900   1.5639   15.679   2.7749   17.469   1.8932  774.057   69.729  821.310   44.836 -47.25287 82.89953 
1 1 1   15    4    5 o  460.477   32.344   5.5569   0.7562   4.9132   1.1168   6.1018   1.0277  435.232   49.911  485.722   41.152 -50.48953 64.68829 
1 1 1   15    4    7 o  738.128   30.292   14.089   1.1492   14.288   1.6495   13.902   1.6020  743.148   43.173  733.107   42.504 10.04089 60.58461 
1 1 1   15    4    9 o  977.282   29.027   24.739   1.4547   25.903   2.0194   23.484   2.0974  1001.46   39.221  953.109   42.803 48.34546 58.05478 
1 1 1   15    4   11 o  1519.48   35.950   58.892   2.5290   57.796   2.9736   61.759   4.8081  1496.47   38.650  1542.49   60.629 -46.01355 71.90071 
1 1 1   15    4   13 o  1262.53   27.762   41.086   1.8003   40.436   2.4847   41.804   2.6121  1252.10   38.598  1272.95   39.913 -20.84961 55.52303 
1 1 1   15    4   15 o  912.191   27.733   21.471   1.2995   21.926   1.8124   20.990   1.8642  922.214   38.226  902.168   40.191 20.04596 55.46695 
1 1 1   15    4   17 o  1754.78   27.637   79.373   2.4932   78.760   3.4990   80.005   3.5534  1747.92   38.936  1761.64   39.234 -13.72083 55.27485 
1 1 1   15    4   19 o  788.239   39.448   16.062   1.5985   15.848   2.2430   16.282   2.2786  782.927   55.724  793.550   55.851 -10.62268 78.89527 
1 1 1   15    4   21 o  1946.77   27.804   97.722   2.7828   96.881   3.9327   98.566   3.9383  1938.36   39.463  1955.19   39.179 -16.82898 55.60847 
1 1 1   15    4   23 f  1077.48   33.986   29.843   1.7824   29.531   2.1872   30.460   3.0752  1069.98   39.760  1084.98   55.129 -14.99805 67.97128 
1 1 1   15    4   25 o  1132.44   28.121   33.100   1.6368   33.986   2.3135   32.212   2.3160  1147.68   39.208  1117.20   40.322 30.47083 56.24179 
1 1 1   15    4   27 o  2054.11   28.301  108.949   2.9886  110.369   4.2267  107.529   4.2265  2067.56   39.762  2040.67   40.284 26.89124 56.60274 
1 1 1   15    4   29 o  814.106   34.306   16.927   1.3655   16.416   1.6763   17.933   2.3539  796.997   40.910  831.215   55.081 -34.21808 68.61194 
1 1 1   15    4   31 o  952.583   40.289   23.648   1.9726   23.062   2.7918   24.233   2.7877  940.617   57.730  964.548   56.215 -23.93024 80.57826 
1 1 1   15    4   33 o  1058.66   33.660   27.519   1.7597   23.673   2.1538   35.241   3.0517  954.657   43.882  1162.67   51.052 -208.0134 67.31949 
1 1 1   15    4   35 o  281.494   43.250   2.1210   0.6406   3.3106   0.9376   1.0795   0.8773  355.724   51.264  207.265   69.671 148.4588 86.49921 
1 1 1   15    4   37 o  311.868   38.550   2.5702   0.5839   2.4756   0.7332   2.7342   0.9653  307.578   46.367  316.157   61.599 -8.579163 77.09965 
1 1 1   15    4   39 o  1164.66   33.806   35.541   1.7622   35.386   2.0410   35.993   3.4930  1166.32   34.037  1163.00   58.419 3.319214 67.61105 
1 1 1   15    4   41 o  877.467   35.888   19.909   1.5440   18.759   1.8927   22.195   2.6694  844.206   43.608  910.728   57.010 -66.52240 71.77590 
1 1 1   15    4   43 o  667.586   34.996   11.668   1.2011   11.668   1.2011   0.0000   0.0000  667.586   34.996  ?   ?       ?      ? 
1 1 1   15    4   45 o  542.831   37.730   8.0111   0.9895   8.1406   1.2167   7.7583   1.7004  553.976   42.720  531.687   62.204 22.28931 75.46053 
1 1 1   15    4   47 o  622.930   35.929   9.3650   1.0872   6.9336   1.3089   14.774   1.9523  506.833   50.231  739.026   51.384 -232.1933 71.85732 
1 1 1   15    4   49 o  220.149   41.343   1.4236   0.4636   1.5275   0.5651   1.2097   0.8107  233.606   48.630  206.691   66.875 26.91533 82.68683 
1 1 1   15    4   51 o  738.549   44.354   15.565   1.6821   16.306   2.3742   14.817   2.3837  758.326   60.895  718.771   64.504 39.55463 88.70715 
1 1 1   15    4   53 o  470.580   45.010   6.0792   1.0890   6.0792   1.0890   0.0000   0.0000  470.580   45.010  ?   ?       ?      ? 
1 1 1   15    4   55 o  237.111   39.971   1.8656   0.5350   2.5690   0.6756   0.6825   0.8761  304.731   43.120  169.492   67.315 135.2388 79.94119 
1 1 1   15    5    0 o  1727.20   69.211   77.729   6.1235   77.729   6.1235   0.0000   0.0000  1727.20   69.211  1727.20   69.211 0.000000 0.000000 
1 1 1   15    5    2 f  1275.71   46.891   42.617   3.0637   41.093   4.4839   43.951   4.1958  1253.24   69.590  1298.18   62.866 -44.94470 93.78127 
1 1 1   15    5    4 o  610.948   32.193   9.6921   1.0043   9.4326   1.4993   9.9033   1.3526  603.221   48.345  618.675   42.525 -15.45386 64.38657 
1 1 1   15    5    6 o  420.496   31.078   4.5645   0.6710   4.8045   0.9800   4.3527   0.9206  430.857   44.239  410.135   43.659 20.72174 62.15502 
1 1 1   15    5    8 o  1239.90   29.467   39.754   1.8773   40.347   2.6222   39.131   2.6889  1249.52   40.818  1230.27   42.511 19.25342 58.93424 
1 1 1   15    5   10 o  712.510   34.909   13.113   1.2252   13.229   2.0545   13.050   1.5263  714.260   55.947  710.759   41.767 3.500793 69.81816 
1 1 1   15    5   12 o  1605.44   41.062   66.637   3.3685   65.541   4.5041   68.029   5.0742  1591.11   55.060  1619.76   60.932 -28.64417 82.12393 
1 1 1   15    5   14 o  460.542   27.976   5.4612   0.6619   5.2130   0.9159   5.7325   0.9576  449.604   39.623  471.479   39.504 -21.87509 55.95150 
1 1 1   15    5   16 o  858.149   27.808   18.974   1.2265   18.398   1.7105   19.584   1.7596  844.743   39.384  871.555   39.268 -26.81195 55.61542 
1 1 1   15    5   18 o  676.305   39.570   11.856   1.3715   12.851   1.9305   10.843   1.9488  705.200   53.247  647.409   58.548 57.79138 79.13951 
1 1 1   15    5   20 o  3031.62   27.807  236.962   4.3334  231.194   6.1110  242.796   6.1458  2994.43   39.695  3068.81   38.953 -74.38354 55.61458 
1 1 1   15    5   22 o  2090.12   27.905  112.679   2.9982  114.717   4.2361  110.633   4.2440  2109.13   39.066  2071.11   39.856 38.01880 55.80920 
1 1 1   15    5   24 o  804.051   39.960   16.778   1.6463   15.204   2.3287   18.351   2.3278  765.981   59.132  842.120   53.765 -76.13885 79.92040 
1 1 1   15    5   26 o  518.120   33.891   6.6736   0.8649   6.0743   1.0598   7.8682   1.4964  484.975   42.505  551.266   52.798 -66.29099 67.78113 
1 1 1   15    5   28 o  669.768   34.764   11.506   1.1326   11.281   1.3862   11.958   1.9645  660.786   40.802  678.750   56.296 -17.96399 69.52709 
1 1 1   15    5   30 o  565.146   40.866   8.3134   1.1871   8.2962   1.6955   8.3301   1.6627  564.494   58.420  565.799   57.159 -1.304993 81.73123 
1 1 1   15    5   32 o  445.256   40.948   5.1382   0.9374   5.1382   0.9374   0.0000   0.0000  445.256   40.948  ?   ?       ?      ? 
1 1 1   15    5   34 o  337.017   38.666   3.0399   0.6079   3.0765   0.7409   2.9646   1.0635  344.091   41.882  329.943   65.010 14.14850 77.33281 
1 1 1   15    5   36 f  177.633   34.561   0.9248   0.3244   1.1010   0.3796   0.4475   0.6246  202.679   37.818  152.587   57.858 50.09175 69.12130 
1 1 1   15    5   38 o  1015.33   34.422   27.663   1.5532   28.274   1.8050   25.918   3.0489  1043.21   33.653  987.451   60.057 55.75458 68.84317 
1 1 1   15    5   40 o  398.511   33.964   3.9481   0.6072   3.7120   0.6955   4.7051   1.2452  377.205   35.861  419.817   57.691 -42.61227 67.92883 
1 1 1   15    5   42 o  893.671   42.057   21.039   1.9324   21.039   1.9324   0.0000   0.0000  893.671   42.057  ?   ?       ?      ? 
1 1 1   15    5   44 o  324.054   39.904   2.9651   0.5544   3.0486   0.6424   2.7214   1.0975  340.621   36.681  307.488   70.878 33.13339 79.80735 
1 1 1   15    5   46 f  443.636   41.652   5.9021   0.7488   6.3604   0.8668   4.5536   1.4868  492.047   34.264  395.224   75.930 96.82336 83.30320 
1 1 1   15    5   48 o  361.268   41.691   4.0006   0.6233   4.3683   0.7262   2.9718   1.2146  406.984   34.705  315.552   75.816 91.43152 83.38124 
1 1 1   15    5   50 o  352.398   48.326   3.6197   0.8528   2.7050   1.1722   4.6483   1.2430  297.548   76.270  407.247   59.367 -109.6987 96.65153 
1 1 1   15    5   52 o  365.357   46.304   3.6580   0.8698   3.6580   0.8698   0.0000   0.0000  365.357   46.304  ?   ?       ?      ? 
1 1 1   15    5   54 o  318.794   51.215   3.1884   0.8216   2.7499   1.1235   3.6923   1.2044  292.948   74.444  344.639   70.356 -51.69113 102.4294 
1 1 1   15    5   56 o  231.102   43.420   1.7327   0.5169   1.8907   0.6261   1.3950   0.9157  253.885   49.748  208.319   71.177 45.56653 86.83916 
1 1 1   15    6    1 o  153.066   35.527   0.5977   0.3264   0.2945   0.5762   0.7410   0.3961  139.680   54.870  166.452   45.145 -26.77251 71.05488 
1 1 1   15    6    3 o  1096.06   40.859   31.814   2.0684   29.938   3.8373   32.582   2.4557  1069.93   69.759  1122.20   42.563 -52.26221 81.71885 
1 1 1   15    6    5 o  602.932   31.748   9.3956   0.9804   9.5684   1.4572   9.2528   1.3251  607.824   46.630  598.040   43.099 9.783875 63.49664 
1 1 1   15    6    7 o  1760.51   30.163   80.168   2.7289   77.784   3.8718   82.522   3.8467  1734.31   43.423  1786.72   41.876 -52.41431 60.32518 
1 1 1   15    6    9 f  1062.05   28.844   29.049   1.5724   27.673   2.1498   30.632   2.3058  1035.13   40.396  1088.97   41.185 -53.84192 57.68891 
1 1 1   15    6   11 o  1536.02   28.328   60.725   2.2325   58.547   3.0413   63.270   3.2874  1506.35   39.270  1565.69   40.839 -59.34216 56.65685 
1 1 1   15    6   13 o  1561.10   33.975   62.453   2.6246   64.772   4.3842   61.158   3.2767  1582.54   53.885  1539.66   41.394 42.87671 67.94906 
1 1 1   15    6   15 o  1059.57   27.958   28.966   1.5212   29.376   2.1092   28.521   2.1961  1067.48   38.432  1051.66   40.616 15.81677 55.91689 
1 1 1   15    6   17 o  848.597   33.735   18.339   1.4072   19.434   2.3985   17.765   1.7377  867.168   53.798  830.027   40.719 37.14136 67.47050 
1 1 1   15    6   19 o  1354.26   34.348   47.394   2.2406   47.467   2.7294   47.243   3.9237  1356.91   39.125  1351.60   56.465 5.317749 68.69501 
1 1 1   15    6   21 o  934.028   34.604   22.805   1.5572   23.336   1.9082   21.746   2.6941  951.331   39.014  916.726   57.162 34.60553 69.20747 
1 1 1   15    6   23 o  1079.25   34.969   30.790   1.8137   32.169   2.2312   28.103   3.1142  1116.80   38.859  1041.69   58.148 75.11365 69.93739 
1 1 1   15    6   25 o  2637.94   39.703  180.315   5.3837  177.682   7.6454  182.904   7.5824  2618.60   56.788  2657.27   55.501 -38.67676 79.40600 
1 1 1   15    6   27 o  943.625   36.107   24.016   1.6209   25.904   1.9977   20.377   2.7733  1001.66   38.791  885.585   60.912 116.0786 72.21491 
1 1 1   15    6   29 o  307.771   36.596   2.2200   0.5369   1.6288   0.6459   3.5415   0.9657  245.970   52.666  369.571   50.827 -123.6003 73.19173 
1 1 1   15    6   31 o  452.814   59.867   5.3542   1.3937   5.3542   1.3937   0.0000   0.0000  452.814   59.867  ?   ?       ?      ? 
1 1 1   15    6   33 o  573.352   32.018   7.9813   0.8382   7.3813   0.9661   9.8070   1.6853  533.987   35.191  612.718   53.499 -78.73181 64.03580 
1 1 1   15    6   35 o  755.867   34.596   14.412   1.2863   13.257   1.5763   16.715   2.2256  713.537   42.968  798.198   54.233 -84.66107 69.19183 
1 1 1   15    6   37 o  1047.77   33.553   28.581   1.5728   28.386   1.8196   29.156   3.1277  1045.67   33.846  1049.88   57.945 -4.212158 67.10600 
1 1 1   15    6   39 o  973.455   34.173   25.045   1.4853   25.134   1.7217   24.789   2.9368  982.745   34.076  964.165   59.246 18.57977 68.34634 
1 1 1   15    6   41 o  572.481   43.265   8.8331   1.2734   8.7239   1.7980   8.9430   1.8036  568.803   61.484  576.159   60.888 -7.356812 86.53092 
1 1 1   15    6   43 o  304.905   39.328   2.6122   0.5180   2.6818   0.6000   2.4086   1.0261  319.724   36.503  290.087   69.672 29.63681 78.65537 
1 1 1   15    6   45 o  250.490   38.087   1.4875   0.4804   0.8595   0.5842   2.7990   0.8443  178.347   56.673  322.634   50.900 -144.2872 76.17499 
1 1 1   15    6   47 o  288.525   40.848   2.7558   0.5172   3.2225   0.6033   1.4616   1.0046  350.114   33.517  226.935   74.505 123.1795 81.69658 
1 1 1   15    6   49 o  236.079   38.392   1.6824   0.4328   1.8650   0.5112   1.2195   0.8137  264.974   37.522  207.184   66.992 57.79002 76.78401 
1 1 1   15    6   51 o  514.306   46.652   7.6595   1.2204   6.4598   1.7145   8.8917   1.7376  468.737   71.145  559.876   60.365 -91.13879 93.30371 
1 1 1   15    6   53 o  165.215   36.484   0.8137   0.3584   1.0134   0.4260   0.3304   0.6629  188.750   44.607  141.680   57.746 47.07028 72.96828 
1 1 1   15    6   55 o  132.378   36.539   0.2698   0.3662   0.0000   0.4700   0.6867   0.5843  106.099   46.149  158.658   56.663 -52.55931 73.07867 
1 1 1   15    7    0 o  501.893   50.353   6.6964   1.2693   0.0000   0.0000   6.6964   1.2693  501.893   50.353  501.893   50.353 -0.000000 0.000000 
1 1 1   15    7    2 o  1442.72   44.436   53.984   3.2424   55.691   5.0965   52.822   4.2026  1460.16   67.890  1425.30   57.351 34.85999 88.87143 
1 1 1   15    7    4 o  205.262   38.531   1.0654   0.3839   1.3067   0.7189   0.9692   0.4540  220.773   61.206  189.749   46.824 31.02405 77.06271 
1 1 1   15    7    6 o  1016.90   31.206   26.783   1.6285   26.022   2.3542   27.481   2.2552  1002.82   45.661  1030.98   42.547 -28.16382 62.41110 
1 1 1   15    7    8 f  349.933   29.641   3.1686   0.5321   3.2513   0.7345   3.0773   0.7719  354.811   40.264  345.055   43.511 9.755859 59.28199 
1 1 1   15    7   10 o  1461.62   28.709   55.054   2.1520   53.967   2.9295   56.328   3.1717  1446.14   39.401  1477.09   41.765 -30.94995 57.41731 
1 1 1   15    7   12 o  1318.43   41.950   44.749   2.8221   42.926   3.7363   47.172   4.3061  1287.81   56.431  1349.04   62.086 -61.22461 83.89988 
1 1 1   15    7   14 o  261.323   38.036   2.0846   0.4933   0.8469   0.8048   2.8292   0.6243  191.331   66.662  331.315   36.650 -139.9847 76.07289 
1 1 1   15    7   16 o  1378.33   55.040   49.112   3.9003   49.112   3.9003   0.0000   0.0000  1378.33   55.040  ?   ?       ?      ? 
1 1 1   15    7   18 o  1479.12   39.000   56.400   2.9658   56.400   2.9658   0.0000   0.0000  1479.12   39.000  ?   ?       ?      ? 
1 1 1   15    7   20 o  1835.88   35.138   88.904   3.0754   92.253   3.7488   82.012   5.3779  1891.63   38.546  1780.13   58.762 111.5029 70.27636 
1 1 1   15    7   22 o  895.764   34.638   20.958   1.4946   21.398   1.8302   20.077   2.5898  910.875   39.080  880.653   57.200 30.22156 69.27596 
1 1 1   15    7   24 o  1778.45   34.161   81.501   2.9534   80.967   3.6229   82.560   5.0990  1771.38   39.781  1785.52   55.546 -14.14282 68.32181 
1 1 1   15    7   26 o  1237.73   32.789   39.995   1.8064   40.392   2.0916   38.831   3.5835  1251.73   32.501  1223.72   56.958 28.01050 65.57813 
1 1 1   15    7   28 o  424.632   33.409   4.6111   0.6345   4.5539   0.7325   4.7831   1.2702  420.137   33.911  429.127   57.572 -8.990387 66.81746 
1 1 1   15    7   30 o  423.482   41.498   4.6418   0.9035   4.6418   0.9035   0.0000   0.0000  423.482   41.498  ?   ?       ?      ? 
1 1 1   15    7   32 o  648.226   35.121   10.815   1.1098   10.555   1.3603   11.332   1.9193  637.962   41.473  658.491   56.692 -20.52960 70.24252 
1 1 1   15    7   34 o  880.133   32.689   19.567   1.2940   18.936   1.4919   21.486   2.6005  855.095   33.935  905.170   55.880 -50.07477 65.37714 
1 1 1   15    7   36 o  869.623   36.693   20.229   1.5391   21.019   1.8987   18.716   2.6283  898.229   41.115  841.018   60.786 57.21204 73.38535 
1 1 1   15    7   38 o  1451.54   32.712   53.153   2.1496   50.896   2.4824   59.919   4.2980  1398.95   34.514  1504.14   55.579 -105.1918 65.42334 
1 1 1   15    7   40 o  162.330   33.507   0.7677   0.3067   0.9582   0.3589   0.2513   0.5908  188.131   38.404  136.528   54.919 51.60313 67.01424 
1 1 1   15    7   42 o  649.268   42.830   11.123   1.4297   11.123   1.4297   0.0000   0.0000  649.268   42.830  ?   ?       ?      ? 
1 1 1   15    7   44 o  297.415   39.436   2.5534   0.4915   2.6602   0.5618   2.2053   1.0144  318.550   34.304  276.280   71.022 42.26987 78.87231 
1 1 1   15    7   46 o  179.171   39.299   0.8660   0.3788   0.8669   0.4520   0.8637   0.6943  176.818   48.335  181.524   61.979 -4.705780 78.59788 
1 1 1   15    7   48 o  259.082   38.835   1.9013   0.4422   1.9328   0.5072   1.8016   0.9031  270.262   36.504  247.901   68.558 22.36142 77.67052 
1 1 1   15    7   50 o  296.047   42.439   2.6147   0.5913   2.8211   0.7207   2.1896   1.0342  323.393   43.344  268.701   72.977 54.69186 84.87864 
1 1 1   15    7   52 o  185.457   40.941   0.9634   0.3799   0.9634   0.3799   0.0000   0.0000  185.457   40.941  ?   ?       ?      ? 
1 1 1   15    7   54 o  245.088   47.742   1.8728   0.6220   2.0702   0.8991   1.6916   0.8614  257.596   67.190  232.581   67.844 25.01489 95.48469 
1 1 1   15    8    1 o  659.926   61.410   11.337   2.0836   0.0000   0.0000   11.337   2.0836  ?   ?   659.926   61.410      ?      ? 
1 1 1   15    8    3 o  859.292   43.323   19.106   1.8667   19.700   3.0103   18.735   2.3795  868.991   67.379  849.594   54.475 19.39783 86.64595 
1 1 1   15    8    5 o  649.141   36.440   11.002   1.1985   11.455   1.5861   10.398   1.8296  665.356   46.368  632.925   56.226 32.43048 72.87933 
1 1 1   15    8    7 o  126.924   28.769   0.3587   0.2142   0.2112   0.2721   0.5988   0.3473  103.436   38.405  150.413   42.845 -46.97694 57.53769 
1 1 1   15    8    9 o  1436.37   40.096   54.740   2.5576   56.084   2.9702   50.887   5.0305  1474.25   39.187  1398.49   69.966 75.76526 80.19231 
1 1 1   15    8   11 o  1006.85   38.916   26.779   1.7600   27.389   2.0545   25.096   3.4112  1030.52   38.778  983.187   67.484 47.33252 77.83178 
1 1 1   15    8   13 o  705.049   35.493   12.203   1.1721   11.376   1.3749   14.400   2.2420  664.180   40.265  745.918   58.462 -81.73785 70.98654 
1 1 1   15    8   15 o  804.183   55.054   16.719   2.2762   16.719   2.2762   0.0000   0.0000  804.183   55.054  ?   ?       ?      ? 
1 1 1   15    8   17 o  951.260   39.015   23.327   1.9081   23.327   1.9081   0.0000   0.0000  951.260   39.015  ?   ?       ?      ? 
1 1 1   15    8   19 o  2369.12   34.942  145.969   3.9505  147.718   4.7857  142.227   6.9992  2393.68   38.888  2344.57   58.065 49.10352 69.88441 
1 1 1   15    8   21 o  862.214   33.178   18.187   1.4002   16.148   1.6982   22.516   2.4747  791.128   41.751  933.300   51.575 -142.1710 66.35602 
1 1 1   15    8   23 o  793.075   31.507   15.526   1.1304   14.793   1.3025   17.762   2.2751  757.619   33.439  828.532   53.410 -70.91229 63.01405 
1 1 1   15    8   25 f  979.466   34.303   24.582   1.6380   24.105   2.0093   25.527   2.8280  966.328   40.445  992.604   55.416 -26.27673 68.60542 
1 1 1   15    8   27 o  626.836   32.375   9.8974   0.9126   9.6253   1.0528   10.720   1.8308  610.872   33.520  642.799   55.399 -31.92731 64.75100 
1 1 1   15    8   29 o  555.419   35.495   8.0397   0.9535   8.1141   1.1687   7.8917   1.6491  560.150   40.580  550.688   58.248 9.462708 70.98960 
1 1 1   15    8   31 o  675.624   34.604   11.527   1.1479   10.785   1.4070   13.003   1.9853  644.993   42.430  706.254   54.676 -61.26123 69.20815 
1 1 1   15    8   33 o  371.367   31.009   3.0436   0.5299   2.4623   0.6063   4.9239   1.0904  308.153   38.269  434.581   48.803 -126.4284 62.01804 
1 1 1   15    8   35 o  340.434   35.746   2.7732   0.5822   2.0606   0.7062   4.2852   1.0288  276.195   51.634  404.673   49.448 -128.4784 71.49232 
1 1 1   15    8   37 o  682.081   31.966   11.287   0.9988   10.325   1.1519   14.203   2.0051  630.161   35.555  734.002   53.134 -103.8412 63.93283 
1 1 1   15    8   39 o  1013.74   32.451   25.459   1.4980   23.788   1.7278   30.518   3.0063  955.437   35.175  1072.04   54.544 -116.5976 64.90267 
1 1 1   15    8   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    8   43 o  397.336   39.068   4.4188   0.6507   4.5324   0.7497   4.0720   1.3098  415.854   35.065  378.817   69.827 37.03690 78.13679 
1 1 1   15    8   45 o  683.828   37.120   12.492   1.2359   12.217   1.5162   13.036   2.1334  677.825   43.507  689.831   60.154 -12.00549 74.23909 
1 1 1   15    8   47 o  297.903   39.240   2.5139   0.5049   2.5642   0.5835   2.3639   1.0074  311.590   36.422  284.216   69.517 27.37372 78.48054 
1 1 1   15    8   49 o  186.566   35.398   1.0950   0.3607   1.3319   0.4114   0.3085   0.7496  224.168   35.697  148.963   61.138 75.20584 70.79678 
1 1 1   15    8   51 o  248.508   66.733   1.8571   0.8706   1.8571   0.8706   0.0000   0.0000  248.508   66.733  ?   ?       ?      ? 
1 1 1   15    8   53 o  342.693   39.642   3.2503   0.5823   3.1185   0.6674   3.6708   1.1919  339.656   38.217  345.731   69.465 -6.074585 79.28413 
1 1 1   15    8   55 o  194.509   41.332   0.9094   0.5302   2.1189   0.8093   0.0000   0.7018  262.526   61.108  126.491   55.669 136.0352 82.66344 
1 1 1   15    9    0 o  633.420   40.290   10.464   1.2999   0.0000   0.0000   10.464   1.2999  633.420   40.290  633.420   40.290 -0.000000 0.000000 
1 1 1   15    9    2 o  307.964   58.050   2.5422   0.8854   2.5422   0.8854   0.0000   0.0000  307.964   58.050  ?   ?       ?      ? 
1 1 1   15    9    4 o  1048.61   55.157   28.524   2.9736   28.524   2.9736   0.0000   0.0000  1048.61   55.157  ?   ?       ?      ? 
1 1 1   15    9    6 o  1018.39   40.042   26.779   2.0965   26.779   2.0965   0.0000   0.0000  1018.39   40.042  ?   ?       ?      ? 
1 1 1   15    9    8 o  148.549   35.570   0.5919   0.2681   0.5919   0.2681   0.0000   0.0000  148.549   35.570  ?   ?       ?      ? 
1 1 1   15    9   10 o  1698.58   39.695   74.423   3.4665   74.423   3.4665   0.0000   0.0000  1698.58   39.695  ?   ?       ?      ? 
1 1 1   15    9   12 o  751.926   39.003   14.578   1.5078   14.578   1.5078   0.0000   0.0000  751.926   39.003  ?   ?       ?      ? 
1 1 1   15    9   14 o  1949.23   55.943   98.247   5.6063   98.247   5.6063   0.0000   0.0000  1949.23   55.943  ?   ?       ?      ? 
1 1 1   15    9   16 o  2390.36   33.626  145.413   3.4449  143.757   3.9003  151.289   7.3464  2362.55   32.111  2418.17   59.091 -55.62378 67.25188 
1 1 1   15    9   18 o  1604.57   33.306   65.932   2.3160   65.479   2.6373   67.458   4.8421  1594.42   32.172  1614.71   58.327 -20.29272 66.61159 
1 1 1   15    9   20 o  597.491   35.985   9.3523   1.0177   9.5607   1.2281   8.8958   1.8181  608.895   39.230  586.088   60.337 22.80676 71.96931 
1 1 1   15    9   22 o  330.673   40.521   3.2992   0.5392   3.6456   0.6180   2.1941   1.1039  376.159   31.956  285.188   74.477 90.97070 81.04288 
1 1 1   15    9   24 o  1551.71   32.618   62.205   2.2531   62.185   2.6021   62.264   4.5041  1553.28   32.584  1550.15   56.515 3.121216 65.23580 
1 1 1   15    9   26 o  733.775   33.126   14.003   1.0801   14.079   1.2481   13.779   2.1553  738.904   32.855  728.646   57.532 10.25720 66.25254 
1 1 1   15    9   28 o  1747.97   34.344   77.879   2.9353   75.159   3.6001   83.271   5.0694  1705.13   41.067  1790.81   55.060 -85.68298 68.68872 
1 1 1   15    9   30 o  231.674   37.292   1.3881   0.4442   1.3881   0.4442   0.0000   0.0000  231.674   37.292  ?   ?       ?      ? 
1 1 1   15    9   32 o  1572.11   35.200   64.422   2.6895   64.459   3.3059   64.349   4.6252  1576.28   40.794  1567.95   57.375 8.329224 70.39928 
1 1 1   15    9   34 o  287.948   39.279   2.4400   0.4869   2.6687   0.5651   1.7812   0.9591  320.921   34.251  254.975   70.699 65.94600 78.55837 
1 1 1   15    9   36 o  399.933   35.687   3.9915   0.7017   3.5400   0.8558   4.9183   1.2259  367.944   45.238  431.922   55.207 -63.97748 71.37444 
1 1 1   15    9   38 o  455.498   34.902   5.4996   0.7110   5.5350   0.8255   5.3981   1.3992  461.152   34.820  449.845   60.500 11.30740 69.80413 
1 1 1   15    9   40 o  834.892   42.273   18.319   1.8145   18.319   1.8145   0.0000   0.0000  834.892   42.273  ?   ?       ?      ? 
1 1 1   15    9   42 o  292.248   38.829   2.2961   0.4972   2.2565   0.5741   2.4148   0.9943  293.110   38.099  291.385   67.669 1.725128 77.65730 
1 1 1   15    9   44 o  456.988   33.736   5.0726   0.7005   4.5574   0.8025   6.7216   1.4357  416.013   37.520  497.964   56.079 -81.95056 67.47253 
1 1 1   15    9   46 o  261.004   40.685   2.0292   0.5211   2.3304   0.6444   1.4600   0.8858  295.942   42.350  226.067   69.482 69.87476 81.37074 
1 1 1   15    9   48 o  377.214   44.254   4.5802   0.6672   5.0937   0.7705   3.0411   1.3339  439.361   34.108  315.066   81.672 124.2943 88.50837 
1 1 1   15    9   50 o  573.151   46.123   9.4724   1.3353   7.5953   1.8784   11.390   1.8987  509.101   71.766  637.201   57.956 -128.0998 92.24584 
1 1 1   15    9   52 o  296.584   43.318   3.1997   0.5892   3.8574   0.6843   1.3154   1.1584  379.827   35.043  213.341   79.232 166.4857 86.63514 
1 1 1   15    9   54 o  139.976   35.420   0.5111   0.3061   0.5688   0.3543   0.3415   0.6076  142.550   43.965  137.402   55.545 5.148376 70.83909 
1 1 1   15   10    1 o  2273.79   40.343  133.216   4.2255  132.037   4.9647  136.313   8.0489  2260.36   42.721  2287.21   68.448 -26.85645 80.68604 
1 1 1   15   10    3 o  377.848   47.022   3.8103   0.8576   3.8945   1.0823   3.6681   1.4059  387.617   54.309  368.078   76.778 19.53897 94.04379 
1 1 1   15   10    5 o  839.681   39.839   17.439   1.5386   16.483   1.7877   20.168   3.0213  798.760   43.533  880.602   66.735 -81.84265 79.67826 
1 1 1   15   10    7 o  2274.20   38.796  129.870   3.8570  126.390   4.3889  141.671   8.0824  2213.43   38.568  2334.98   67.327 -121.5457 77.59126 
1 1 1   15   10    9 o  1869.42   38.529   90.125   3.7031   90.125   3.7031   0.0000   0.0000  1869.42   38.529  ?   ?       ?      ? 
1 1 1   15   10   11 o  1279.38   38.773   42.203   2.5503   42.203   2.5503   0.0000   0.0000  1279.38   38.773  ?   ?       ?      ? 
1 1 1   15   10   13 o  1439.48   38.953   53.418   2.8828   53.418   2.8828   0.0000   0.0000  1439.48   38.953  ?   ?       ?      ? 
1 1 1   15   10   15 f  1008.53   39.344   26.222   2.0401   26.222   2.0401   0.0000   0.0000  1008.53   39.344  ?   ?       ?      ? 
1 1 1   15   10   17 o  331.589   39.290   3.0942   0.5142   3.2329   0.5788   2.5748   1.1198  354.295   31.778  308.883   71.868 45.41171 78.57995 
1 1 1   15   10   19 o  1172.19   33.206   34.869   1.6934   34.348   1.9278   36.627   3.5434  1154.71   32.473  1189.66   57.932 -34.95215 66.41282 
1 1 1   15   10   21 o  712.551   34.993   12.966   1.1993   12.690   1.4511   13.561   2.1306  701.377   40.240  723.726   57.261 -22.34979 69.98622 
1 1 1   15   10   23 o  1123.44   33.528   33.107   1.6472   33.562   1.8932   31.692   3.3416  1141.18   32.269  1105.69   58.782 35.48193 67.05673 
1 1 1   15   10   25 o  1181.60   35.283   36.576   2.0027   37.418   2.4477   34.870   3.4834  1203.92   39.546  1159.28   58.444 44.63232 70.56622 
1 1 1   15   10   27 o  1239.20   34.620   39.407   2.0881   38.656   2.5576   40.910   3.6164  1223.08   40.673  1255.32   56.034 -32.24048 69.23911 
1 1 1   15   10   29 o  476.267   33.586   5.8573   0.8224   5.8573   0.8224   0.0000   0.0000  476.267   33.586  ?   ?       ?      ? 
1 1 1   15   10   31 o  1316.31   35.931   46.151   2.2746   48.245   2.8021   42.104   3.8949  1364.38   39.947  1268.24   59.735 96.14124 71.86120 
1 1 1   15   10   33 o  902.154   34.709   21.957   1.3742   22.678   1.5914   19.841   2.7247  936.003   33.071  868.304   61.034 67.69910 69.41781 
1 1 1   15   10   35 o  802.297   35.250   17.449   1.2378   18.032   1.4323   15.729   2.4599  833.901   33.407  770.693   62.083 63.20813 70.50073 
1 1 1   15   10   37 o  495.781   33.704   6.1883   0.7550   5.9109   0.8705   7.0305   1.5166  476.641   35.522  514.920   57.288 -38.27905 67.40709 
1 1 1   15   10   39 o  759.950   37.844   15.794   1.3775   16.746   1.7009   13.981   2.3479  799.158   41.399  720.742   63.363 78.41571 75.68832 
1 1 1   15   10   41 o  484.556   39.489   6.5491   0.9066   7.0511   1.1164   5.5766   1.5538  517.358   41.971  451.753   66.902 65.60507 78.97711 
1 1 1   15   10   43 o  165.809   34.508   0.8149   0.3138   0.9758   0.3577   0.2771   0.6538  189.393   38.056  142.225   57.576 47.16809 69.01656 
1 1 1   15   10   45 o  790.000   35.314   16.660   1.2413   16.531   1.4341   17.044   2.4786  792.812   35.183  787.188   61.242 5.623657 70.62891 
1 1 1   15   10   47 o  317.846   36.947   2.6864   0.5187   2.5746   0.6020   3.0083   1.0219  311.807   37.551  323.885   63.641 -12.07797 73.89403 
1 1 1   15   10   49 o  521.942   40.381   7.6955   1.0132   7.9543   1.2493   7.1982   1.7320  542.641   44.781  501.243   67.210 41.39813 80.76218 
1 1 1   15   10   51 o  181.137   38.634   0.9730   0.3904   1.1185   0.4702   0.6506   0.7001  198.432   46.843  163.842   61.450 34.58998 77.26814 
1 1 1   15   10   53 o  567.331   36.950   8.9284   0.9431   8.7433   1.0955   9.4582   1.8534  568.744   37.465  565.919   63.700 2.824951 73.90012 
1 1 1   15   10   55 o  401.032   39.067   4.4636   0.7728   3.8923   0.9462   5.6077   1.3391  368.978   49.880  433.086   60.141 -64.10788 78.13461 
1 1 1   15   11    0 f  106.751   60.652   0.3824   0.5172   0.0000   0.0000   0.3824   0.5172  106.751   60.652  106.751   60.652 -0.000000 0.000000 
1 1 1   15   11    2 o  1039.56   40.720   28.321   1.9355   28.694   2.2765   27.350   3.6768  1054.10   42.006  1025.01   69.771 29.08545 81.44012 
1 1 1   15   11    4 o  478.684   42.719   6.1555   0.9106   6.3890   1.0630   5.5117   1.7650  497.478   41.563  459.891   74.648 37.58643 85.43884 
1 1 1   15   11    6 o  1270.49   39.304   41.843   1.9512   41.873   2.1495   41.703   4.6508  1274.70   32.799  1266.28   71.438 8.427002 78.60780 
1 1 1   15   11    8 f  1082.93   38.973   29.746   1.8591   29.201   2.1269   31.509   3.8268  1064.09   38.878  1101.77   67.558 -37.67554 77.94561 
1 1 1   15   11   10 o  1697.40   54.467   74.501   4.7532   74.501   4.7532   0.0000   0.0000  1697.40   54.467  ?   ?       ?      ? 
1 1 1   15   11   12 o  1168.08   39.018   35.175   2.3432   35.175   2.3432   0.0000   0.0000  1168.08   39.018  ?   ?       ?      ? 
1 1 1   15   11   14 f  887.886   55.694   20.382   2.5424   20.382   2.5424   0.0000   0.0000  887.886   55.694  ?   ?       ?      ? 
1 1 1   15   11   16 o  804.879   39.347   16.702   1.6282   16.702   1.6282   0.0000   0.0000  804.879   39.347  ?   ?       ?      ? 
1 1 1   15   11   18 o  1942.18   32.120   97.164   3.2073   97.164   3.2073   0.0000   0.0000  1942.18   32.120  ?   ?       ?      ? 
1 1 1   15   11   20 o  385.161   39.930   3.8266   0.7907   3.8266   0.7907   0.0000   0.0000  385.161   39.930  ?   ?       ?      ? 
1 1 1   15   11   22 o  683.323   35.755   12.789   1.0363   13.411   1.1877   10.806   2.1211  721.403   32.023  645.242   63.939 76.16119 71.50986 
1 1 1   15   11   24 o  1269.65   31.795   39.688   1.8123   37.771   2.0794   45.746   3.6964  1210.39   33.415  1328.91   54.103 -118.5253 63.58955 
1 1 1   15   11   26 o  932.896   40.712   22.605   1.9515   23.537   2.7655   21.680   2.7543  952.233   56.488  913.559   58.642 38.67352 81.42341 
1 1 1   15   11   28 o  419.359   34.421   4.5407   0.7421   4.5407   0.7421   0.0000   0.0000  419.359   34.421  ?   ?       ?      ? 
1 1 1   15   11   30 o  1384.73   33.137   49.698   2.0453   49.586   2.3632   50.031   4.0827  1385.23   33.182  1384.23   57.368 0.9959717 66.27361 
1 1 1   15   11   32 o  240.834   36.543   1.4036   0.3936   1.2223   0.4530   1.9630   0.7957  213.186   42.814  268.482   59.233 -55.29561 73.08575 
1 1 1   15   11   34 o  155.607   37.010   0.5543   0.3099   0.5138   0.3539   0.6875   0.6415  140.904   44.024  170.310   59.504 -29.40532 74.01936 
1 1 1   15   11   36 o  678.634   37.823   12.534   1.2187   13.281   1.4928   11.043   2.1106  713.494   40.694  643.774   63.767 69.71918 75.64532 
1 1 1   15   11   38 o  549.017   35.502   8.1702   0.8603   8.3889   0.9981   7.5382   1.6968  567.637   34.199  530.397   62.225 37.23938 71.00358 
1 1 1   15   11   40 o  441.813   35.572   5.1018   0.8080   5.1018   0.8080   0.0000   0.0000  441.813   35.572  ?   ?       ?      ? 
1 1 1   15   11   42 o  548.790   34.198   7.6731   0.8476   7.3068   0.9771   8.7865   1.7034  527.818   36.006  569.762   58.152 -41.94373 68.39664 
1 1 1   15   11   44 o  367.607   42.093   4.0601   0.6350   4.3668   0.7341   3.1477   1.2659  407.708   35.020  327.506   76.557 80.20212 84.18618 
1 1 1   15   11   46 f  648.120   38.006   11.277   1.1982   10.957   1.4670   11.918   2.0769  640.097   44.578  656.142   61.568 -16.04468 76.01150 
1 1 1   15   11   48 o  346.743   38.324   3.3153   0.5880   3.2802   0.6891   3.4090   1.1276  351.198   38.165  342.287   66.470 8.911713 76.64742 
1 1 1   15   11   50 o  100.280   40.458   0.1376   0.3216   0.1376   0.3216   0.0000   0.0000  100.280   40.458  ?   ?       ?      ? 
1 1 1   15   11   52 o  212.440   37.769   1.0382   0.3612   0.7754   0.4073   2.0067   0.7818  165.139   46.170  259.740   59.786 -94.60149 75.53809 
1 1 1   15   11   54 o  190.251   39.493   0.9470   0.3570   0.8250   0.4034   1.3881   0.7672  169.029   45.437  211.472   64.609 -42.44281 78.98660 
1 1 1   15   12    1 o  850.628   62.597   18.773   2.7376   18.773   2.7376   0.0000   0.0000  850.628   62.597  ?   ?       ?      ? 
1 1 1   15   12    3 o  1748.14   44.261   79.388   3.8397   79.735   4.8422   78.800   6.3020  1755.37   53.655  1740.92   70.409 14.45422 88.52282 
1 1 1   15   12    5 o  1111.08   45.072   32.157   2.4791   32.546   3.1223   31.493   4.0780  1121.59   54.146  1100.56   72.070 21.02576 90.14397 
1 1 1   15   12    7 o  849.010   38.410   18.586   1.6766   18.586   1.6766   0.0000   0.0000  849.010   38.410  ?   ?       ?      ? 
1 1 1   15   12    9 o  1555.53   54.775   62.567   4.3805   62.567   4.3805   0.0000   0.0000  1555.53   54.775  ?   ?       ?      ? 
1 1 1   15   12   11 o  685.746   32.571   12.112   1.1483   12.112   1.1483   0.0000   0.0000  685.746   32.571  ?   ?       ?      ? 
1 1 1   15   12   13 o  1407.35   37.718   50.281   2.4140   49.281   2.8065   53.124   4.7327  1382.60   39.482  1432.10   64.279 -49.50500 75.43622 
1 1 1   15   12   15 o  1178.04   42.402   35.772   2.5487   34.807   3.3821   37.041   3.8773  1160.13   56.703  1195.94   63.059 -35.81372 84.80341 
1 1 1   15   12   17 o  1773.21   36.696   81.036   3.0314   80.737   3.5918   81.777   5.6520  1769.51   39.481  1776.92   61.868 -7.412720 73.39212 
1 1 1   15   12   19 o  944.652   39.634   23.016   1.9249   23.016   1.9249   0.0000   0.0000  944.652   39.634  ?   ?       ?      ? 
1 1 1   15   12   21 o  879.411   39.678   19.953   1.7940   19.953   1.7940   0.0000   0.0000  879.411   39.678  ?   ?       ?      ? 
1 1 1   15   12   23 o  568.095   32.936   8.3193   0.9620   8.3193   0.9620   0.0000   0.0000  568.095   32.936  ?   ?       ?      ? 
1 1 1   15   12   25 o  505.116   40.928   6.5917   1.0629   6.5917   1.0629   0.0000   0.0000  505.116   40.928  ?   ?       ?      ? 
1 1 1   15   12   27 o  1744.74   32.758   78.545   2.9384   78.545   2.9384   0.0000   0.0000  1744.74   32.758  ?   ?       ?      ? 
1 1 1   15   12   29 o  1154.72   33.750   35.243   1.7178   35.854   1.9841   33.411   3.4328  1178.18   32.755  1131.27   59.021 46.91089 67.50083 
1 1 1   15   12   31 o  1135.26   35.171   33.403   1.9370   33.022   2.3695   34.171   3.3633  1128.09   40.854  1142.43   57.263 -14.33472 70.34243 
1 1 1   15   12   33 o  750.577   33.936   14.694   1.1262   14.677   1.2968   14.745   2.2711  752.712   33.511  748.441   59.022 4.271240 67.87201 
1 1 1   15   12   35 o  835.466   33.878   18.156   1.2618   18.021   1.4570   18.561   2.5239  833.224   34.011  837.707   58.602 -4.483032 67.75658 
1 1 1   15   12   37 o  695.075   34.989   12.741   1.0749   12.752   1.2389   12.709   2.1616  700.071   34.420  690.079   60.928 9.991516 69.97803 
1 1 1   15   12   39 o  405.381   44.695   4.3294   0.9315   4.3294   0.9315   0.0000   0.0000  405.381   44.695  ?   ?       ?      ? 
1 1 1   15   12   41 o  611.223   36.820   9.8815   1.0911   9.6652   1.3322   10.322   1.9017  604.999   42.829  617.448   59.905 -12.44873 73.64082 
1 1 1   15   12   43 o  506.184   37.799   7.2485   0.8272   7.5971   0.9583   6.2293   1.6384  538.123   34.637  474.244   67.196 63.87863 75.59806 
1 1 1   15   12   45 f  223.613   33.759   1.0144   0.3550   0.6077   0.4050   2.3634   0.7377  150.644   47.097  296.582   48.378 -145.9377 67.51772 
1 1 1   15   12   47 o  260.622   36.260   1.6919   0.4277   1.4226   0.4973   2.4579   0.8387  226.864   44.224  294.381   57.476 -67.51692 72.52071 
1 1 1   15   12   49 o  569.973   44.650   8.7934   1.3084   8.7934   1.3084   0.0000   0.0000  569.973   44.650  ?   ?       ?      ? 
1 1 1   15   12   51 o  235.497   40.079   1.4745   0.4310   1.3041   0.4973   1.9889   0.8640  214.392   46.456  256.602   65.322 -42.21037 80.15735 
1 1 1   15   12   53 o  424.977   35.855   4.5150   0.6990   3.8753   0.8021   6.5344   1.4251  376.012   41.492  473.941   58.488 -97.92963 71.71084 
1 1 1   15   13    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   13    2 o  1617.34   58.407   67.737   4.8567   67.737   4.8567   0.0000   0.0000  1617.34   58.407  ?   ?       ?      ? 
1 1 1   15   13    4 o  1672.88   53.831   72.376   4.6299   72.376   4.6299   0.0000   0.0000  1672.88   53.831  ?   ?       ?      ? 
1 1 1   15   13    6 o  1492.42   33.239   57.384   2.5504   57.384   2.5504   0.0000   0.0000  1492.42   33.239  ?   ?       ?      ? 
1 1 1   15   13    8 o  641.951   33.127   10.616   1.0933   10.616   1.0933   0.0000   0.0000  641.951   33.127  ?   ?       ?      ? 
1 1 1   15   13   10 o  1786.12   39.408   80.853   3.1952   79.069   3.7092   85.982   6.2911  1751.04   41.201  1821.20   67.190 -70.16296 78.81636 
1 1 1   15   13   12 o  366.418   43.114   3.7614   0.5871   3.8812   0.6479   3.2114   1.3878  388.188   32.463  344.647   79.884 43.54025 86.22808 
1 1 1   15   13   14 o  376.611   36.759   3.3619   0.6482   2.9864   0.7552   4.4132   1.2635  340.250   43.169  412.973   59.510 -72.72302 73.51815 
1 1 1   15   13   16 o  1150.63   36.731   35.083   1.7271   35.674   1.9359   32.779   3.8228  1176.85   31.996  1124.41   66.128 52.43726 73.46239 
1 1 1   15   13   18 o  1707.56   36.424   74.322   2.9113   72.875   3.4477   77.917   5.4345  1680.90   39.895  1734.22   60.952 -53.31592 72.84740 
1 1 1   15   13   20 o  1042.14   41.250   28.013   2.2051   26.291   2.9985   30.041   3.2541  1007.47   57.890  1076.80   58.780 -69.33154 82.50050 
1 1 1   15   13   22 o  690.673   37.276   12.626   1.2054   13.052   1.4478   11.662   2.1765  711.151   39.597  670.195   63.166 40.95685 74.55147 
1 1 1   15   13   24 o  701.503   40.287   12.710   1.4530   12.710   1.4530   0.0000   0.0000  701.503   40.287  ?   ?       ?      ? 
1 1 1   15   13   26 o  1426.21   57.350   52.854   4.2052   52.854   4.2052   0.0000   0.0000  1426.21   57.350  ?   ?       ?      ? 
1 1 1   15   13   28 o  1796.98   32.998   83.390   3.0486   83.390   3.0486   0.0000   0.0000  1796.98   32.998  ?   ?       ?      ? 
1 1 1   15   13   30 f  1253.58   34.546   42.414   1.8919   43.900   2.1874   38.003   3.7693  1303.11   32.649  1204.05   60.890 99.05835 69.09113 
1 1 1   15   13   32 f  1303.37   33.646   44.331   1.9408   44.348   2.2367   44.277   3.9044  1308.76   33.241  1297.99   58.508 10.76843 67.29193 
1 1 1   15   13   34 o  680.895   32.494   11.367   1.0005   10.612   1.1489   13.734   2.0349  639.421   34.949  722.369   54.791 -82.94763 64.98833 
1 1 1   15   13   36 o  396.368   46.444   5.0745   0.7931   6.4444   0.9797   2.4689   1.3511  497.163   38.328  295.572   84.611 201.5909 92.88715 
1 1 1   15   13   38 o  515.563   42.547   6.9782   1.1278   6.9782   1.1278   0.0000   0.0000  515.563   42.547  ?   ?       ?      ? 
1 1 1   15   13   40 o  915.983   35.954   23.018   1.4423   23.703   1.6697   21.005   2.8627  952.483   34.096  879.483   63.311 72.99976 71.90861 
1 1 1   15   13   42 o  293.956   33.253   2.1085   0.4609   1.8500   0.5393   2.8083   0.8873  264.876   39.604  323.036   53.428 -58.15955 66.50549 
1 1 1   15   13   44 o  406.057   46.179   5.6251   0.7317   6.5891   0.8524   2.9246   1.4266  501.221   33.076  310.893   86.233 190.3284 92.35897 
1 1 1   15   13   46 o  112.606   30.888   0.2185   0.2550   0.1511   0.3408   0.3042   0.3844  104.145   41.775  121.067   45.509 -16.92283 61.77519 
1 1 1   15   13   48 o  347.484   41.269   3.3857   0.6877   3.3308   0.8570   3.4849   1.1524  350.184   47.603  344.784   67.428 5.399963 82.53842 
1 1 1   15   13   50 o  454.353   41.020   6.0128   0.8864   6.4092   1.0958   5.2623   1.5078  485.563   43.895  423.144   69.310 62.41922 82.04095 
1 1 1   15   13   52 o  214.816   39.730   1.2052   0.3818   1.0724   0.4295   1.7059   0.8338  194.168   44.035  235.464   66.143 -41.29562 79.46075 
1 1 1   15   13   54 o  313.793   39.910   2.6419   0.5480   2.3685   0.6261   3.5370   1.1330  292.634   41.617  334.953   68.111 -42.31915 79.81908 
1 1 1   15   14    1 o  369.152   50.126   4.1275   0.8409   4.9508   1.0206   2.3879   1.4836  437.943   45.329  300.361   89.420 137.5817 100.2528 
1 1 1   15   14    3 o  645.490   39.307   10.166   1.2057   9.2832   1.4255   12.385   2.2598  599.658   46.237  691.321   63.580 -91.66321 78.61452 
1 1 1   15   14    5 o  710.249   36.038   13.001   1.3159   13.001   1.3159   0.0000   0.0000  710.249   36.038  ?   ?       ?      ? 
1 1 1   15   14    7 o  1394.03   40.379   48.993   2.5491   47.639   2.9516   52.967   5.0567  1359.03   42.244  1429.02   68.827 -69.99011 80.75705 
1 1 1   15   14    9 o  1308.89   47.648   44.738   3.1740   47.202   4.2728   41.705   4.7410  1350.30   61.548  1267.47   72.755 82.82886 95.29634 
1 1 1   15   14   11 o  1153.23   37.132   33.435   1.7307   32.881   1.9171   35.880   4.0245  1129.83   33.003  1176.63   66.528 -46.79504 74.26415 
1 1 1   15   14   13 o  2529.09   36.327  159.944   3.7395  156.701   4.1476  174.031   8.6443  2466.50   32.708  2591.69   64.875 -125.1965 72.65356 
1 1 1   15   14   15 o  1769.64   38.718   81.407   3.1091   81.903   3.6334   80.050   6.0084  1782.23   39.654  1757.06   66.512 25.16931 77.43575 
1 1 1   15   14   17 o  1433.41   37.168   55.134   2.1626   56.489   2.4241   49.850   4.7866  1480.81   31.841  1386.01   67.172 94.80432 74.33678 
1 1 1   15   14   19 o  1102.66   33.190   29.300   1.5757   27.706   1.7709   35.356   3.4523  1036.89   33.220  1168.43   57.469 -131.5400 66.37929 
1 1 1   15   14   21 o  1257.45   37.323   41.912   2.1814   43.339   2.6068   38.579   3.9840  1295.97   39.125  1218.94   63.572 77.02979 74.64697 
1 1 1   15   14   23 o  1565.92   36.591   64.262   2.7018   65.451   3.2480   61.592   4.8677  1592.12   39.680  1539.72   61.492 52.40430 73.18288 
1 1 1   15   14   25 o  1372.32   57.336   48.918   4.0453   48.918   4.0453   0.0000   0.0000  1372.32   57.336  ?   ?       ?      ? 
1 1 1   15   14   27 o  689.353   40.630   12.296   1.4400   12.296   1.4400   0.0000   0.0000  689.353   40.630  ?   ?       ?      ? 
1 1 1   15   14   29 o  1864.21   40.579   90.081   3.8892   90.081   3.8892   0.0000   0.0000  1864.21   40.579  ?   ?       ?      ? 
1 1 1   15   14   31 o  345.194   42.546   3.0976   0.7551   3.0976   0.7551   0.0000   0.0000  345.194   42.546  ?   ?       ?      ? 
1 1 1   15   14   33 o  396.031   34.732   4.0685   0.7072   4.0685   0.7072   0.0000   0.0000  396.031   34.732  ?   ?       ?      ? 
1 1 1   15   14   35 o  602.325   33.340   9.1200   0.9003   8.7288   1.0342   10.345   1.8298  579.521   34.711  625.129   56.933 -45.60846 66.67990 
1 1 1   15   14   37 o  795.835   37.018   16.914   1.4103   17.171   1.7174   16.381   2.4716  809.672   41.256  781.998   61.475 27.67383 74.03590 
1 1 1   15   14   39 o  147.322   36.128   0.4944   0.2760   0.4860   0.3034   0.5347   0.6645  135.196   40.477  159.448   59.854 -24.25172 72.25606 
1 1 1   15   14   41 o  208.314   42.436   1.0528   0.4437   0.8180   0.5209   1.6734   0.8469  173.863   53.260  242.766   66.080 -68.90367 84.87142 
1 1 1   15   14   43 o  415.219   35.853   4.3480   0.6562   4.0924   0.7460   5.2226   1.3801  394.247   36.802  436.191   61.542 -41.94388 71.70621 
1 1 1   15   14   45 o  235.565   39.494   1.4454   0.4093   1.3423   0.4633   1.8115   0.8734  221.197   42.281  249.933   66.719 -28.73618 78.98824 
1 1 1   15   14   47 o  458.727   41.939   6.1792   0.7925   6.4585   0.9142   5.3347   1.5896  493.747   36.015  423.707   75.752 70.04044 83.87733 
1 1 1   15   14   49 o  255.835   38.607   1.7529   0.5078   1.7529   0.5078   0.0000   0.0000  255.835   38.607  ?   ?       ?      ? 
1 1 1   15   14   51 o  255.633   40.349   2.3609   0.5295   2.9725   0.6183   0.6776   1.0257  332.829   36.131  178.437   72.157 154.3920 80.69702 
1 1 1   15   14   53 o  135.784   34.442   0.3943   0.2714   0.2956   0.3119   0.7024   0.5513  112.413   41.224  159.155   55.186 -46.74146 68.88350 
1 1 1   15   15    0 o  1251.47   45.774   41.314   2.8096   38.602   4.5835   42.947   3.5560  1215.57   73.969  1287.37   53.942 0.000000 0.000000 
1 1 1   15   15    2 o  578.220   28.833   8.8017   0.8314   9.4985   1.0798   7.7874   1.3029  607.166   34.593  549.274   46.139 57.89178 57.66643 
1 1 1   15   15    4 o  515.623   27.914   6.7702   0.7271   6.4285   0.9344   7.2947   1.1576  499.447   36.389  531.799   42.340 -32.35141 55.82870 
1 1 1   15   15    6 o  613.278   30.576   9.6820   0.9612   8.6836   1.3290   10.777   1.3919  580.130   44.559  646.426   41.882 -66.29596 61.15207 
1 1 1   15   15    8 o  370.115   43.131   3.4896   0.6972   3.3701   0.8037   3.8532   1.4018  361.451   43.249  378.780   74.636 -17.32938 86.26162 
1 1 1   15   15   10 o  775.172   44.395   16.784   1.4835   18.019   1.7246   13.271   2.9090  835.980   40.125  714.365   79.206 121.6146 88.79019 
1 1 1   15   15   12 f  586.761   42.101   9.2799   1.0872   9.6628   1.2630   8.1843   2.1364  612.169   40.129  561.354   74.024 50.81531 84.20203 
1 1 1   15   15   14 o  1183.64   42.553   39.223   2.1852   42.346   2.5521   30.644   4.2300  1281.58   38.733  1085.70   75.781 195.8815 85.10621 
1 1 1   15   15   16 f  1192.87   38.357   36.581   2.0810   36.326   2.4271   37.287   4.0434  1186.78   39.778  1198.97   65.595 -12.18860 76.71374 
1 1 1   15   15   18 o  237.482   41.233   1.7286   0.4916   2.0759   0.5665   0.6699   0.9892  283.691   38.844  191.274   72.744 92.41737 82.46545 
1 1 1   15   15   20 o  595.986   37.564   9.1505   1.0382   9.0927   1.2256   9.2974   1.9534  593.554   40.161  598.419   63.493 -4.864563 75.12836 
1 1 1   15   15   22 o  2305.51   34.941  139.251   3.4252  140.610   3.8869  134.527   7.2456  2335.40   32.373  2275.62   61.931 59.78101 69.88129 
1 1 1   15   15   24 o  1010.26   40.296   26.370   2.0930   26.370   2.0930   0.0000   0.0000  1010.26   40.296  ?   ?       ?      ? 
1 1 1   15   15   26 o  2635.55   36.030  181.109   4.5200  182.418   5.4588  178.254   8.0612  2655.75   39.980  2615.35   59.951 40.40674 72.05939 
1 1 1   15   15   28 o  900.457   41.782   21.206   1.9325   21.484   2.6864   20.909   2.7819  906.929   57.614  893.985   60.526 12.94379 83.56300 
1 1 1   15   15   30 o  798.571   41.943   16.725   1.7147   14.740   2.3829   18.857   2.4693  748.726   61.903  848.416   56.611 -99.69049 83.88562 
1 1 1   15   15   32 o  873.731   41.220   19.865   1.8516   19.865   1.8516   0.0000   0.0000  873.731   41.220  ?   ?       ?      ? 
1 1 1   15   15   34 o  167.198   43.125   0.7576   0.3731   0.7576   0.3731   0.0000   0.0000  167.198   43.125  ?   ?       ?      ? 
1 1 1   15   15   36 o  111.456   47.634   0.0000   0.4840   0.0000   0.4840   0.0000   0.0000  111.456   47.634  ?   ?       ?      ? 
1 1 1   15   15   38 o  307.105   37.482   2.4678   0.5918   2.4678   0.5918   0.0000   0.0000  307.105   37.482  ?   ?       ?      ? 
1 1 1   15   15   40 o  524.388   35.693   7.2738   0.8309   7.2091   0.9582   7.4700   1.6686  524.610   35.526  524.166   61.917 0.4442139 71.38547 
1 1 1   15   15   42 o  677.227   34.634   11.532   1.0451   10.831   1.1934   13.839   2.1644  641.899   36.161  712.556   59.080 -70.65717 69.26827 
1 1 1   15   15   44 o  215.725   39.869   1.4756   0.4269   1.6861   0.4755   0.6002   0.9696  252.846   36.577  178.603   70.854 74.24341 79.73808 
1 1 1   15   15   46 o  726.004   36.782   13.833   1.3096   12.669   1.5997   16.199   2.2806  686.412   45.329  765.595   57.940 -79.18262 73.56461 
1 1 1   15   15   48 f  506.634   36.281   6.8285   0.9450   6.8285   0.9450   0.0000   0.0000  506.634   36.281  ?   ?       ?      ? 
1 1 1   15   15   50 o  344.763   40.995   3.3314   0.6713   3.1520   0.8210   3.6935   1.1662  338.450   47.181  351.076   67.054 -12.62601 81.98940 
1 1 1   15   15   52 o  397.121   34.201   3.5890   0.6221   2.6786   0.7095   6.6145   1.2934  311.350   44.324  482.892   52.099 -171.5414 68.40228 
1 1 1   15   16    1 o  1848.76   28.126   88.012   2.6370   87.458   3.4512   88.788   4.0877  1842.22   36.439  1855.30   42.855 -13.07288 56.25207 
1 1 1   15   16    3 o  1707.13   27.991   75.141   2.4146   75.166   3.1385   75.104   3.7798  1707.94   35.742  1706.32   43.086 1.622192 55.98147 
1 1 1   15   16    5 o  1101.22   28.529   31.252   1.5916   31.172   2.0797   31.364   2.4728  1099.81   36.780  1102.64   43.620 -2.828369 57.05703 
1 1 1   15   16    7 o  1720.90   42.167   77.525   3.2231   78.438   3.7301   74.836   6.4034  1744.01   41.601  1697.79   73.359 46.21753 84.33410 
1 1 1   15   16    9 o  1016.79   39.849   27.549   1.9191   24.563   3.3621   28.991   2.3373  973.426   67.180  1060.16   42.881 -86.73535 79.69860 
1 1 1   15   16   11 f  1583.78   29.834   64.533   2.4255   61.815   3.3185   67.650   3.5538  1548.14   41.693  1619.43   42.684 -71.29089 59.66755 
1 1 1   15   16   13 o  830.440   30.162   17.925   1.2775   19.287   1.7461   16.356   1.8740  864.862   39.270  796.017   45.790 68.84497 60.32322 
1 1 1   15   16   15 o  3304.96   39.286  284.353   5.8595  286.288   6.8283  278.950   11.412  3331.61   39.865  3278.31   67.707 53.29663 78.57141 
1 1 1   15   16   17 o  849.946   40.543   19.581   1.5313   20.557   1.7918   16.939   2.9494  892.716   39.039  807.175   71.070 85.54041 81.08692 
1 1 1   15   16   19 o  1566.83   38.133   64.285   2.7347   65.184   3.2189   61.952   5.1851  1589.35   39.392  1544.31   65.306 45.04224 76.26678 
1 1 1   15   16   21 o  2207.27   41.909  125.536   4.7361  116.776   6.3529  136.495   7.1058  2121.57   58.243  2292.97   60.276 -171.4014 83.81786 
1 1 1   15   16   23 o  1210.31   56.928   38.034   3.5424   38.034   3.5424   0.0000   0.0000  1210.31   56.928  ?   ?       ?      ? 
1 1 1   15   16   25 o  1555.09   37.538   64.664   2.7202   67.478   3.2663   58.296   4.9143  1615.54   39.325  1494.63   63.952 120.9141 75.07555 
1 1 1   15   16   27 o  831.180   33.838   17.607   1.2304   17.305   1.4040   18.607   2.5548  818.368   33.368  843.993   58.877 -25.62506 67.67567 
1 1 1   15   16   29 o  473.303   36.302   5.9203   0.7384   5.9844   0.8422   5.7070   1.5352  480.894   34.064  465.712   64.117 15.18173 72.60421 
1 1 1   15   16   31 o  1359.17   41.702   48.675   2.9107   49.806   4.0515   47.469   4.1842  1376.42   57.253  1341.92   60.649 34.50195 83.40390 
1 1 1   15   16   33 o  733.246   37.531   14.497   1.3064   15.136   1.5921   13.180   2.2856  762.099   40.634  704.393   63.112 57.70624 75.06147 
1 1 1   15   16   35 o  999.562   36.082   25.994   1.7530   25.257   2.1412   27.491   3.0527  982.348   42.395  1016.78   58.398 -34.42639 72.16380 
1 1 1   15   16   37 o  415.142   35.888   4.4996   0.7660   4.4996   0.7660   0.0000   0.0000  415.142   35.888  ?   ?       ?      ? 
1 1 1   15   16   39 o   95.280   36.956   0.1535   0.2588   0.1535   0.2588   0.0000   0.0000   95.280   36.956  ?   ?       ?      ? 
1 1 1   15   16   41 o  144.060   47.522   0.5340   0.4085   0.5340   0.4085   0.0000   0.0000  144.060   47.522  ?   ?       ?      ? 
1 1 1   15   16   43 o  457.793   38.947   5.8622   0.7568   6.0153   0.8650   5.3624   1.5627  478.222   35.183  437.365   69.495 40.85703 77.89388 
1 1 1   15   16   45 o  465.963   38.462   5.9514   0.7524   5.9695   0.8513   5.8866   1.6088  475.775   34.801  456.151   68.601 19.62418 76.92356 
1 1 1   15   16   47 o  375.511   44.985   3.8092   0.8685   3.8092   0.8685   0.0000   0.0000  375.511   44.985  ?   ?       ?      ? 
1 1 1   15   16   49 o  501.379   37.397   6.8326   0.8262   6.6724   0.9483   7.3374   1.6832  499.389   36.933  503.369   65.038 -3.979858 74.79317 
1 1 1   15   16   51 o  264.627   40.954   2.0332   0.4869   2.0193   0.5615   2.0754   0.9773  272.543   40.075  256.711   71.435 15.83142 81.90802 
1 1 1   15   16   53 o  242.415   41.372   1.4644   0.4299   1.2135   0.4788   2.5091   0.9770  204.314   46.611  280.516   68.366 -76.20200 82.74372 
1 1 1   15   17    0 o  707.922   48.720   13.774   1.6146   11.761   2.6621   14.945   2.0309  659.798   81.869  756.045   52.840 0.000000 0.000000 
1 1 1   15   17    2 o  1579.34   27.955   64.011   2.2404   62.544   2.9258   66.091   3.4836  1557.90   36.529  1600.79   42.327 -42.88757 55.91066 
1 1 1   15   17    4 o  924.589   28.657   21.930   1.3493   21.269   1.7778   22.830   2.0724  908.382   38.066  940.796   42.846 -32.41437 57.31350 
1 1 1   15   17    6 f  1543.56   28.578   61.336   2.2347   60.870   2.9162   61.999   3.4785  1536.86   36.907  1550.26   43.643 -13.40356 57.15631 
1 1 1   15   17    8 o  1195.17   39.446   37.070   2.2397   36.579   4.0133   37.291   2.6991  1188.07   65.705  1202.28   43.666 -14.21521 78.89130 
1 1 1   15   17   10 o  2144.52   30.015  118.473   3.3052  115.589   4.5419  121.720   4.8189  2116.94   41.731  2172.10   43.152 -55.16138 60.02940 
1 1 1   15   17   12 o  1770.30   29.726   80.724   2.7006   78.904   3.6912   82.819   3.9614  1749.02   41.050  1791.59   43.007 -42.57043 59.45293 
1 1 1   15   17   14 o  2595.70   29.610  174.021   3.9377  176.043   5.3675  171.665   5.7946  2612.47   39.962  2578.92   43.703 33.55200 59.21936 
1 1 1   15   17   16 o  1995.13   29.385  102.642   3.0061  101.604   4.0950  103.854   4.4269  1984.47   40.137  2005.79   42.928 -21.32178 58.76925 
1 1 1   15   17   18 o  347.096   44.572   3.4201   0.6623   3.6590   0.7693   2.7363   1.3015  376.544   39.741  317.649   79.796 58.89514 89.14472 
1 1 1   15   17   20 o  864.387   65.008   19.427   2.8890   0.0000   0.0000   19.427   2.8890  ?   ?   864.387   65.008      ?      ? 
1 1 1   15   17   22 o  268.747   43.403   1.8674   0.5997   1.8674   0.5997   0.0000   0.0000  268.747   43.403  ?   ?       ?      ? 
1 1 1   15   17   24 f  673.589   37.178   11.713   1.1756   11.617   1.3992   11.945   2.1679  670.249   40.603  676.929   62.291 -6.680176 74.35569 
1 1 1   15   17   26 o  697.345   37.113   12.591   1.2213   12.493   1.4595   12.821   2.2303  694.509   40.875  700.180   61.957 -5.671021 74.22535 
1 1 1   15   17   28 o  1151.47   37.768   35.635   2.0334   37.231   2.4491   32.094   3.6480  1198.20   39.756  1104.75   64.228 93.45325 75.53653 
1 1 1   15   17   30 o  646.079   37.670   11.128   1.1430   11.435   1.3745   10.440   2.0578  663.357   40.301  628.801   63.654 34.55536 75.33936 
1 1 1   15   17   32 o  337.663   32.525   2.5138   0.4981   2.0653   0.5654   4.0693   1.0530  281.723   39.037  393.603   52.034 -111.8807 65.04931 
1 1 1   15   17   34 o  592.713   45.886   11.341   1.0157   12.943   1.1712   6.4815   2.0398  706.005   32.266  479.421   85.913 226.5841 91.77243 
1 1 1   15   17   36 o  432.126   63.753   5.0273   1.4164   5.0273   1.4164   0.0000   0.0000  432.126   63.753  ?   ?       ?      ? 
1 1 1   15   17   38 o  726.173   36.486   13.337   1.2893   11.974   1.5561   16.321   2.3024  673.152   44.963  779.194   57.472 -106.0421 72.97105 
1 1 1   15   17   40 o  513.488   62.297   7.2015   1.6446   7.2015   1.6446   0.0000   0.0000  513.488   62.297  ?   ?       ?      ? 
1 1 1   15   17   42 o  113.512   41.446   0.2829   0.3148   0.2829   0.3148   0.0000   0.0000  113.512   41.446  ?   ?       ?      ? 
1 1 1   15   17   44 o  285.760   37.340   2.1592   0.5486   2.1592   0.5486   0.0000   0.0000  285.760   37.340  ?   ?       ?      ? 
1 1 1   15   17   46 o  434.008   52.348   5.5531   1.0893   3.0225   1.4702   8.6331   1.6220  309.419   88.154  558.598   56.479 -249.1791 104.6951 
1 1 1   15   17   48 o  266.543   38.397   1.7595   0.4438   1.5061   0.5027   2.6557   0.9453  232.598   43.637  300.488   63.190 -67.88962 76.79310 
1 1 1   15   17   50 o  262.511   43.593   1.8093   0.5264   1.4822   0.6107   2.7548   1.0382  225.445   53.491  299.578   68.849 -74.13284 87.18587 
1 1 1   15   17   52 o  130.746   32.828   0.4573   0.2708   0.5698   0.3023   0.0000   0.6095  142.117   39.793  119.374   52.224 22.74348 65.65675 
1 1 1   15   18    1 o  1077.05   28.060   29.774   1.5348   29.082   2.0084   30.745   2.3797  1062.30   36.773  1091.80   42.395 -29.49487 56.12087 
1 1 1   15   18    3 o  2759.88   28.552  196.540   4.0130  197.438   5.3285  195.364   6.0999  2767.75   37.446  2752.00   43.113 15.75049 57.10455 
1 1 1   15   18    5 f  268.595   31.161   1.8531   0.4178   1.5999   0.5495   2.2000   0.6432  245.151   45.265  292.038   42.837 -46.88680 62.32103 
1 1 1   15   18    7 o  1401.80   49.512   51.062   3.5520   51.809   4.8191   50.174   5.2557  1413.71   66.303  1389.89   73.549 23.81775 99.02328 
1 1 1   15   18    9 o  712.469   30.463   13.075   1.1146   12.678   1.5324   13.522   1.6241  701.030   42.518  723.908   43.638 -22.87866 60.92677 
1 1 1   15   18   11 o  977.649   30.185   24.653   1.5149   24.495   2.0825   24.830   2.2077  974.424   41.569  980.875   43.778 -6.450134 60.36925 
1 1 1   15   18   13 o  1370.58   29.773   48.377   2.0939   47.009   2.8583   49.962   3.0762  1349.81   41.188  1391.34   43.005 -41.52258 59.54670 
1 1 1   15   18   15 o  1839.56   29.549   87.238   2.7876   85.976   3.7971   88.714   4.1056  1825.38   40.460  1853.75   43.078 -28.37341 59.09893 
1 1 1   15   18   17 o  1357.90   29.452   47.419   2.0515   44.890   2.7898   50.399   3.0274  1318.68   41.150  1397.11   42.147 -78.43201 58.90363 
1 1 1   15   18   19 o  349.698   75.435   3.3115   1.3164   0.0000   0.0000   3.3115   1.3164  ?   ?   349.698   75.435      ?      ? 
1 1 1   15   18   21 o  1300.96   40.006   43.722   2.6759   43.722   2.6759   0.0000   0.0000  1300.96   40.006  ?   ?       ?      ? 
1 1 1   15   18   23 o  420.024   48.408   5.5893   0.8393   6.6513   0.9981   3.0268   1.5504  507.346   38.266  332.701   88.932 174.6459 96.81502 
1 1 1   15   18   25 o  716.472   36.727   12.920   1.2469   12.281   1.4811   14.475   2.3106  688.523   41.840  744.422   60.373 -55.89972 73.45415 
1 1 1   15   18   27 o  432.742   49.439   6.2265   0.8770   7.7730   1.0556   2.7801   1.5757  547.804   37.479  317.681   91.500 230.1230 98.87836 
1 1 1   15   18   29 o  857.074   38.551   19.967   1.5285   21.039   1.8333   17.520   2.7684  900.096   39.616  814.052   66.146 86.04407 77.10149 
1 1 1   15   18   31 o  202.958   41.960   1.1527   0.4569   1.3091   0.5441   0.7788   0.8415  219.375   49.426  186.540   67.821 32.83583 83.92010 
1 1 1   15   18   33 f  896.445   37.194   22.329   1.4119   23.333   1.6178   19.118   2.8921  947.849   33.199  845.042   66.568 102.8066 74.38747 
1 1 1   15   18   35 o  1128.19   60.057   34.042   3.4835   34.042   3.4835   0.0000   0.0000  1128.19   60.057  ?   ?       ?      ? 
1 1 1   15   18   37 o  1376.10   34.401   49.285   2.0890   48.411   2.3957   52.059   4.2671  1361.73   34.219  1390.47   59.690 -28.74280 68.80282 
1 1 1   15   18   39 o  377.244   41.602   3.9639   0.7223   4.0717   0.8769   3.7363   1.2739  392.256   43.480  362.232   70.940 30.02435 83.20471 
1 1 1   15   18   41 o  317.982   42.166   2.5884   0.6198   2.1939   0.7341   3.5671   1.1563  281.336   52.689  354.629   65.845 -73.29248 84.33107 
1 1 1   15   18   43 o  170.812   51.140   0.8019   0.4842   0.8019   0.4842   0.0000   0.0000  170.812   51.140  ?   ?       ?      ? 
1 1 1   15   18   45 o  301.239   69.872   2.6774   1.0612   2.6774   1.0612   0.0000   0.0000  301.239   69.872  ?   ?       ?      ? 
1 1 1   15   18   47 o  139.462   41.711   0.5319   0.3223   0.5319   0.3223   0.0000   0.0000  139.462   41.711  ?   ?       ?      ? 
1 1 1   15   18   49 o  466.956   49.858   6.9678   0.9776   7.5581   1.1550   5.4763   1.8360  527.075   42.621  406.838   90.149 120.2362 99.71652 
1 1 1   15   18   51 o  513.859   42.586   8.0074   0.9066   8.2847   1.0354   7.0966   1.8768  553.744   36.369  473.974   77.017 79.77029 85.17252 
1 1 1   15   19    0 o  898.902   44.695   20.770   1.9746   19.721   2.4677   22.636   3.2925  869.310   55.740  928.493   69.882 -0.000000 0.000000 
1 1 1   15   19    2 o  2320.45   28.446  138.486   3.3644  136.198   4.4575  141.515   5.1289  2298.67   37.718  2342.23   42.591 -43.56250 56.89190 
1 1 1   15   19    4 o  668.985   27.208   11.597   0.9309   10.584   1.3438   12.532   1.2909  640.632   40.799  697.338   36.006 -56.70526 54.41516 
1 1 1   15   19    6 o  2527.39   40.670  163.630   4.3681  162.366   4.9339  168.213   9.3942  2509.60   38.240  2545.19   71.791 -35.59229 81.34011 
1 1 1   15   19    8 o  580.579   32.147   8.8328   0.9405   10.726   1.3209   6.8861   1.3394  644.919   39.837  516.239   50.465 128.6806 64.29399 
1 1 1   15   19   10 o  2651.95   30.293  181.594   4.1231  183.425   5.6829  179.559   5.9912  2666.39   41.455  2637.50   44.182 28.89282 60.58558 
1 1 1   15   19   12 o  281.539   34.252   2.1251   0.4751   2.5031   0.6535   1.7014   0.6919  311.475   40.811  251.602   55.021 59.87302 68.50462 
1 1 1   15   19   14 f  2196.79   29.974  125.152   3.3668  131.652   4.6064  117.697   4.9332  2258.89   39.664  2134.70   44.949 124.1873 59.94705 
1 1 1   15   19   16 o  1083.96   29.757   30.441   1.6503   31.588   2.2531   29.114   2.4241  1106.33   39.612  1061.58   44.415 44.74854 59.51314 
1 1 1   15   19   18 o  768.751   44.321   15.345   1.7200   15.297   2.2295   15.416   2.7033  768.037   56.462  769.465   68.334 -1.427795 88.64274 
1 1 1   15   19   20 o  1458.30   33.872   53.131   2.4142   49.249   2.9385   61.193   4.2346  1380.50   41.402  1536.09   53.620 -155.5952 67.74374 
1 1 1   15   19   22 o  629.537   29.833   10.255   0.9634   10.295   1.3200   10.209   1.4092  630.993   40.689  628.082   43.640 2.910889 59.66578 
1 1 1   15   19   24 o  928.158   40.613   23.881   1.6939   25.709   2.0109   19.415   3.1430  996.711   39.242  859.605   71.118 137.1064 81.22575 
1 1 1   15   19   26 o  483.326   38.574   6.0367   0.8699   5.9499   1.0296   6.2532   1.6258  478.874   41.820  487.777   64.829 -8.902802 77.14758 
1 1 1   15   19   28 o  1028.67   37.297   27.570   1.8077   27.399   2.1595   27.970   3.3047  1026.95   40.901  1030.40   62.381 -3.451660 74.59436 
1 1 1   15   19   30 f  857.979   42.938   19.326   1.8808   16.375   2.5599   22.787   2.7725  786.242   63.328  929.715   58.004 -143.4725 85.87691 
1 1 1   15   19   32 o  928.638   36.346   21.929   1.6254   20.596   1.9542   24.921   2.9282  887.746   42.815  969.529   58.745 -81.78278 72.69207 
1 1 1   15   19   34 o  622.894   60.119   10.365   1.9253   10.365   1.9253   0.0000   0.0000  622.894   60.119  ?   ?       ?      ? 
1 1 1   15   19   36 o  208.236   41.884   0.9133   0.4463   0.5334   0.5193   1.9856   0.8725  150.598   53.459  265.875   64.492 -115.2766 83.76814 
1 1 1   15   19   38 o  633.130   34.681   10.091   0.9706   9.5596   1.1057   11.875   2.0266  604.070   35.601  662.189   59.529 -58.11926 69.36226 
1 1 1   15   19   40 o  586.890   37.640   8.9941   1.0659   8.4679   1.2855   10.152   1.9068  564.488   44.294  609.292   60.870 -44.80420 75.28053 
1 1 1   15   19   42 o  165.592   39.750   0.5972   0.3147   0.5389   0.3415   0.9251   0.8101  141.645   43.067  189.538   66.825 -47.89218 79.50043 
1 1 1   15   19   44 o  221.150   41.557   1.5434   0.4865   1.8198   0.5558   0.6376   1.0063  261.197   41.391  181.103   72.075 80.09386 83.11401 
1 1 1   15   19   46 o  576.063   65.565   9.4777   1.9418   9.4777   1.9418   0.0000   0.0000  576.063   65.565  ?   ?       ?      ? 
1 1 1   15   19   48 o  359.821   37.365   3.4704   0.6912   3.4704   0.6912   0.0000   0.0000  359.821   37.365  ?   ?       ?      ? 
1 1 1   15   19   50 o  125.602   42.548   0.4125   0.3272   0.4125   0.3272   0.0000   0.0000  125.602   42.548  ?   ?       ?      ? 
1 1 1   15   19   52 o  274.130   43.802   2.3418   0.5167   2.3805   0.5803   2.1934   1.1354  294.872   38.278  253.387   78.798 41.48448 87.60321 
1 1 1   15   20    1 o  1690.42   28.400   73.882   2.4372   74.938   3.2157   72.455   3.7362  1705.11   36.682  1675.74   43.366 29.37378 56.79947 
1 1 1   15   20    3 o  1269.46   29.053   41.685   1.8819   42.606   2.5276   40.539   2.8190  1285.53   38.243  1253.38   43.746 32.14893 58.10517 
1 1 1   15   20    5 o  854.507   41.559   18.881   1.5208   18.864   1.7261   18.941   3.2158  855.289   39.253  853.725   73.266 1.563782 83.11890 
1 1 1   15   20    7 o  801.081   33.309   16.758   1.3550   15.034   2.0131   18.186   1.8321  762.653   51.342  839.510   42.448 -76.85651 66.61703 
1 1 1   15   20    9 o  1008.64   30.820   26.243   1.5977   25.383   2.2285   27.151   2.2917  991.646   43.711  1025.63   43.461 -33.98444 61.63985 
1 1 1   15   20   11 o  1249.65   30.361   40.306   1.9479   40.224   2.6837   40.397   2.8318  1248.44   41.812  1250.86   44.034 -2.416016 60.72233 
1 1 1   15   20   13 o  677.984   30.308   11.814   1.0539   10.844   1.4378   12.939   1.5494  648.049   43.153  707.920   42.570 -59.87109 60.61665 
1 1 1   15   20   15 o  2583.26   35.230  171.785   4.5540  176.284   7.3800  169.018   5.7873  2608.66   55.026  2557.86   44.008 50.79980 70.45979 
1 1 1   15   20   17 o  867.955   56.246   19.538   2.5099   19.538   2.5099   0.0000   0.0000  867.955   56.246  ?   ?       ?      ? 
1 1 1   15   20   19 o  1508.23   40.336   59.063   3.1274   60.194   4.4393   57.948   4.4066  1522.65   56.708  1493.81   57.377 28.84497 80.67148 
1 1 1   15   20   21 o  2097.77   29.528  114.115   3.1713  117.441   4.3302  110.267   4.6576  2131.50   39.514  2064.03   43.891 67.47095 59.05701 
1 1 1   15   20   23 o  1334.88   29.514   46.089   2.0219   45.130   2.7655   47.189   2.9635  1320.22   40.743  1349.53   42.711 -29.31067 59.02793 
1 1 1   15   20   25 o  594.840   30.208   9.1860   0.9221   9.2269   1.2677   9.1400   1.3437  596.427   41.343  593.252   44.056 3.174683 60.41625 
1 1 1   15   20   27 o  225.809   42.824   1.3726   0.4761   1.3781   0.5641   1.3592   0.8875  225.475   49.974  226.143   69.558 -0.6671295 85.64864 
1 1 1   15   20   29 o  390.284   46.379   4.0144   0.9036   3.5467   1.1791   4.6799   1.4064  360.470   66.059  420.097   65.117 -59.62704 92.75795 
1 1 1   15   20   31 o  549.220   37.471   7.5095   0.9785   6.8645   1.1582   9.1173   1.8286  512.385   43.967  586.054   60.690 -73.66919 74.94262 
1 1 1   15   20   33 o  298.605   69.637   2.4978   1.0494   2.4978   1.0494   0.0000   0.0000  298.605   69.637  ?   ?       ?      ? 
1 1 1   15   20   35 o  527.320   37.034   6.8881   0.9461   5.9921   1.1329   8.9524   1.7198  476.478   46.248  578.162   57.856 -101.6847 74.06883 
1 1 1   15   20   37 o  220.124   42.294   1.2056   0.4510   0.9964   0.5276   1.7736   0.8693  190.050   52.333  250.197   66.457 -60.14713 84.58833 
1 1 1   15   20   39 o  696.630   38.614   13.817   1.1334   14.468   1.2994   11.746   2.3179  743.025   34.015  650.235   69.335 92.79010 77.22893 
1 1 1   15   20   41 o  338.361   38.780   3.0203   0.5563   2.9045   0.6332   3.4119   1.1646  331.880   37.110  344.841   68.106 -12.96054 77.56052 
1 1 1   15   20   43 o  589.580   35.933   9.1869   0.9422   8.9512   1.0839   9.9155   1.9055  582.041   36.222  597.120   62.071 -15.07953 71.86661 
1 1 1   15   20   45 o  574.678   63.501   9.3380   1.8762   9.3380   1.8762   0.0000   0.0000  574.678   63.501  ?   ?       ?      ? 
1 1 1   15   20   47 o  483.476   48.003   7.4026   0.9905   8.2776   1.1931   5.4612   1.7770  553.392   41.934  413.560   86.364 139.8322 96.00572 
1 1 1   15   20   49 o  211.222   47.096   1.1710   0.5884   0.6087   0.7428   2.1177   0.9639  161.902   62.664  260.541   70.323 -98.63892 94.19148 
1 1 1   15   20   51 o  235.815   52.092   1.6403   0.6147   1.6403   0.6147   0.0000   0.0000  235.815   52.092  ?   ?       ?      ? 
1 1 1   15   21    0 o  157.870   48.064   0.9695   0.4718   1.2773   0.5677   0.2817   0.8487  198.017   63.267  117.724   72.373 -0.000000 0.000000 
1 1 1   15   21    2 o  1071.65   28.867   29.629   1.5790   29.658   2.1108   29.593   2.3793  1072.46   38.282  1070.84   43.216 1.615356 57.73315 
1 1 1   15   21    4 o  1221.29   32.023   38.288   1.9553   37.581   2.4798   39.450   3.1792  1207.06   39.960  1235.52   50.050 -28.45630 64.04520 
1 1 1   15   21    6 o  699.712   33.207   12.587   1.1873   13.157   1.7964   12.145   1.5821  713.571   48.966  685.853   44.868 27.71790 66.41414 
1 1 1   15   21    8 o  628.047   31.612   10.192   1.0200   9.7953   1.4479   10.582   1.4371  615.854   45.730  640.241   43.659 -24.38763 63.22483 
1 1 1   15   21   10 o  1062.90   30.836   29.193   1.6835   29.840   2.3480   28.509   2.4151  1075.14   42.478  1050.65   44.711 24.49548 61.67238 
1 1 1   15   21   12 o  839.726   30.669   18.251   1.3203   18.869   1.8196   17.564   1.9186  854.944   41.397  824.508   45.261 30.43634 61.33755 
1 1 1   15   21   14 o  2873.62   35.216  212.044   5.0763  220.837   8.1987  206.577   6.4645  2919.70   54.618  2827.53   44.469 92.16626 70.43201 
1 1 1   15   21   16 o  1307.35   39.820   44.352   2.6756   45.409   3.7729   43.282   3.7950  1323.20   55.460  1291.49   57.155 31.71448 79.63994 
1 1 1   15   21   18 o  650.005   47.728   11.350   1.5402   12.776   2.0220   9.3798   2.3773  701.529   56.061  598.481   77.260 103.0485 95.45665 
1 1 1   15   21   20 o  1016.73   29.582   26.582   1.5417   24.372   2.0895   29.223   2.2841  970.609   41.872  1062.85   41.799 -92.23798 59.16470 
1 1 1   15   21   22 o  316.463   31.920   2.5766   0.5171   2.3729   0.6931   2.8322   0.7765  302.508   44.565  330.419   45.712 -27.91125 63.84012 
1 1 1   15   21   24 o  1349.34   29.650   47.204   2.0529   46.713   2.8102   47.765   3.0061  1342.18   40.724  1356.50   43.104 -14.32117 59.29934 
1 1 1   15   21   26 o  321.280   31.581   2.6838   0.5208   2.6425   0.7144   2.7307   0.7609  318.734   43.595  323.825   45.704 -5.090698 63.16211 
1 1 1   15   21   28 o  1061.45   37.576   29.140   1.8734   28.535   2.2252   30.615   3.4716  1047.03   41.337  1075.86   62.763 -28.83032 75.15273 
1 1 1   15   21   30 o  1550.65   43.069   63.683   3.4200   62.465   4.6176   65.162   5.0901  1536.16   58.467  1565.13   63.257 -28.97119 86.13803 
1 1 1   15   21   32 o  798.144   59.844   16.981   2.4557   16.981   2.4557   0.0000   0.0000  798.144   59.844  ?   ?       ?      ? 
1 1 1   15   21   34 o  630.504   37.621   10.063   1.1439   9.1863   1.3713   12.068   2.0744  590.492   45.170  670.516   60.174 -80.02454 75.24105 
1 1 1   15   21   36 o  777.243   39.742   16.448   1.4490   16.803   1.7413   15.648   2.6131  798.293   42.427  756.193   67.213 42.10040 79.48323 
1 1 1   15   21   38 o  747.921   43.285   16.500   1.4495   18.392   1.7469   12.316   2.5973  834.599   40.711  661.243   76.400 173.3566 86.56950 
1 1 1   15   21   40 o  745.390   45.185   15.382   1.7263   15.882   2.3801   14.827   2.5076  760.597   60.867  730.182   66.797 30.41473 90.36911 
1 1 1   15   21   42 o  650.867   35.690   11.176   1.1943   11.176   1.1943   0.0000   0.0000  650.867   35.690  ?   ?       ?      ? 
1 1 1   15   21   44 f  677.547   43.325   12.330   1.5092   12.330   1.5092   0.0000   0.0000  677.547   43.325  ?   ?       ?      ? 
1 1 1   15   21   46 o  476.047   45.333   7.0897   0.8406   7.5852   0.9610   5.4752   1.7347  534.088   34.999  418.006   83.638 116.0820 90.66592 
1 1 1   15   21   48 o  174.398   40.928   0.8276   0.3568   0.8489   0.3869   0.7064   0.9238  173.100   43.517  175.697   69.330 -2.597015 81.85594 
1 1 1   15   21   50 o  168.562   41.246   0.7795   0.3887   0.7926   0.4369   0.7296   0.8509  165.721   48.311  171.402   66.866 -5.681396 82.49295 
1 1 1   15   22    1 o  1101.86   42.349   31.226   2.1584   30.931   2.5420   31.988   4.0859  1094.47   45.175  1109.26   71.645 -14.79163 84.69825 
1 1 1   15   22    3 o  918.508   42.732   21.377   1.8645   20.630   2.2254   23.135   3.4154  893.519   48.443  943.497   70.410 -49.97729 85.46495 
1 1 1   15   22    5 o  1465.91   31.035   56.008   2.2439   53.557   3.7000   57.435   2.8222  1439.34   50.000  1492.46   36.780 -53.12122 62.07063 
1 1 1   15   22    7 o  772.277   32.194   15.400   1.2765   15.507   1.8576   15.305   1.7571  774.706   46.638  769.849   44.394 4.856812 64.38899 
1 1 1   15   22    9 o  787.233   31.570   16.007   1.2776   16.324   1.8155   15.696   1.7983  794.975   44.419  779.491   44.872 15.48462 63.13949 
1 1 1   15   22   11 o  1025.16   36.993   27.550   1.8686   25.943   3.0741   28.491   2.3532  1000.08   59.788  1050.25   43.580 -50.17334 73.98578 
1 1 1   15   22   13 o  1629.12   56.190   68.807   4.7063   0.0000   0.0000   68.807   4.7063  ?   ?   1629.12   56.190      ?      ? 
1 1 1   15   22   15 o  734.814   34.813   13.763   1.2597   13.254   1.5573   14.728   2.1425  716.127   42.297  753.500   55.306 -37.37274 69.62610 
1 1 1   15   22   17 o  1377.79   45.781   49.051   3.1964   47.202   4.1486   51.753   5.0143  1347.40   59.887  1408.17   69.261 -60.76807 91.56147 
1 1 1   15   22   19 f  462.691   30.752   5.5049   0.7287   4.9093   0.9887   6.2131   1.0782  435.428   44.166  489.954   42.805 -54.52643 61.50478 
1 1 1   15   22   21 o  606.655   30.425   9.5854   0.9429   10.056   1.2841   9.0342   1.3891  623.236   40.075  590.075   45.789 33.16113 60.84904 
1 1 1   15   22   23 o  1111.96   29.902   32.123   1.7038   32.568   2.3264   31.608   2.5023  1120.75   40.375  1103.18   44.118 17.56750 59.80424 
1 1 1   15   22   25 o  761.532   29.904   15.095   1.1668   15.350   1.5936   14.800   1.7130  768.869   40.315  754.195   44.177 14.67413 59.80709 
1 1 1   15   22   27 o  1094.89   29.763   31.158   1.6731   30.213   2.2944   32.232   2.4449  1077.40   41.421  1112.38   42.751 -34.98108 59.52616 
1 1 1   15   22   29 o  246.228   40.733   1.6484   0.4923   1.7107   0.8171   1.6130   0.6167  248.994   63.599  243.463   50.910 5.531158 81.46600 
1 1 1   15   22   31 o  623.849   42.908   10.433   1.3649   8.9858   1.9367   11.862   1.9238  578.936   65.066  668.762   55.952 -89.82568 85.81543 
1 1 1   15   22   33 o  887.358   36.188   19.381   1.5466   16.913   1.8418   25.283   2.8482  801.635   44.688  973.080   56.932 -171.4448 72.37574 
1 1 1   15   22   35 o  733.692   39.734   14.809   1.3674   15.417   1.6522   13.486   2.4358  765.055   42.006  702.329   67.459 62.72614 79.46823 
1 1 1   15   22   37 o  600.229   38.083   9.2479   1.0975   8.5088   1.3122   10.969   2.0021  566.160   45.081  634.297   61.393 -68.13751 76.16673 
1 1 1   15   22   39 o  464.596   51.703   6.3122   1.1608   7.6040   1.5826   4.8081   1.7077  527.954   58.305  401.238   85.402 126.7161 103.4068 
1 1 1   15   22   41 o  279.714   43.929   2.0983   0.5716   1.8861   0.6768   2.6260   1.0673  259.683   52.501  299.745   70.447 -40.06189 87.85828 
1 1 1   15   22   43 o  535.978   43.638   7.7095   1.2025   7.7095   1.2025   0.0000   0.0000  535.978   43.638  ?   ?       ?      ? 
1 1 1   15   22   45 o  340.023   46.643   3.4726   0.7222   3.6317   0.8622   3.0985   1.3225  365.591   45.869  314.455   81.230 51.13565 93.28593 
1 1 1   15   22   47 o  138.744   37.902   0.3901   0.2705   0.3941   0.2853   0.3546   0.8507  122.069   39.685  155.419   64.585 -33.34961 75.80351 
1 1 1   15   22   49 o  210.020   43.338   1.3720   0.4734   1.4642   0.5470   1.0969   0.9449  225.107   48.681  194.932   71.714 30.17494 86.67598 
1 1 1   15   22   51 o  145.453   40.133   0.4193   0.3701   0.3271   0.4180   0.7545   0.7967  122.304   47.098  168.601   64.996 -46.29671 80.26662 
1 1 1   15   23    0 o  372.905   93.177   4.2053   1.5455   4.2053   1.5455   0.0000   0.0000  372.905   93.177  372.905   93.177 0.000000 0.000000 
1 1 1   15   23    2 o  1197.48   40.833   36.197   2.2573   39.331   4.3468   35.040   2.6414  1230.11   68.731  1164.85   44.106 65.26367 81.66567 
1 1 1   15   23    4 o  509.599   31.405   6.5851   0.7955   7.1766   1.3285   6.2544   0.9932  526.852   49.044  492.346   39.238 34.50595 62.80928 
1 1 1   15   23    6 o  687.875   41.884   12.574   1.3310   11.557   2.4537   12.998   1.5843  666.324   71.625  709.425   43.438 -43.10144 83.76751 
1 1 1   15   23    8 o  1019.39   32.590   26.894   1.7023   26.357   2.4983   27.359   2.3257  1009.63   48.129  1029.14   43.955 -19.50946 65.17982 
1 1 1   15   23   10 o  200.936   42.278   1.0638   0.4692   0.9783   0.6989   1.1339   0.6331  195.676   61.965  206.196   57.534 -10.52020 84.55635 
1 1 1   15   23   12 o  486.063   36.551   6.2257   0.8812   6.5694   1.1267   5.6844   1.4141  504.173   43.466  467.953   58.775 36.22061 73.10120 
1 1 1   15   23   14 o  1062.10   30.682   29.199   1.6709   29.676   2.2912   28.658   2.4419  1071.62   41.587  1052.58   45.124 19.04224 61.36478 
1 1 1   15   23   16 o  1591.46   42.033   67.384   2.9491   68.914   3.4120   62.864   5.8644  1632.89   40.642  1550.03   73.590 82.85645 84.06685 
1 1 1   15   23   18 o  1052.46   30.198   28.567   1.6298   27.264   2.2098   30.122   2.4132  1026.38   41.878  1078.54   43.520 -52.16785 60.39642 
1 1 1   15   23   20 o  492.352   31.555   6.2514   0.7782   4.4990   1.0516   8.3717   1.1568  416.060   49.164  568.644   39.569 -152.5833 63.10918 
1 1 1   15   23   22 o  414.863   31.561   4.5181   0.6656   4.9137   0.9040   4.0498   0.9836  435.300   40.395  394.427   48.503 40.87277 63.12157 
1 1 1   15   23   24 o  817.930   30.070   17.414   1.2603   17.681   1.7216   17.106   1.8500  825.097   40.584  810.764   44.383 14.33240 60.14035 
1 1 1   15   23   26 o  526.524   30.576   7.1829   0.8254   6.6165   1.1196   7.8574   1.2216  503.917   43.214  549.132   43.269 -45.21542 61.15268 
1 1 1   15   23   28 o  258.470   44.961   1.6585   0.6317   0.7352   0.8144   3.0526   1.0007  182.192   66.645  334.748   60.369 -152.5558 89.92192 
1 1 1   15   23   30 o  578.485   42.710   8.9163   1.2698   8.6031   1.7859   9.2366   1.8058  567.952   61.160  589.017   59.632 -21.06482 85.42004 
1 1 1   15   23   32 o  930.950   30.413   22.804   1.4525   23.560   2.0117   21.979   2.0994  947.895   41.279  914.006   44.676 33.88898 60.82669 
1 1 1   15   23   34 o  779.569   39.396   16.451   1.4390   16.711   1.7246   15.856   2.6108  796.625   42.109  762.513   66.597 34.11163 78.79282 
1 1 1   15   23   36 o  819.783   38.497   17.807   1.4981   17.365   1.7946   18.822   2.7211  810.117   43.086  829.449   63.809 -19.33203 76.99357 
1 1 1   15   23   38 o  298.238   45.769   2.7197   0.6330   3.0191   0.7469   1.9570   1.1923  337.205   43.083  259.271   80.767 77.93390 91.53891 
1 1 1   15   23   40 o  522.111   38.655   6.8786   0.9690   6.0037   1.1511   9.0063   1.7952  472.949   47.342  571.272   61.121 -98.32324 77.31094 
1 1 1   15   23   42 o  483.011   46.776   6.5972   1.1507   6.6829   1.5366   6.4877   1.7362  489.814   61.019  476.209   70.913 13.60464 93.55237 
1 1 1   15   23   44 o  488.337   52.677   8.0148   1.0609   9.4021   1.2755   4.8994   1.9113  591.285   41.956  385.388   96.638 205.8971 105.3532 
1 1 1   15   23   46 o  198.963   40.664   1.1304   0.3801   1.1437   0.4209   1.0716   0.8842  202.239   41.863  195.688   69.726 6.551285 81.32754 
1 1 1   15   23   48 o  252.222   45.931   2.0572   0.5896   2.2714   0.6889   1.4704   1.1402  285.993   46.849  218.450   79.019 67.54350 91.86293 
1 1 1   15   23   50 o  303.750   46.675   2.5697   0.6455   2.1419   0.7504   3.7862   1.2654  266.857   56.459  340.643   74.341 -73.78607 93.34959 
1 1 1   15   24    1 o  2364.06   40.674  145.008   4.9296  142.711   7.2166  147.018   6.7499  2345.69   59.840  2382.43   55.107 -36.73511 81.34857 
1 1 1   15   24    3 o  1179.12   45.254   36.001   2.6400   36.507   4.3867   35.714   3.3056  1183.98   72.066  1174.26   54.755 9.720825 90.50713 
1 1 1   15   24    5 o  326.390   40.660   2.7967   0.6553   2.0088   0.8883   3.7369   0.9705  272.706   64.391  380.074   49.666 -107.3676 81.31968 
1 1 1   15   24    7 o  692.362   45.104   12.708   1.5527   11.343   2.4574   13.616   2.0032  659.698   72.454  725.027   53.741 -65.32880 90.20883 
1 1 1   15   24    9 o  1264.67   35.844   40.998   2.2994   39.036   2.9860   43.856   3.6042  1228.45   47.278  1300.88   53.889 -72.43311 71.68856 
1 1 1   15   24   11 o  2068.57   35.634  111.214   3.6851  112.504   4.7085  109.175   5.9203  2085.99   43.904  2051.16   56.140 34.83154 71.26884 
1 1 1   15   24   13 o  777.075   31.208   15.633   1.2378   13.268   1.7227   18.157   1.7796  715.974   46.800  838.176   41.298 -122.2019 62.41586 
1 1 1   15   24   15 o  1923.66   41.086   94.691   3.5437   93.103   4.0927   99.448   7.0833  1897.30   41.957  1950.01   70.653 -52.71338 82.17207 
1 1 1   15   24   17 o  663.846   38.233   11.628   1.2447   10.885   2.0643   12.052   1.5603  645.689   62.184  682.002   44.499 -36.31372 76.46516 
1 1 1   15   24   19 o  1286.54   30.252   42.903   1.9937   42.759   2.7040   43.075   2.9511  1284.64   40.941  1288.45   44.550 -3.806274 60.50478 
1 1 1   15   24   21 f  1361.24   29.995   48.033   2.0926   47.245   2.8387   48.971   3.0970  1349.49   40.914  1372.99   43.874 -23.49963 59.99075 
1 1 1   15   24   23 o  884.621   30.486   20.412   1.3791   20.987   1.8721   19.729   2.0391  898.899   40.509  870.343   45.571 28.55597 60.97250 
1 1 1   15   24   25 o  525.043   30.776   7.1526   0.8289   6.6228   1.1300   7.7698   1.2196  504.076   43.603  546.010   43.444 -41.93481 61.55127 
1 1 1   15   24   27 o  440.462   39.341   4.8434   0.8105   4.4878   0.9496   5.7974   1.5553  414.328   44.579  466.596   64.836 -52.26816 78.68250 
1 1 1   15   24   29 o  233.967   43.875   1.4936   0.5647   0.8452   0.7933   2.1597   0.8041  187.463   66.123  280.472   57.688 -93.00922 87.75072 
1 1 1   15   24   31 o  709.252   30.762   13.306   1.1136   14.557   1.5407   11.936   1.6115  745.545   40.196  672.958   46.578 72.58698 61.52417 
1 1 1   15   24   33 o  480.504   32.564   6.1013   0.7801   4.3001   1.0622   8.2108   1.1494  401.869   51.409  559.140   39.985 -157.2713 65.12830 
1 1 1   15   24   35 o  446.309   32.351   5.2658   0.7360   4.3864   1.0084   6.2681   1.0765  405.774   48.337  486.844   43.010 -81.06921 64.70191 
1 1 1   15   24   37 o  550.443   39.613   8.0673   1.0417   7.8168   1.2529   8.6277   1.8744  541.949   44.968  558.938   65.227 -16.98889 79.22549 
1 1 1   15   24   39 o  396.296   48.538   4.3639   0.9511   3.3058   1.2594   5.7685   1.4510  335.437   74.916  457.156   61.735 -121.7194 97.07540 
1 1 1   15   24   41 o  108.306   33.083   0.0000   0.3183   0.0000   0.3873   0.0000   0.5587   98.888   42.443  117.725   50.759 -18.83691 66.16603 
1 1 1   15   24   43 o  442.113   49.301   6.1405   0.9372   6.8018   1.1222   4.6167   1.7036  502.456   43.443  381.770   88.516 120.6862 98.60172 
1 1 1   15   24   45 o  274.415   53.409   2.3624   0.7765   2.4948   1.0231   2.1825   1.1927  286.251   70.083  262.580   80.613 23.67075 106.8181 
1 1 1   15   24   47 o  300.218   46.737   2.4284   0.6507   1.9430   0.7645   3.7055   1.2400  255.258   59.372  345.178   72.196 -89.91951 93.47339 
1 1 1   15   24   49 o  146.938   39.785   0.4474   0.3756   0.3406   0.4346   0.7622   0.7463  125.068   48.061  168.808   63.416 -43.74002 79.57029 
1 1 1   15   25    0 o  1215.42   58.422   38.409   3.6315   0.0000   0.0000   38.409   3.6315  1215.42   58.422  1215.42   58.422 0.000000 0.000000 
1 1 1   15   25    2 o  541.142   29.915   7.5582   0.8276   7.5098   1.1110   7.6186   1.2403  539.329   40.067  542.955   44.433 -3.626038 59.83033 
1 1 1   15   25    4 o  1803.41   29.827   83.904   2.7582   82.567   3.7530   85.475   4.0672  1788.08   40.825  1818.73   43.497 -30.64551 59.65466 
1 1 1   15   25    6 o  589.976   30.526   8.9470   0.9234   8.2176   1.2549   9.8084   1.3637  563.883   43.285  616.069   43.055 -52.18549 61.05149 
1 1 1   15   25    8 o  1498.18   29.833   57.904   2.2859   57.026   3.0690   58.998   3.4258  1485.82   40.175  1510.54   44.112 -24.72375 59.66509 
1 1 1   15   25   10 o  1170.90   32.069   35.477   1.9294   35.192   2.7693   35.747   2.6897  1166.18   46.189  1175.62   44.500 -9.436890 64.13796 
1 1 1   15   25   12 o  1500.43   31.399   58.248   2.4221   58.197   3.4156   58.300   3.4351  1499.79   44.296  1501.07   44.512 -1.275513 62.79706 
1 1 1   15   25   14 o  1234.17   30.909   39.395   1.9603   38.035   2.7233   40.859   2.8240  1212.07   43.702  1256.26   43.723 -44.19421 61.81881 
1 1 1   15   25   16 f  263.993   42.851   1.9279   0.5532   1.7050   0.9250   2.0521   0.6902  251.108   69.358  276.879   50.340 -25.77055 85.70123 
1 1 1   15   25   18 o  1177.74   30.494   35.923   1.8416   35.192   2.5043   36.783   2.7176  1165.05   41.810  1190.44   44.402 -25.38635 60.98856 
1 1 1   15   25   20 o  415.100   32.429   4.4626   0.6891   4.2841   0.9255   4.6848   1.0324  405.982   44.340  424.218   47.334 -18.23547 64.85751 
1 1 1   15   25   22 o  422.832   32.034   4.6581   0.6929   4.6690   0.9351   4.6447   1.0318  423.666   42.930  421.998   47.558 1.668030 64.06863 
1 1 1   15   25   24 o  859.544   30.254   19.153   1.3335   17.793   1.8106   20.766   1.9714  826.403   42.615  892.685   42.955 -66.28210 60.50736 
1 1 1   15   25   26 o  301.679   32.926   2.3802   0.5104   2.2764   0.7083   2.4923   0.7361  294.827   46.725  308.530   46.403 -13.70328 65.85233 
1 1 1   15   25   28 o  650.493   58.750   11.252   1.9648   0.0000   0.0000   11.252   1.9648  ?   ?   650.493   58.750      ?      ? 
1 1 1   15   25   30 o  701.523   31.260   12.844   1.1093   9.9494   1.5032   16.305   1.6437  614.108   47.609  788.938   40.524 -174.8295 62.52018 
1 1 1   15   25   32 o  498.887   31.343   6.5449   0.8021   5.9715   1.1024   7.1897   1.1691  475.526   45.093  522.248   43.543 -46.72308 62.68511 
1 1 1   15   25   34 o  282.806   32.762   2.1232   0.4763   2.0923   0.6649   2.1557   0.6824  280.747   46.068  284.866   46.597 -4.118103 65.52486 
1 1 1   15   25   36 o  565.682   31.576   8.5236   0.9166   8.8717   1.2769   8.1536   1.3166  578.326   42.944  553.038   46.305 25.28790 63.15281 
1 1 1   15   25   38 o  579.457   46.643   9.2993   1.3853   8.3942   1.8898   10.351   2.0365  548.419   67.024  610.496   64.884 -62.07697 93.28536 
1 1 1   15   25   40 o  619.323   45.688   10.683   1.4506   9.8826   1.9648   11.643   2.1506  594.192   64.315  644.453   64.909 -50.26105 91.37597 
1 1 1   15   25   42 o  180.507   52.282   0.9176   0.5132   0.9176   0.5132   0.0000   0.0000  180.507   52.282  ?   ?       ?      ? 
1 1 1   15   25   44 o  239.836   45.061   1.7579   0.5489   1.8852   0.6616   1.4768   0.9830  257.174   51.827  222.498   73.729 34.67589 90.12217 
1 1 1   15   25   46 o  164.064   41.249   0.6787   0.3820   0.6581   0.4297   0.7561   0.8339  153.716   48.577  174.412   66.680 -20.69633 82.49854 
1 1 1   15   25   48 o  108.774   34.018   0.0000   0.3034   0.0000   0.3375   0.0000   0.6934   91.179   39.381  126.369   55.481 -35.19059 68.03692 
1 1 1   15   26    1 o  1101.66   32.557   31.448   1.8408   30.126   2.6438   32.692   2.5646  1078.90   47.662  1124.42   44.363 -45.51843 65.11375 
1 1 1   15   26    3 o  1197.04   29.894   37.038   1.8328   37.098   2.4874   36.968   2.7109  1198.37   40.372  1195.71   44.098 2.662842 59.78743 
1 1 1   15   26    5 o  754.558   28.763   14.905   1.1008   12.971   1.6218   16.556   1.4991  708.207   44.541  800.910   36.406 -92.70282 57.52659 
1 1 1   15   26    7 o  961.106   30.479   24.001   1.4967   25.190   2.0392   22.612   2.2037  987.403   40.169  934.809   45.852 52.59375 60.95894 
1 1 1   15   26    9 o  1564.63   29.931   63.240   2.3929   62.767   3.2054   63.835   3.5963  1558.52   40.004  1570.74   44.534 -12.22266 59.86288 
1 1 1   15   26   11 o  839.139   32.498   18.281   1.3985   17.012   1.9949   19.507   1.9611  810.162   47.893  868.116   43.939 -57.95453 64.99532 
1 1 1   15   26   13 o  320.850   35.496   2.7265   0.5642   3.2596   0.8061   2.2143   0.7900  354.705   44.203  286.994   55.551 67.71045 70.99157 
1 1 1   15   26   15 o  951.128   49.006   23.852   2.3577   24.299   3.0891   23.228   3.6490  963.776   62.343  938.481   75.627 25.29468 98.01099 
1 1 1   15   26   17 o  1275.51   30.696   42.192   2.0097   41.602   2.7571   42.860   2.9357  1266.31   42.348  1284.72   44.447 -18.41272 61.39151 
1 1 1   15   26   19 o  570.169   31.252   8.4325   0.9140   8.1783   1.2433   8.7314   1.3480  560.998   43.108  579.339   45.259 -18.34064 62.50328 
1 1 1   15   26   21 o  644.493   31.273   10.832   1.0314   10.989   1.3985   10.644   1.5271  650.068   41.843  638.919   46.489 11.14862 62.54688 
1 1 1   15   26   23 o  1094.79   30.553   31.342   1.7096   32.253   2.3171   30.253   2.5329  1113.24   40.484  1076.34   45.772 36.90283 61.10675 
1 1 1   15   26   25 o  680.641   36.484   11.772   1.2460   14.100   2.0527   10.414   1.5680  731.180   54.604  630.101   48.402 101.0793 72.96792 
1 1 1   15   26   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   26   29 o  566.463   31.279   8.4018   0.9090   7.7260   1.2436   9.1769   1.3319  541.993   44.629  590.933   43.838 -48.93988 62.55782 
1 1 1   15   26   31 o  783.884   31.467   16.355   1.2563   17.920   1.7249   14.586   1.8334  825.873   40.624  741.895   48.067 83.97736 62.93415 
1 1 1   15   26   33 o  578.134   31.316   8.8367   0.9295   8.6193   1.2753   9.0832   1.3576  570.872   43.453  585.396   45.107 -14.52386 62.63226 
1 1 1   15   26   35 o  514.450   32.225   6.9992   0.8467   5.9607   1.1524   8.2173   1.2481  472.515   47.437  556.386   43.630 -83.87097 64.45081 
1 1 1   15   26   37 o  662.160   43.718   12.670   1.2949   13.456   1.5336   10.717   2.4166  711.803   41.908  612.516   76.739 99.28650 87.43606 
1 1 1   15   26   39 o  396.324   52.137   4.5857   1.0185   4.4644   1.3684   4.7364   1.5251  392.395   70.416  400.254   76.908 -7.858643 104.2748 
1 1 1   15   26   41 o  676.462   44.183   12.321   1.5366   12.321   1.5366   0.0000   0.0000  676.462   44.183  ?   ?       ?      ? 
1 1 1   15   26   43 o  242.068   43.678   1.8486   0.5522   2.1471   0.6563   1.1253   1.0218  280.907   45.444  203.229   74.605 77.67871 87.35584 
1 1 1   15   26   45 o  390.822   50.887   5.1752   0.8623   5.8853   1.0248   3.4539   1.5955  464.504   42.914  317.140   92.284 147.3644 101.7740 
1 1 1   15   26   47 o  513.303   55.363   8.5435   1.3790   9.7779   1.8700   7.0718   2.0418  573.031   63.474  453.574   90.727 119.4568 110.7264 
1 1 1   15   27    0 o  406.566   66.409   6.2091   1.2129   2.0334   1.9224   8.9705   1.5633  230.842  121.679  582.290   53.243 0.000000 0.000000 
1 1 1   15   27    2 o  668.404   30.304   11.520   1.0357   11.258   1.3870   11.849   1.5571  660.033   40.874  676.775   44.752 -16.74237 60.60885 
1 1 1   15   27    4 o  481.630   31.237   6.0264   0.7697   6.3435   1.0565   5.6677   1.1237  495.371   41.482  467.889   46.714 27.48108 62.47412 
1 1 1   15   27    6 o  1690.06   27.987   73.895   2.4225   72.862   3.5715   74.775   3.2969  1678.69   41.382  1701.43   37.690 -22.73267 55.97325 
1 1 1   15   27    8 o  232.252   35.347   1.4712   0.4171   1.8202   0.5660   1.0562   0.6172  265.264   41.499  199.239   57.231 66.02550 70.69353 
1 1 1   15   27   10 o  2075.45   32.557  111.610   3.4693  112.567   5.0472  110.753   4.7767  2083.47   47.119  2067.43   44.939 16.04346 65.11303 
1 1 1   15   27   12 o  903.830   32.410   21.201   1.5053   20.783   2.1485   21.605   2.1097  894.914   46.696  912.747   44.956 -17.83325 64.81940 
1 1 1   15   27   14 o  1180.24   48.217   36.031   2.8952   32.762   3.7765   40.692   4.5091  1117.26   65.746  1243.22   70.546 -125.9607 96.43313 
1 1 1   15   27   16 o  542.739   31.900   7.6418   0.8893   7.2985   1.2267   8.0220   1.2911  529.927   45.024  555.550   45.203 -25.62396 63.80045 
1 1 1   15   27   18 o  518.668   32.320   7.0572   0.8550   7.7807   1.1829   6.2656   1.2372  547.223   42.043  490.114   49.100 57.10870 64.64081 
1 1 1   15   27   20 o  774.724   31.876   15.861   1.2514   17.856   1.7118   13.571   1.8340  828.877   40.168  720.570   49.505 108.3077 63.75119 
1 1 1   15   27   22 o  816.504   30.844   17.338   1.2907   16.761   1.7459   18.033   1.9167  801.922   42.346  831.087   44.858 -29.16547 61.68838 
1 1 1   15   27   24 o  978.124   37.450   25.281   1.8171   24.904   2.9749   25.505   2.2950  969.075   59.711  987.174   45.218 -18.09888 74.90038 
1 1 1   15   27   26 o  1077.38   59.086   30.897   3.2728   30.897   3.2728   0.0000   0.0000  1077.38   59.086  ?   ?       ?      ? 
1 1 1   15   27   28 o  795.384   31.224   16.718   1.2689   17.661   1.7346   15.633   1.8610  820.807   41.105  769.961   47.013 50.84662 62.44857 
1 1 1   15   27   30 o  783.963   31.006   16.218   1.2460   16.371   1.7030   16.041   1.8277  788.773   41.995  779.153   45.627 9.620361 62.01114 
1 1 1   15   27   32 o  647.761   31.561   11.099   1.0493   10.871   1.4375   11.359   1.5353  641.088   43.614  654.433   45.630 -13.34515 63.12104 
1 1 1   15   27   34 o  904.980   31.400   21.876   1.4525   23.609   2.0097   19.980   2.1016  944.660   41.379  865.300   47.240 79.36029 62.80033 
1 1 1   15   27   36 f  392.716   33.073   4.1127   0.6665   3.8040   0.9140   4.4633   0.9740  376.901   47.169  408.530   46.373 -31.62918 66.14681 
1 1 1   15   27   38 o  899.549   38.979   22.013   1.7107   22.463   2.9205   21.778   2.1108  897.999   63.258  901.098   45.562 -3.098816 77.95771 
1 1 1   15   27   40 o  230.872   37.974   1.7156   0.4752   2.3058   0.5860   0.5818   0.8122  294.266   38.733  167.478   65.330 126.7877 75.94888 
1 1 1   15   27   42 o  397.998   44.676   4.5557   0.8013   4.5489   0.9537   4.5721   1.4775  409.163   45.336  386.832   76.997 22.33130 89.35229 
1 1 1   15   27   44 o  282.819   47.366   2.8239   0.7009   3.4523   0.8233   1.1693   1.3360  354.959   45.116  210.679   83.300 144.2800 94.73246 
1 1 1   15   27   46 f  193.490   44.571   1.0610   0.4591   1.0191   0.5253   1.1964   0.9448  186.419   52.548  200.561   72.008 -14.14110 89.14286 
1 1 1   15   27   48 o  210.866   43.101   1.4939   0.5073   1.7435   0.5934   0.8164   0.9777  244.101   48.983  177.631   70.934 66.47050 86.20290 
1 1 1   15   28    1 o  1457.35   32.920   54.971   2.4651   57.659   3.5467   52.460   3.4286  1491.85   46.241  1422.84   46.869 69.00635 65.84060 
1 1 1   15   28    3 o  296.826   33.775   2.2891   0.5013   1.9741   0.6716   2.6853   0.7533  271.689   49.922  321.963   45.507 -50.27429 67.55045 
1 1 1   15   28    5 o  1359.16   27.943   47.559   1.9478   50.903   2.8811   44.745   2.6434  1402.87   39.946  1315.45   39.085 87.41785 55.88691 
1 1 1   15   28    7 o  1205.07   28.359   37.794   1.7453   35.107   2.5610   40.124   2.3849  1164.30   42.784  1245.84   37.235 -81.53369 56.71743 
1 1 1   15   28    9 o  266.020   34.778   1.8693   0.4589   1.3030   0.6252   2.5311   0.6759  219.459   55.403  312.582   42.056 -93.12265 69.55658 
1 1 1   15   28   11 o  840.609   33.250   18.444   1.4298   17.043   2.0728   19.715   1.9748  809.489   49.805  871.729   44.064 -62.23944 66.49926 
1 1 1   15   28   13 o  720.604   51.672   13.956   1.8707   15.161   2.4718   12.341   2.8619  760.096   63.252  681.112   81.727 78.98376 103.3445 
1 1 1   15   28   15 o  605.218   31.816   9.5265   0.9875   8.6609   1.3814   10.431   1.4122  576.852   46.580  633.584   43.352 -56.73260 63.63247 
1 1 1   15   28   17 o  655.645   31.790   11.221   1.0685   11.700   1.4773   10.696   1.5472  670.730   42.840  640.560   46.981 30.16925 63.58033 
1 1 1   15   28   19 o  154.804   36.812   0.5775   0.3502   0.7380   0.5055   0.4292   0.4858  168.330   52.612  141.278   51.503 27.05156 73.62493 
1 1 1   15   28   21 o  329.290   35.234   2.8515   0.5773   2.3441   0.7795   3.4679   0.8592  294.343   53.483  364.237   45.883 -69.89459 70.46721 
1 1 1   15   28   23 o  624.920   40.683   10.903   1.2204   8.4078   1.9751   12.444   1.5522  560.058   68.592  689.781   43.768 -129.7225 81.36687 
1 1 1   15   28   25 o  355.851   44.848   3.3229   0.8205   3.3229   0.8205   0.0000   0.0000  355.851   44.848  ?   ?       ?      ? 
1 1 1   15   28   27 f  742.832   31.834   14.663   1.2032   16.027   1.6439   13.090   1.7656  781.915   40.894  703.750   48.798 78.16461 63.66782 
1 1 1   15   28   29 o  903.925   31.656   21.813   1.4534   24.249   1.9914   19.037   2.1260  960.788   40.314  847.062   48.818 113.7265 63.31168 
1 1 1   15   28   31 o  253.440   37.633   1.7853   0.4739   1.8550   0.6495   1.7058   0.6930  259.616   50.475  247.263   55.832 12.35326 75.26547 
1 1 1   15   28   33 o  176.131   34.734   0.8655   0.3593   1.2844   0.4774   0.3182   0.5457  216.260   44.425  136.001   53.406 80.25922 69.46790 
1 1 1   15   28   35 o  222.902   43.278   1.3268   0.4961   1.7796   0.8385   1.0830   0.6153  248.942   64.863  196.862   57.314 52.07990 86.55670 
1 1 1   15   28   37 o  181.509   41.302   0.7631   0.5040   0.0000   0.7137   1.5224   0.7119  132.271   57.200  230.748   59.594 -98.47746 82.60314 
1 1 1   15   28   39 o  252.743   40.368   2.0381   0.5375   2.7127   0.6745   0.8637   0.8899  318.545   41.184  186.941   69.442 131.6041 80.73595 
1 1 1   15   28   41 o  576.503   32.622   9.0073   0.9652   8.4276   1.3204   9.6726   1.4145  556.651   46.136  596.354   46.134 -39.70233 65.24490 
1 1 1   15   28   43 o  154.087   40.326   0.5864   0.3947   0.6478   0.4539   0.3957   0.7996  153.744   50.060  154.430   63.237 -0.6861420 80.65266 
1 1 1   15   28   45 o  300.037   46.426   2.8399   0.6540   3.0104   0.7779   2.4291   1.2076  329.518   45.917  270.557   80.703 58.96097 92.85133 
1 1 1   15   28   47 o  129.570   38.352   0.2226   0.4283   0.3556   0.5412   0.0000   0.7003  132.987   52.880  126.153   55.563 6.834007 76.70479 
1 1 1   15   29    0 o  129.574   48.622   0.6119   0.4790   0.8619   0.5684   0.0000   0.8893  151.627   68.172  107.521   69.346 -0.000000 0.000000 
1 1 1   15   29    2 o  470.264   35.183   5.8158   0.8399   4.9940   1.2241   6.5467   1.1545  438.012   54.356  502.516   44.685 -64.50415 70.36558 
1 1 1   15   29    4 o  808.932   30.890   17.009   1.2790   17.548   1.7459   16.386   1.8789  823.148   41.255  794.717   45.986 28.43127 61.77941 
1 1 1   15   29    6 o  230.554   34.494   1.4333   0.4039   1.0632   0.5805   1.7805   0.5623  198.969   54.942  262.139   41.720 -63.17096 68.98727 
1 1 1   15   29    8 o  256.188   35.849   1.7747   0.4596   2.1370   0.6352   1.3766   0.6659  287.040   43.044  225.335   57.340 61.70547 71.69831 
1 1 1   15   29   10 o  364.499   32.165   3.4486   0.5995   3.4193   0.8058   3.4849   0.8973  362.960   43.183  366.038   47.681 -3.077637 64.32912 
1 1 1   15   29   12 o  400.323   55.698   4.3895   1.1115   4.7105   1.4825   3.9774   1.6796  422.572   68.236  378.074   88.051 44.49780 111.3962 
1 1 1   15   29   14 o  452.468   33.330   5.3331   0.7751   5.5304   1.1046   5.1417   1.0878  460.777   46.629  444.159   47.638 16.61874 66.66068 
1 1 1   15   29   16 o  420.212   32.849   4.6025   0.7071   4.0934   0.9840   5.1459   1.0167  395.952   48.339  444.472   44.492 -48.52020 65.69809 
1 1 1   15   29   18 o  796.066   31.651   16.460   1.2832   13.556   1.7546   19.800   1.8815  720.195   47.387  871.937   41.971 -151.7422 63.30141 
1 1 1   15   29   20 o  122.168   31.690   0.2520   0.2768   0.0000   0.3812   0.5331   0.4026   99.369   42.365  144.968   47.142 -45.59935 63.38094 
1 1 1   15   29   22 o  143.774   38.769   0.3887   0.3803   0.3986   0.6632   0.3838   0.4642  151.871   59.091  135.677   50.203 16.19435 77.53808 
1 1 1   15   29   24 o  340.118   37.698   2.9537   0.6332   2.6939   0.7793   3.4586   1.0865  319.940   47.377  360.295   58.652 -40.35535 75.39664 
1 1 1   15   29   26 o  274.557   44.544   2.0194   0.5911   2.4101   1.0179   1.8207   0.7260  292.538   68.829  256.576   56.561 35.96255 89.08724 
1 1 1   15   29   28 o  1024.82   31.313   27.864   1.6396   29.525   2.2446   25.964   2.4007  1059.52   41.206  990.116   47.161 69.40753 62.62604 
1 1 1   15   29   30 o  438.829   32.446   5.0553   0.7261   4.2518   0.9774   6.0450   1.0848  399.820   47.551  477.838   44.157 -78.01813 64.89120 
1 1 1   15   29   32 o  499.319   32.416   6.6394   0.8311   6.6578   1.1484   6.6191   1.2044  500.497   44.631  498.141   47.026 2.356842 64.83283 
1 1 1   15   29   34 o  158.757   35.701   0.6130   0.3419   0.9998   0.5183   0.3151   0.4549  189.382   51.756  128.133   49.189 61.24844 71.40182 
1 1 1   15   29   36 o  486.418   54.253   7.1745   1.2502   8.8594   1.6802   5.0844   1.8713  567.999   57.536  404.839   91.995 163.1601 108.5058 
1 1 1   15   29   38 o  384.219   40.468   3.6395   0.7258   2.2444   0.8827   6.5510   1.2752  278.062   63.183  490.376   50.581 -212.3136 80.93536 
1 1 1   15   29   40 o  185.275   36.789   0.9510   0.3634   0.7880   0.4775   1.1755   0.5603  167.976   50.894  202.575   53.137 -34.59933 73.57850 
1 1 1   15   29   42 o  260.627   36.261   1.9707   0.4706   2.4154   0.6453   1.4654   0.6878  298.405   42.061  222.849   59.078 75.55666 72.52123 
1 1 1   15   29   44 o  228.629   44.327   1.4286   0.4988   1.1674   0.5894   2.0876   0.9361  198.783   55.531  258.475   69.107 -59.69229 88.65359 
1 1 1   15   29   46 o  461.304   57.442   7.2969   1.2707   9.2154   1.7292   5.0449   1.8735  556.367   60.451  366.241   97.694 190.1262 114.8849 
1 1 1   15   30    1 o  802.570   44.305   16.805   1.8116   20.127   2.6538   13.906   2.4792  877.441   58.827  727.698   66.266 149.7424 88.61033 
1 1 1   15   30    3 o  795.048   36.491   16.960   1.3896   17.968   1.7129   15.019   2.3767  832.731   40.010  757.364   61.038 75.36652 72.98274 
1 1 1   15   30    5 o  406.580   29.445   4.2816   0.6144   4.3783   0.9001   4.1972   0.8408  410.787   42.617  402.372   40.643 8.414368 58.89024 
1 1 1   15   30    7 o  624.126   28.873   10.086   0.9244   10.351   1.3604   9.8586   1.2600  631.578   41.897  616.675   39.741 14.90308 57.74683 
1 1 1   15   30    9 o  637.406   42.969   9.9309   1.1877   9.3506   1.3389   12.075   2.5735  599.911   43.409  674.901   74.168 -74.98987 85.93758 
1 1 1   15   30   11 o  1217.97   44.756   37.544   2.5752   35.373   3.0480   42.960   4.8138  1163.92   50.936  1272.02   73.608 -108.0990 89.51287 
1 1 1   15   30   13 o  420.189   34.721   4.6595   0.7403   3.8761   1.0601   5.4052   1.0344  384.720   53.597  455.658   44.153 -70.93829 69.44204 
1 1 1   15   30   15 o  154.732   33.720   0.5823   0.3180   0.9478   0.4527   0.2263   0.4467  186.960   47.116  122.505   48.252 64.45488 67.44026 
1 1 1   15   30   17 o  443.980   33.375   5.1436   0.7587   4.5333   1.0477   5.8167   1.1003  416.056   48.980  471.904   45.350 -55.84763 66.75072 
1 1 1   15   30   19 o  468.241   39.356   5.6699   0.9089   6.2042   1.5456   5.3875   1.1237  483.230   62.211  453.252   48.220 29.97742 78.71101 
1 1 1   15   30   21 o  558.788   44.010   8.3282   1.2610   8.3282   1.8505   8.3282   1.7230  558.040   64.498  559.536   59.896 -1.496338 88.01962 
1 1 1   15   30   23 o  422.927   33.775   4.6946   0.7269   3.8437   0.9956   5.6662   1.0638  381.360   50.780  464.495   44.547 -83.13541 67.55035 
1 1 1   15   30   25 o  357.447   53.410   3.6857   0.9599   4.3303   1.2803   2.8581   1.4506  401.047   62.093  313.848   86.920 87.19949 106.8206 
1 1 1   15   30   27 o  188.497   39.184   0.9764   0.4020   1.0299   0.5189   0.8960   0.6357  193.238   51.355  183.756   59.195 9.481918 78.36720 
1 1 1   15   30   29 o  334.314   33.948   2.9760   0.5813   2.9802   0.7898   2.9709   0.8588  335.083   45.848  333.545   50.079 1.538116 67.89615 
1 1 1   15   30   31 f  1096.86   31.750   32.165   1.7786   34.058   2.4312   29.984   2.6089  1134.30   41.690  1059.42   47.898 74.88135 63.50027 
1 1 1   15   30   33 o  283.421   37.725   2.1796   0.5325   1.5677   0.7140   2.9467   0.7994  234.999   59.139  331.842   46.853 -96.84271 75.44985 
1 1 1   15   30   35 o  567.768   53.182   10.214   1.2239   11.280   1.4351   7.3722   2.3437  650.208   42.930  485.327   97.315 164.8818 106.3637 
1 1 1   15   30   37 o  209.183   40.816   1.2976   0.4672   1.5901   0.5996   0.8455   0.7454  237.755   50.604  180.611   64.056 57.14455 81.63242 
1 1 1   15   30   39 o  267.303   38.034   2.0939   0.5082   2.7116   0.6946   1.3827   0.7454  317.197   42.593  217.408   63.024 99.78903 76.06704 
1 1 1   15   30   41 o  237.241   38.265   1.6846   0.4855   2.3592   0.6601   0.8897   0.7166  294.442   43.607  180.040   62.891 114.4023 76.53019 
1 1 1   15   30   43 o  376.071   34.491   3.9668   0.6623   4.3008   0.9165   3.6018   0.9581  394.851   45.146  357.291   52.156 37.56000 68.98160 
1 1 1   15   30   45 o  219.553   45.115   1.6299   0.5454   1.8677   0.6246   0.8673   1.1187  253.293   49.740  185.813   75.282 67.47964 90.22958 
1 1 1   15   31    0 o  1406.14   49.237   52.359   3.4646   49.310   5.3859   54.512   4.5252  1367.38   77.174  1444.90   61.165 0.000000 0.000000 
1 1 1   15   31    2 o  1773.28   33.655   81.673   3.0644   85.769   4.4731   78.051   4.2065  1814.91   47.939  1731.64   47.249 83.27112 67.31001 
1 1 1   15   31    4 f  308.489   32.932   2.4696   0.5213   2.3677   0.7103   2.5884   0.7674  301.681   45.795  315.297   47.339 -13.61584 65.86459 
1 1 1   15   31    6 o  510.507   29.794   6.8338   0.7739   6.1660   1.1420   7.4010   1.0525  486.764   45.633  534.249   38.318 -47.48566 59.58751 
1 1 1   15   31    8 o  1038.26   34.001   27.824   1.7677   26.899   2.2413   29.346   2.8754  1017.17   42.859  1059.35   52.795 -42.18457 68.00133 
1 1 1   15   31   10 o  353.337   54.434   3.4051   0.8601   3.4240   0.9898   3.3467   1.7377  361.618   53.238  345.057   94.963 16.56042 108.8680 
1 1 1   15   31   12 o  534.620   35.570   7.6308   0.9560   6.0845   1.3932   9.0068   1.3142  481.195   56.315  588.044   43.469 -106.8496 71.14016 
1 1 1   15   31   14 o  852.991   33.076   19.051   1.4475   17.946   2.0692   20.110   2.0256  828.163   48.599  877.819   44.882 -49.65601 66.15300 
1 1 1   15   31   16 o  1300.98   32.325   44.259   2.1621   43.895   3.0493   44.628   3.0661  1295.56   45.780  1306.40   45.649 -10.83716 64.65057 
1 1 1   15   31   18 o  1085.83   43.637   31.490   2.4153   30.206   3.6130   32.528   3.2477  1063.05   66.106  1108.61   56.982 -45.55896 87.27476 
1 1 1   15   31   20 o  793.668   37.011   16.782   1.4545   17.202   1.8409   16.082   2.3727  810.090   44.201  777.245   59.377 32.84564 74.02295 
1 1 1   15   31   22 o  498.039   32.911   6.5611   0.8381   6.9061   1.1478   6.1670   1.2266  512.873   43.528  483.205   49.376 29.66882 65.82278 
1 1 1   15   31   24 o  286.242   51.635   2.1255   0.7671   1.3727   0.9655   3.4136   1.2630  225.202   72.993  347.281   73.053 -122.0791 103.2706 
1 1 1   15   31   26 o  265.566   39.239   1.9702   0.5175   2.1661   0.7101   1.7483   0.7558  281.260   50.988  249.873   59.658 31.38742 78.47845 
1 1 1   15   31   28 o  227.762   40.047   1.4596   0.4676   1.5727   0.6405   1.3304   0.6843  237.661   53.685  217.862   59.440 19.79880 80.09486 
1 1 1   15   31   30 o  656.850   40.567   11.921   1.3034   10.974   2.1505   12.471   1.6387  629.865   66.409  683.836   46.611 -53.97101 81.13451 
1 1 1   15   31   32 o  457.496   32.846   5.6027   0.7689   5.6513   1.0418   5.5445   1.1397  460.594   43.994  454.398   48.785 6.196014 65.69205 
1 1 1   15   31   34 o  229.652   43.264   1.5334   0.5121   1.3583   0.8502   1.6330   0.6414  218.424   68.230  240.879   53.214 -22.45419 86.52829 
1 1 1   15   31   36 o  309.210   45.630   2.8178   0.7427   1.2567   1.0363   4.4665   1.0650  213.702   75.555  404.718   51.184 -191.0161 91.25986 
1 1 1   15   31   38 o  173.033   36.594   0.8206   0.3596   0.5684   0.4953   1.1017   0.5230  149.399   52.283  196.667   51.216 -47.26848 73.18884 
1 1 1   15   31   40 o  363.797   36.337   3.7757   0.6469   4.3198   0.8790   3.1330   0.9554  398.889   42.863  328.705   58.688 70.18341 72.67401 
1 1 1   15   31   42 o  367.071   33.498   3.7352   0.6312   3.4684   0.8793   4.0189   0.9067  352.932   48.460  381.210   46.262 -28.27805 66.99682 
1 1 1   15   31   44 o  298.162   38.662   2.5388   0.5668   1.4267   0.7466   4.0523   0.8709  214.634   63.320  381.690   44.382 -167.0560 77.32465 
1 1 1   15   32    1 o  1027.92   34.187   27.570   1.8057   27.280   2.5890   27.844   2.5197  1022.38   49.255  1033.46   47.423 -11.08215 68.37353 
1 1 1   15   32    3 o  770.779   31.254   15.384   1.2330   14.681   1.6535   16.265   1.8506  751.339   42.806  790.219   45.551 -38.87915 62.50782 
1 1 1   15   32    5 o  807.209   31.389   16.981   1.2977   17.146   1.7654   16.786   1.9142  811.972   42.288  802.447   46.399 9.525024 62.77892 
1 1 1   15   32    7 o  675.056   37.699   12.522   1.2294   14.136   1.5643   9.9137   1.9881  737.323   41.265  612.790   63.104 124.5331 75.39857 
1 1 1   15   32    9 o  595.115   32.598   9.1430   0.9701   9.6638   1.5844   8.8307   1.2270  607.593   50.720  582.637   40.963 24.95544 65.19592 
1 1 1   15   32   11 o  526.720   31.888   7.1480   0.8565   6.0320   1.1460   8.5600   1.2891  480.516   46.390  572.924   43.763 -92.40829 63.77510 
1 1 1   15   32   13 o  421.419   35.473   4.7006   0.7608   4.0585   1.0962   5.2973   1.0568  392.677   54.297  450.160   45.662 -57.48264 70.94509 
1 1 1   15   32   15 o  1250.96   42.991   42.804   2.5116   38.276   4.4918   44.864   3.0294  1192.44   73.267  1309.49   44.997 -117.0466 85.98162 
1 1 1   15   32   17 o  653.420   44.637   11.295   1.4886   12.220   2.2756   10.603   1.9681  675.664   65.509  631.175   60.651 44.48938 89.27425 
1 1 1   15   32   19 o  580.413   32.924   8.8575   0.9824   8.7626   1.3801   8.9550   1.3987  577.279   46.501  583.547   46.621 -6.268250 65.84724 
1 1 1   15   32   21 o  424.841   33.554   4.7602   0.7327   4.6907   1.0214   4.8340   1.0516  421.723   47.108  427.958   47.795 -6.235107 67.10895 
1 1 1   15   32   23 o  252.631   49.187   1.8959   0.7049   2.5192   0.8950   0.8777   1.1439  301.392   59.868  203.869   78.060 97.52348 98.37489 
1 1 1   15   32   25 o  193.172   38.842   1.0292   0.4062   0.8998   0.5819   1.1523   0.5674  182.503   56.351  203.840   53.473 -21.33704 77.68446 
1 1 1   15   32   27 o  771.151   32.516   15.721   1.2857   14.658   1.7432   16.990   1.9041  742.884   45.640  799.418   46.327 -56.53436 65.03244 
1 1 1   15   32   29 o  167.647   36.696   0.7629   0.3531   0.8950   0.4756   0.6007   0.5270  179.891   49.754  155.402   53.953 24.48917 73.39164 
1 1 1   15   32   31 o  139.530   35.997   0.4408   0.3392   0.5484   0.4539   0.3048   0.5103  147.163   50.114  131.897   51.690 15.26695 71.99477 
1 1 1   15   32   33 o  549.862   43.912   8.8795   1.1373   6.8029   1.8828   10.072   1.4271  486.657   75.252  613.067   45.277 -126.4099 87.82310 
1 1 1   15   32   35 o  387.439   70.562   4.3943   1.3537   4.3943   1.3537   0.0000   0.0000  387.439   70.562  ?   ?       ?      ? 
1 1 1   15   32   37 o  400.093   40.788   4.3160   0.8142   5.1699   1.3631   3.8423   1.0152  427.179   62.066  373.007   52.938 54.17200 81.57615 
1 1 1   15   32   39 o  376.345   37.243   4.0658   0.6817   4.8006   0.9327   3.2228   0.9990  420.409   43.151  332.281   60.715 88.12753 74.48642 
1 1 1   15   32   41 o  268.991   40.408   2.1401   0.5418   2.3660   0.7585   1.9048   0.7742  285.862   53.580  252.120   60.501 33.74141 80.81587 
1 1 1   15   32   43 o  220.876   39.272   1.4594   0.4481   1.2390   0.6248   1.6930   0.6432  202.706   57.366  239.046   53.652 -36.33983 78.54497 
1 1 1   15   33    0 o  1902.59   49.439   95.614   4.7332   91.698   7.3387   98.403   6.1935  1864.80   76.842  1940.39   62.229 0.000000 0.000000 
1 1 1   15   33    2 o  1074.70   34.312   30.204   1.8928   29.867   2.7469   30.510   2.6119  1068.43   50.006  1080.97   46.997 -12.54077 68.62443 
1 1 1   15   33    4 o  1189.14   44.502   37.585   2.2910   37.765   2.6192   37.002   4.7265  1204.29   42.303  1174.00   78.308 30.28760 89.00333 
1 1 1   15   33    6 o  887.069   38.348   20.813   1.7357   23.068   2.4142   18.399   2.4972  938.578   50.030  835.560   58.132 103.0176 76.69576 
1 1 1   15   33    8 o  527.499   34.446   7.4456   0.8911   6.7020   1.4592   7.8879   1.1253  504.434   56.264  550.564   39.756 -46.13016 68.89244 
1 1 1   15   33   10 f  850.424   31.244   18.778   1.3621   17.203   1.8476   20.652   2.0158  811.575   44.281  889.273   44.091 -77.69794 62.48885 
1 1 1   15   33   12 o  724.657   44.436   14.043   1.4854   13.770   2.7814   14.152   1.7569  714.246   75.743  735.068   46.488 -20.82190 88.87193 
1 1 1   15   33   14 o  433.574   47.690   4.9556   1.0350   5.4035   1.6945   4.6890   1.3072  447.220   73.697  419.929   60.549 27.29166 95.38056 
1 1 1   15   33   16 o  174.949   38.457   0.8136   0.3831   0.8932   0.5078   0.7085   0.5837  181.608   51.831  168.289   56.827 13.31857 76.91418 
1 1 1   15   33   18 o  469.934   34.327   5.8420   0.8267   5.3821   1.1796   6.2857   1.1588  451.125   50.859  488.742   46.117 -37.61746 68.65421 
1 1 1   15   33   20 o  825.774   32.694   17.991   1.3872   18.120   1.9329   17.855   1.9919  829.215   45.339  822.334   47.115 6.880676 65.38703 
1 1 1   15   33   22 o  992.997   49.572   26.829   2.4759   26.081   3.1732   27.992   3.9585  981.464   62.887  1004.53   76.648 -23.06567 99.14487 
1 1 1   15   33   24 o  725.234   32.825   14.000   1.2190   14.679   1.6794   13.243   1.7721  745.105   43.840  705.364   48.867 39.74036 65.65018 
1 1 1   15   33   26 o  443.702   35.854   5.2808   0.7808   3.4306   1.0598   7.4775   1.1547  355.728   57.945  531.675   42.243 -175.9464 71.70875 
1 1 1   15   33   28 o  395.617   36.433   4.2909   0.7247   5.0224   0.9948   3.4639   1.0578  434.475   44.537  356.759   57.671 77.71573 72.86626 
1 1 1   15   33   30 o  652.837   35.863   11.924   1.1473   15.094   1.5741   8.3294   1.6759  754.528   40.577  551.145   59.145 203.3832 71.72553 
1 1 1   15   33   32 f  418.600   46.341   5.2079   0.8982   4.1148   1.4753   5.8517   1.1322  370.839   79.749  466.362   47.222 -95.52255 92.68114 
1 1 1   15   33   34 o  272.346   70.935   2.2063   1.0031   2.2063   1.0031   0.0000   0.0000  272.346   70.935  ?   ?       ?      ? 
1 1 1   15   33   36 o  232.129   39.371   1.5622   0.4635   1.6701   0.6263   1.4317   0.6891  242.409   51.821  221.849   59.286 20.56004 78.74177 
1 1 1   15   33   38 f  434.960   36.917   5.3930   0.7912   6.9102   1.1068   3.8070   1.1316  504.711   42.653  365.209   60.269 139.5027 73.83498 
1 1 1   15   33   40 o  419.612   34.881   4.8716   0.7469   4.1304   1.0133   5.7537   1.1053  383.525   51.389  455.698   47.179 -72.17303 69.76182 
1 1 1   15   33   42 o  273.114   37.183   2.0951   0.5084   1.1337   0.6661   3.4366   0.7868  193.892   60.362  352.336   43.437 -158.4439 74.36649 
1 1 1   15   34    1 o  1023.31   46.343   28.171   2.2103   28.670   2.6392   26.997   4.0446  1046.11   49.071  1000.51   78.629 45.60406 92.68512 
1 1 1   15   34    3 o  831.569   45.959   18.119   1.8094   17.714   2.1629   19.062   3.3029  821.498   51.210  841.640   76.331 -20.14209 91.91776 
1 1 1   15   34    5 o  376.546   48.489   3.3742   0.8532   2.7177   0.9979   5.1580   1.6450  314.657   63.866  438.435   72.978 -123.7773 96.97742 
1 1 1   15   34    7 f  682.970   47.053   12.697   1.4343   11.896   2.7889   12.985   1.6724  661.573   81.995  704.367   46.183 -42.79413 94.10693 
1 1 1   15   34    9 o  226.620   46.807   1.3722   0.5300   1.3640   1.0608   1.3749   0.6118  229.198   76.617  224.042   53.791 5.155426 93.61393 
1 1 1   15   34   11 o  620.622   46.681   9.9876   1.4502   11.723   2.4016   8.9916   1.8194  659.890   70.789  581.354   60.872 78.53564 93.36227 
1 1 1   15   34   13 o  582.152   38.337   8.8883   1.1412   8.2169   1.5199   9.7562   1.7278  557.541   53.022  606.763   55.387 -49.22253 76.67497 
1 1 1   15   34   15 o  794.782   33.529   16.634   1.3692   16.633   1.9713   16.635   1.9031  794.414   48.266  795.151   46.552 -0.7365112 67.05761 
1 1 1   15   34   17 o  293.654   38.034   2.3148   0.5583   2.8162   0.8220   1.8853   0.7608  326.422   48.979  260.885   58.200 65.53668 76.06728 
1 1 1   15   34   19 o  552.677   33.280   8.0752   0.9455   8.1053   1.3270   8.0441   1.3474  553.873   46.602  551.480   47.523 2.392883 66.55977 
1 1 1   15   34   21 o  631.205   44.234   9.9569   1.2582   9.1198   1.4397   12.662   2.5884  586.333   47.760  676.076   74.468 -89.74304 88.46790 
1 1 1   15   34   23 o  574.128   33.058   8.7385   0.9735   7.9407   1.3468   9.6113   1.4087  546.261   47.955  601.995   45.516 -55.73468 66.11601 
1 1 1   15   34   25 o  787.716   32.831   16.531   1.3270   16.677   1.8260   16.369   1.9318  792.315   44.825  783.116   47.981 9.199158 65.66173 
1 1 1   15   34   27 o  439.615   34.414   5.1026   0.7698   4.2026   1.0275   6.2539   1.1621  395.374   50.546  483.856   46.717 -88.48230 68.82832 
1 1 1   15   34   29 o  1056.74   32.785   30.106   1.7668   32.431   2.4203   27.453   2.5852  1103.98   42.641  1009.49   49.811 94.48340 65.56998 
1 1 1   15   34   31 o  394.719   50.426   5.0486   0.8940   3.0691   1.5342   6.0665   1.1001  313.731   90.264  475.707   44.982 -161.9759 100.8512 
1 1 1   15   34   33 o  449.745   48.231   5.4856   1.1152   5.4856   1.1152   0.0000   0.0000  449.745   48.231  ?   ?       ?      ? 
1 1 1   15   34   35 o  185.549   36.905   0.9757   0.3893   1.3760   0.5391   0.5394   0.5628  220.594   48.827  150.504   55.351 70.08952 73.80959 
1 1 1   15   34   37 o  228.821   38.226   1.4922   0.4789   2.2575   0.6881   0.7733   0.6669  286.988   46.636  170.653   60.582 116.3353 76.45289 
1 1 1   15   34   39 o  218.413   38.519   1.4049   0.4353   1.6646   0.6152   1.1444   0.6161  239.855   51.433  196.972   57.353 42.88309 77.03734 
1 1 1   15   34   41 o  187.453   41.041   1.0356   0.4396   1.2525   0.6411   0.8432   0.6038  203.641   58.278  171.265   57.802 32.37637 82.08159 
1 1 1   15   35    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   35    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   35    4 o  795.995   60.130   16.825   2.4608   0.0000   0.0000   16.825   2.4608  ?   ?   795.995   60.130      ?      ? 
1 1 1   15   35    6 o  696.527   50.409   13.244   1.7050   12.463   2.8777   13.667   2.1165  674.878   82.938  718.176   57.320 -43.29840 100.8187 
1 1 1   15   35    8 o  416.469   40.652   4.5697   0.8664   4.0183   1.1758   5.2248   1.2817  388.872   58.811  444.066   56.138 -55.19412 81.30313 
1 1 1   15   35   10 o  256.608   40.326   1.7967   0.5153   1.9688   0.7815   1.6642   0.6854  267.246   58.502  245.971   55.518 21.27522 80.65144 
1 1 1   15   35   12 o  297.006   40.570   2.4901   0.5985   1.4135   0.8522   3.5376   0.8406  226.967   67.818  367.045   44.546 -140.0780 81.13970 
1 1 1   15   35   14 o  155.359   35.382   0.6039   0.3452   0.2235   0.5173   0.9092   0.4634  128.333   51.473  182.385   48.560 -54.05185 70.76395 
1 1 1   15   35   16 o  409.748   35.802   4.4464   0.7535   4.6243   1.0946   4.2861   1.0389  417.433   51.002  402.063   50.257 15.37030 71.60330 
1 1 1   15   35   18 o  560.048   35.904   8.4863   1.0042   6.2555   1.4221   10.705   1.4183  482.752   57.297  637.345   43.284 -154.5930 71.80798 
1 1 1   15   35   20 o  517.138   46.172   6.9104   1.0882   6.4777   1.2586   8.1923   2.1662  493.193   49.635  541.082   77.871 -47.88889 92.34468 
1 1 1   15   35   22 o  144.064   36.480   0.4649   0.3670   0.0000   0.6091   0.7297   0.4598  123.680   53.162  164.448   49.968 -40.76705 72.95903 
1 1 1   15   35   24 o  665.114   33.811   11.877   1.1493   12.954   1.5982   10.723   1.6539  698.178   44.523  632.050   50.897 66.12787 67.62231 
1 1 1   15   35   26 f  220.263   39.974   1.3730   0.4654   1.7528   0.6546   0.9847   0.6619  250.699   52.471  189.827   60.320 60.87183 79.94872 
1 1 1   15   35   28 o  239.414   40.101   1.6114   0.4888   1.9653   0.7147   1.3004   0.6701  264.696   54.341  214.132   58.986 50.56374 80.20123 
1 1 1   15   35   30 o  237.902   51.611   1.5971   0.6850   2.0209   1.0788   1.3107   0.8866  260.608   75.897  215.197   69.960 45.41019 103.2220 
1 1 1   15   35   32 o  234.435   49.634   1.7138   0.6197   1.9116   0.6988   0.9854   1.3408  259.616   54.111  209.254   83.223 50.36188 99.26762 
1 1 1   15   35   34 o  213.609   36.694   1.3352   0.4305   1.8483   0.5784   0.6975   0.6447  261.688   42.988  165.531   59.479 96.15613 73.38703 
1 1 1   15   35   36 o  272.041   38.912   2.1405   0.5253   2.2909   0.7373   1.9854   0.7487  283.228   52.571  260.853   57.383 22.37482 77.82380 
1 1 1   15   35   38 o  340.439   38.951   3.3824   0.6458   4.2332   0.9091   2.5160   0.9175  392.057   45.104  288.822   63.517 103.2351 77.90223 
1 1 1   15   35   40 o  357.152   40.485   3.8686   0.6867   5.1823   0.9608   2.4973   0.9817  432.927   43.169  281.376   68.503 151.5510 80.96989 
1 1 1   15   36    1 o  1298.52   55.733   46.276   3.6858   53.010   5.2033   39.495   5.2217  1399.88   72.297  1197.16   84.838 202.7188 111.4650 
1 1 1   15   36    3 o  243.564   48.015   1.5121   0.5844   2.0584   1.0739   1.2822   0.6966  270.987   74.683  216.140   60.366 54.84744 96.02975 
1 1 1   15   36    5 o  739.182   44.573   14.165   1.5378   15.743   2.9113   13.554   1.8110  761.116   74.398  717.248   49.112 43.86737 89.14584 
1 1 1   15   36    7 o  969.340   42.489   25.335   1.7683   24.586   3.6690   25.561   2.0182  949.782   75.137  988.898   39.696 -39.11572 84.97871 
1 1 1   15   36    9 o  504.836   34.654   6.8675   0.8586   6.2048   1.4038   7.2635   1.0852  482.790   56.557  526.882   40.062 -44.09262 69.30785 
1 1 1   15   36   11 o  714.165   29.598   13.391   1.0826   13.232   1.5964   13.527   1.4731  709.567   43.761  718.763   39.863 -9.195435 59.19508 
1 1 1   15   36   13 o  964.473   31.658   24.477   1.5617   24.224   2.1006   24.790   2.3352  960.028   42.560  968.918   46.877 -8.889465 63.31519 
1 1 1   15   36   15 o  368.041   38.350   3.7239   0.6916   2.9640   0.9985   4.4249   0.9590  326.773   61.694  409.309   45.570 -82.53577 76.69981 
1 1 1   15   36   17 o  488.321   34.621   6.3595   0.8659   5.9534   1.2504   6.7337   1.2003  472.444   51.480  504.198   46.305 -31.75507 69.24139 
1 1 1   15   36   19 f  219.038   46.898   1.1270   0.5407   0.7850   0.6395   1.9843   1.0124  175.043   59.483  263.032   72.523 -87.98912 93.79633 
1 1 1   15   36   21 o  221.487   42.151   1.4682   0.5278   0.6243   0.8627   1.9729   0.6672  175.331   67.625  267.643   50.335 -92.31200 84.30104 
1 1 1   15   36   23 o  169.900   36.532   0.7682   0.3618   1.0644   0.5101   0.4685   0.5131  195.551   50.417  144.249   52.881 51.30281 73.06384 
1 1 1   15   36   25 o  431.501   34.963   4.9789   0.7722   4.3747   1.0555   5.6748   1.1328  402.891   50.956  460.111   47.887 -57.22061 69.92654 
1 1 1   15   36   27 o  502.180   34.505   6.8063   0.8872   6.9701   1.2113   6.6167   1.3030  509.895   46.207  494.465   51.256 15.43036 69.00942 
1 1 1   15   36   29 o  846.147   46.003   20.000   1.9945   22.361   2.9385   17.983   2.7159  893.370   63.978  798.923   66.121 94.44720 92.00610 
1 1 1   15   36   31 o  408.551   36.089   4.5130   0.7430   3.4210   1.0005   5.8557   1.1094  351.895   55.301  465.207   46.384 -113.3124 72.17784 
1 1 1   15   36   33 f  204.829   41.930   1.2416   0.4985   0.6558   0.7638   1.6761   0.6579  168.042   63.920  241.615   54.283 -73.57301 83.86001 
1 1 1   15   36   35 o  242.399   40.806   1.7274   0.5005   1.7858   0.6812   1.6588   0.7378  248.170   54.851  236.628   60.432 11.54240 81.61293 
1 1 1   15   36   37 o  103.562   30.281   0.1118   0.2634   0.1728   0.3762   0.0530   0.3690  108.201   43.720   98.923   41.909 9.277534 60.56217 
1 1 1   15   36   39 f  334.078   39.519   3.2671   0.6486   2.4488   0.8940   4.1766   0.9425  282.430   63.154  385.727   47.524 -103.2963 79.03794 
1 1 1   15   37    0 o  269.613  103.260   2.6394   1.3517   0.0000   0.0000   2.6394   1.3517  269.613  103.260  269.613  103.260 -0.000000 0.000000 
1 1 1   15   37    2 o  295.205   57.878   2.4199   0.9675   1.2927   1.3452   3.6278   1.3925  232.811   85.581  357.598   77.944 -124.7873 115.7551 
1 1 1   15   37    4 f  295.186   52.784   2.4918   0.7705   2.5776   0.9369   2.3124   1.3544  305.111   61.845  285.261   85.556 19.84998 105.5683 
1 1 1   15   37    6 o  251.112   47.900   1.6721   0.5523   1.6157   0.6231   1.8789   1.1924  242.654   51.538  259.569   80.756 -16.91541 95.80055 
1 1 1   15   37    8 o  595.250   34.238   9.3512   1.0108   9.4253   1.6651   9.3080   1.2719  594.946   54.438  595.554   41.540 -0.6076050 68.47690 
1 1 1   15   37   10 o  546.553   36.477   8.4299   0.9503   6.2759   1.5371   9.7624   1.2090  482.545   61.959  610.561   38.515 -128.0161 72.95370 
1 1 1   15   37   12 o  431.556   36.387   4.9412   0.8052   5.1510   1.1916   4.7649   1.0922  439.595   52.725  423.516   50.160 16.07816 72.77365 
1 1 1   15   37   14 f  258.021   41.421   1.8554   0.5365   1.9453   0.7791   1.7743   0.7398  263.955   58.907  252.086   58.248 11.86951 82.84248 
1 1 1   15   37   16 o  607.393   40.794   9.7184   1.2208   10.799   2.0845   9.1539   1.5062  628.903   64.469  585.884   50.003 43.01978 81.58710 
1 1 1   15   37   18 o  636.703   55.895   11.481   1.7836   11.586   2.2968   11.321   2.8309  647.236   69.022  626.170   87.937 21.06580 111.7894 
1 1 1   15   37   20 o  436.137   40.475   4.9531   0.8839   6.1160   1.4683   4.2923   1.1069  473.380   60.330  398.893   53.973 74.48657 80.94941 
1 1 1   15   37   22 o  201.127   36.115   1.1822   0.4568   0.0000   0.7494   1.8811   0.5762  135.951   58.702  266.304   42.086 -130.3536 72.22980 
1 1 1   15   37   24 o  425.521   39.870   4.7076   0.8473   5.9617   1.4203   4.0146   1.0558  466.186   59.258  384.856   53.357 81.33035 79.74004 
1 1 1   15   37   26 o  540.665   48.660   7.8806   1.3526   0.0000   0.0000   7.8806   1.3526  ?   ?   540.665   48.660      ?      ? 
1 1 1   15   37   28 o  500.283   61.586   6.9830   1.5840   0.0000   0.0000   6.9830   1.5840  ?   ?   500.283   61.586      ?      ? 
1 1 1   15   37   30 o  364.987   45.826   3.9835   0.7940   3.2425   1.2831   4.4433   1.0108  326.001   77.664  403.973   48.666 -77.97226 91.65176 
1 1 1   15   37   32 o  353.143   59.052   4.0787   1.0705   4.6301   1.3540   3.1592   1.7485  400.914   65.690  305.372   98.149 95.54178 118.1032 
1 1 1   15   37   34 f  531.721   41.335   7.9681   1.0988   8.4098   1.7867   7.6995   1.3934  537.711   64.628  525.731   51.552 11.98059 82.67061 
1 1 1   15   37   36 o  204.470   42.500   1.2928   0.5088   0.6856   0.8098   1.6889   0.6541  168.920   65.414  240.020   54.276 -71.10016 84.99970 
1 1 1   15   37   38 o  439.536   43.678   5.5101   0.9506   6.6685   1.6228   4.9050   1.1728  467.438   67.527  411.634   55.418 55.80435 87.35609 
1 1 1   15   38    1 o  362.708   39.305   3.5528   0.7037   4.4208   1.0260   2.7815   0.9671  408.670   48.831  316.745   61.604 91.92456 78.61020 
1 1 1   15   38    3 o  162.913   39.132   0.6601   0.3967   0.4910   0.5764   0.8123   0.5469  151.053   55.933  174.773   54.743 -23.71992 78.26411 
1 1 1   15   38    5 o  794.299   40.547   13.700   1.4437   10.818   1.6263   24.418   3.1359  638.742   49.523  949.855   64.215 -311.1123 81.09322 
1 1 1   15   38    7 o  294.967   49.628   2.6032   0.6762   2.8073   0.7729   1.9373   1.3961  325.930   46.127  264.003   87.886 61.92676 99.25591 
1 1 1   15   38    9 o  236.261   43.002   1.5254   0.5103   1.4207   0.6382   1.7112   0.8498  226.081   55.351  246.441   65.825 -20.35974 86.00433 
1 1 1   15   38   11 o  727.826   36.306   13.945   1.3153   13.412   1.6513   14.870   2.1754  712.054   45.108  743.599   56.901 -31.54584 72.61178 
1 1 1   15   38   13 o  1052.64   48.241   30.648   2.1201   30.818   2.3963   30.036   4.5488  1079.96   43.159  1025.31   86.291 54.65076 96.48258 
1 1 1   15   38   15 o  521.150   51.417   7.4877   1.0747   7.3889   1.2069   7.8658   2.3618  527.963   44.462  514.337   92.724 13.62592 102.8334 
1 1 1   15   38   17 o  1086.03   46.983   31.159   2.3661   29.393   2.7703   35.919   4.5487  1046.46   51.492  1125.59   78.602 -79.13269 93.96661 
1 1 1   15   38   19 o  313.011   54.250   2.4339   0.8748   1.3268   1.0638   4.7466   1.5375  221.689   76.674  404.334   76.767 -182.6450 108.4994 
1 1 1   15   38   21 o  470.194   46.169   6.5579   0.9959   4.9096   1.6188   7.5617   1.2633  408.430   79.954  531.958   46.193 -123.5281 92.33889 
1 1 1   15   38   23 o  345.243   44.760   3.2845   0.7469   3.8543   1.2272   2.9493   0.9413  366.650   67.591  323.836   58.698 42.81415 89.52065 
1 1 1   15   38   25 o  145.509   51.990   0.5100   0.4919   0.0000   0.0000   0.5100   0.4919  ?   ?   145.509   51.990      ?      ? 
1 1 1   15   38   27 o  760.324   45.216   16.327   1.7583   14.871   2.5196   17.709   2.4550  723.089   67.774  797.558   59.872 -74.46875 90.43257 
1 1 1   15   38   29 o  451.439   41.874   5.4579   0.9459   6.8825   1.5752   4.6545   1.1830  493.625   62.069  409.253   56.224 84.37247 83.74793 
1 1 1   15   38   31 o  222.802   53.578   1.4299   0.7048   1.3318   0.8646   1.6244   1.2170  212.917   69.080  232.687   81.917 -19.76993 107.1564 
1 1 1   15   38   33 o  207.810   44.148   1.0841   0.5156   2.0350   0.8829   0.5918   0.6352  259.083   66.076  156.538   58.566 102.5453 88.29517 
1 1 1   15   38   35 o  424.047   50.710   5.9714   0.9845   3.7946   1.5616   7.4072   1.2682  332.282   89.436  515.813   47.823 -183.5304 101.4191 
1 1 1   15   38   37 o  405.592   46.011   5.0842   0.8954   4.5699   1.4221   5.4221   1.1526  375.258   76.310  435.927   51.427 -60.66840 92.02178 
1 1 1   15   39    0 o  340.024   67.154   3.6722   1.0082   4.1621   1.5535   3.3156   1.3253  361.349   96.768  318.698   93.137 0.000000 0.000000 
1 1 1   15   39    2 o  352.730   40.267   3.4653   0.6935   2.7060   1.0118   4.1380   0.9523  310.217   65.493  395.243   46.866 -85.02597 80.53394 
1 1 1   15   39    4 o  414.849   37.172   4.6114   0.7892   4.3769   1.1522   4.8187   1.0833  404.000   55.474  425.698   49.495 -21.69855 74.34479 
1 1 1   15   39    6 o  228.210   38.374   1.4460   0.4432   1.4051   0.6113   1.4912   0.6436  224.919   53.622  231.502   54.908 -6.582397 76.74741 
1 1 1   15   39    8 o  466.679   30.878   5.7543   0.7402   5.7970   1.0704   5.7152   1.0247  468.098   44.480  465.260   42.840 2.838135 61.75535 
1 1 1   15   39   10 o  443.390   31.170   5.2186   0.7076   5.0031   1.0353   5.4076   0.9693  434.085   46.388  452.694   41.647 -18.60938 62.34057 
1 1 1   15   39   12 o  765.173   30.363   15.471   1.1924   15.832   1.7464   15.157   1.6320  772.993   43.944  757.353   41.913 15.63983 60.72681 
1 1 1   15   39   14 o  599.881   46.661   9.5048   1.2140   9.1517   1.3781   10.728   2.5652  586.581   45.696  613.181   81.368 -26.59949 93.32146 
1 1 1   15   39   16 o  395.428   55.617   4.1651   1.0987   2.4799   1.3836   7.0412   1.8076  288.429   86.466  502.427   69.977 -213.9980 111.2346 
1 1 1   15   39   18 o  505.495   60.559   8.4572   1.2933   9.7197   1.5415   5.4556   2.3768  601.455   49.850  409.534  110.383 191.9206 121.1179 
1 1 1   15   39   20 o  487.902   59.420   7.4908   1.2177   8.0271   1.4189   5.9921   2.3720  545.606   50.584  430.197  107.537 115.4095 118.8401 
1 1 1   15   39   22 o  681.132   47.068   11.982   1.4537   10.913   1.6696   15.331   2.9553  634.876   51.152  727.388   79.026 -92.51221 94.13632 
1 1 1   15   39   24 o  336.805   83.385   3.4719   1.4362   3.4719   1.4362   0.0000   0.0000  336.805   83.385  ?   ?       ?      ? 
1 1 1   15   39   26 o  671.237   60.779   14.812   1.6001   16.099   1.8522   11.026   3.1772  771.486   46.696  570.988  112.231 200.4980 121.5582 
1 1 1   15   39   28 o  260.236   48.435   2.2108   0.6772   2.6043   0.7894   1.1134   1.3181  308.354   49.795  212.118   83.092 96.23550 96.87003 
1 1 1   15   39   30 o  377.242   55.620   4.1501   1.0124   3.3661   1.2529   5.6246   1.7183  330.344   75.429  424.140   81.761 -93.79630 111.2404 
1 1 1   15   39   32 o  216.565   50.716   1.2932   0.5771   1.1828   0.6535   1.6841   1.2301  200.437   59.274  232.693   82.311 -32.25558 101.4325 
1 1 1   15   39   34 o  174.259   43.660   0.8828   0.4856   1.0844   0.5382   0.0000   1.1262  192.321   52.813  156.197   69.538 36.12411 87.32013 
1 1 1   15   39   36 o  228.362   47.640   1.8546   0.6223   2.1625   0.6930   0.5716   1.4147  272.009   51.436  184.714   80.204 87.29514 95.28017 
1 1 1   15   40    1 o  445.806   38.801   5.3518   0.8673   6.9360   1.2642   3.9430   1.1921  510.528   48.163  381.085   60.847 129.4430 77.60178 
1 1 1   15   40    3 o  199.056   41.093   1.0882   0.4495   1.2752   0.6478   0.9144   0.6244  213.667   57.640  184.445   58.585 29.22171 82.18638 
1 1 1   15   40    5 o  318.068   40.496   2.7382   0.6443   3.2824   0.9672   2.3042   0.8638  349.562   53.817  286.573   60.525 62.98920 80.99124 
1 1 1   15   40    7 o  177.075   36.956   0.8419   0.3651   0.6319   0.5021   1.0775   0.5318  157.141   52.710  197.010   51.814 -39.86908 73.91238 
1 1 1   15   40    9 o  584.748   31.175   9.0422   0.9352   9.4530   1.3785   8.6920   1.2729  596.667   44.938  572.830   43.220 23.83704 62.34930 
1 1 1   15   40   11 o  265.924   35.550   1.9482   0.4721   1.6525   0.6834   2.2181   0.6528  242.762   55.909  289.085   43.925 -46.32361 71.10033 
1 1 1   15   40   13 o  603.263   31.048   9.7046   0.9588   9.1496   1.3945   10.202   1.3204  585.745   46.307  620.780   41.371 -35.03540 62.09529 
1 1 1   15   40   15 o  151.406   42.434   0.4338   0.4340   0.5347   0.4818   0.0000   0.9988  147.555   51.570  155.257   67.403 -7.702133 84.86826 
1 1 1   15   40   17 f  225.303   41.865   1.4335   0.4893   1.5238   0.7319   1.3606   0.6580  231.312   60.758  219.294   57.614 12.01865 83.73093 
1 1 1   15   40   19 o  371.581   39.487   3.7645   0.7262   4.7267   1.0858   2.9856   0.9769  418.332   50.485  324.830   60.731 93.50250 78.97469 
1 1 1   15   40   21 o  366.704   50.920   3.9505   0.8473   3.7410   1.5833   4.0346   1.0030  347.544   88.404  385.865   50.560 -38.32062 101.8410 
1 1 1   15   40   23 o  688.136   39.427   12.978   1.3613   12.770   1.7423   13.304   2.1812  685.985   49.402  690.287   61.459 -4.302124 78.85310 
1 1 1   15   40   25 o  340.424   39.456   3.2861   0.6619   3.8964   0.9265   2.6497   0.9460  378.813   47.571  302.036   62.960 76.77667 78.91119 
1 1 1   15   40   27 o  254.131   40.540   1.8569   0.5216   1.3996   0.7146   2.3784   0.7631  218.720   61.163  289.543   53.225 -70.82362 81.07909 
1 1 1   15   40   29 o  184.934   50.269   0.8400   0.6766   1.0196   0.8776   0.5766   1.0626  192.675   69.377  177.194   72.766 15.48137 100.5385 
1 1 1   15   40   31 f  246.928   38.586   1.6787   0.4943   1.0499   0.6453   2.5718   0.7690  189.706   59.473  304.151   49.178 -114.4441 77.17196 
1 1 1   15   40   33 o  357.951   38.254   3.6568   0.7038   3.5522   0.9816   3.7675   1.0096  352.662   54.137  363.240   54.062 -10.57800 76.50827 
1 1 1   15   40   35 o  251.840   41.689   1.9779   0.5365   2.3704   0.7271   1.5089   0.7949  284.707   51.575  218.972   65.512 65.73555 83.37743 
1 1 1   15   41    0 f  113.410   48.748   0.3170   0.4933   0.2414   0.5935   0.4859   0.8875   99.702   60.929  127.119   76.113 -0.000000 0.000000 
1 1 1   15   41    2 o  197.868   42.289   1.0793   0.4674   1.1756   0.6684   0.9872   0.6538  205.334   59.724  190.403   59.887 14.93057 84.57835 
1 1 1   15   41    4 o  174.986   38.974   0.7812   0.4130   1.1904   0.5939   0.3980   0.5748  206.381   54.986  143.591   55.249 62.79034 77.94780 
1 1 1   15   41    6 o  384.774   34.406   3.9216   0.6748   3.2711   0.9118   4.7092   1.0033  349.156   50.795  420.391   46.421 -71.23505 68.81126 
1 1 1   15   41    8 o  267.188   38.997   2.0073   0.5170   2.1917   0.7105   1.8000   0.7535  281.944   50.891  252.431   59.104 29.51314 77.99458 
1 1 1   15   41   10 o  474.141   32.176   6.0302   0.7771   5.6342   1.1553   6.3574   1.0501  458.485   49.011  489.797   41.701 -31.31186 64.35119 
1 1 1   15   41   12 o  584.588   38.224   9.0361   1.0978   8.5370   1.3506   10.008   1.8847  565.228   46.477  603.949   60.698 -38.72131 76.44863 
1 1 1   15   41   14 o  180.391   41.237   0.8506   0.4972   1.3674   0.6304   0.0000   0.8088  220.144   55.667  140.637   60.855 79.50688 82.47469 
1 1 1   15   41   16 o  732.942   33.141   14.289   1.2435   13.072   1.6683   15.811   1.8653  698.368   46.464  767.517   47.271 -69.14899 66.28271 
1 1 1   15   41   18 o  326.071   52.645   3.7269   0.8389   1.5808   1.6839   4.4355   0.9676  245.721   94.560  406.421   46.306 -160.6997 105.2895 
1 1 1   15   41   20 o  536.344   48.307   7.6538   1.2884   11.003   2.1321   5.7271   1.6170  624.478   66.408  448.209   70.172 176.2684 96.61334 
1 1 1   15   41   22 o  628.774   39.679   10.883   1.2573   10.707   1.6223   11.148   1.9895  626.716   50.348  630.832   61.342 -4.116638 79.35812 
1 1 1   15   41   24 o  458.650   37.201   5.7849   0.8732   5.0875   1.2091   6.5450   1.2623  428.449   54.891  488.850   50.227 -60.40121 74.40237 
1 1 1   15   41   26 o  246.066   40.716   1.7627   0.5061   1.6838   0.7240   1.8380   0.7077  239.945   59.084  252.188   56.039 -12.24284 81.43269 
1 1 1   15   41   28 f  376.264   60.597   5.0484   1.1836   6.2016   1.4739   2.9547   1.9860  464.259   61.751  288.269  104.283 175.9895 121.1943 
1 1 1   15   41   30 o  195.889   40.759   1.1462   0.4414   1.2854   0.5754   0.9472   0.6881  209.644   53.276  182.135   61.701 27.50839 81.51884 
1 1 1   15   41   32 o  199.463   42.359   1.1932   0.4682   1.1331   0.6369   1.2639   0.6906  194.632   58.734  204.293   61.053 -9.661240 84.71810 
1 1 1   15   41   34 f  193.857   39.747   1.1431   0.4498   1.5944   0.6140   0.6202   0.6608  231.435   52.770  156.278   59.453 75.15677 79.49418 
1 1 1   15   42    1 o  279.526   42.420   2.2282   0.5906   1.9468   0.8670   2.4718   0.8067  260.767   64.921  298.285   54.619 -37.51752 84.84039 
1 1 1   15   42    3 o  319.009   42.270   2.8515   0.6658   2.9176   0.9850   2.7959   0.9035  321.616   61.819  316.403   57.666 5.212738 84.53944 
1 1 1   15   42    5 o  277.429   42.367   2.1932   0.5976   1.6886   0.8802   2.6247   0.8140  242.472   67.905  312.386   50.684 -69.91370 84.73476 
1 1 1   15   42    7 o  319.366   38.638   2.7740   0.6035   1.8812   0.8090   3.8945   0.9063  256.877   61.972  381.855   46.164 -124.9774 77.27613 
1 1 1   15   42    9 o  214.464   37.565   1.2876   0.4107   1.3298   0.6114   1.2530   0.5543  217.345   54.746  211.584   51.453 5.760544 75.13040 
1 1 1   15   42   11 o  321.101   44.694   3.1238   0.6771   3.6070   0.8406   2.2311   1.1426  367.669   44.471  274.532   77.541 93.13724 89.38888 
1 1 1   15   42   13 o  244.081   40.036   1.6936   0.4842   1.6360   0.7761   1.7304   0.6196  238.788   62.489  249.374   50.067 -10.58560 80.07221 
1 1 1   15   42   15 o  428.068   40.988   5.0484   0.8839   4.9837   1.3866   5.0926   1.1471  422.810   63.787  433.325   51.492 -10.51529 81.97641 
1 1 1   15   42   17 o  317.741   57.840   3.1138   0.9258   2.8794   1.5845   3.2353   1.1408  302.385   92.929  333.097   68.891 -30.71222 115.6792 
1 1 1   15   42   19 o  639.094   41.823   11.589   1.3365   12.957   1.7798   9.8210   2.0239  690.017   50.170  588.171   66.930 101.8456 83.64587 
1 1 1   15   42   21 o  359.055   41.300   3.7060   0.7257   2.9478   1.0555   4.3856   0.9993  316.687   66.922  401.422   48.419 -84.73532 82.60098 
1 1 1   15   42   23 o  226.301   41.094   1.4821   0.4830   1.7200   0.6983   1.2641   0.6687  243.921   56.752  208.680   59.450 35.24141 82.18891 
1 1 1   15   42   25 o  386.771   38.293   4.1778   0.7612   4.2293   1.0933   4.1293   1.0604  388.772   54.701  384.769   53.603 4.002289 76.58584 
1 1 1   15   42   27 o  352.329   55.163   3.4389   0.9894   2.0989   1.2121   6.1152   1.7129  255.414   81.680  449.244   74.164 -193.8298 110.3263 
1 1 1   15   42   29 o  486.069   38.605   6.7339   0.9326   4.7994   1.2827   8.9034   1.3584  405.355   61.549  566.784   46.615 -161.4291 77.20916 
1 1 1   15   42   31 o  199.912   41.881   1.1640   0.4770   0.7549   0.6444   1.6598   0.7094  165.805   59.477  234.020   58.980 -68.21519 83.76260 
1 1 1   15   42   33 o  264.352   42.171   2.1139   0.5592   1.7531   0.7475   2.5726   0.8428  237.520   60.918  291.185   58.331 -53.66507 84.34135 
1 1 1   15   43    0 o  364.708   71.088   4.2157   1.1317   5.1028   1.8344   3.6705   1.4380  396.733  104.089  332.684   96.847 0.000000 0.000000 
1 1 1   15   43    2 o  163.517   39.869   0.6671   0.4211   0.3681   0.6277   0.9119   0.5679  145.019   57.173  182.016   55.583 -36.99713 79.73868 
1 1 1   15   43    4 o  358.153   40.442   3.5168   0.7215   4.2140   1.0667   2.9289   0.9795  394.580   52.582  321.726   61.460 72.85419 80.88403 
1 1 1   15   43    6 o  194.936   42.607   1.0634   0.4787   0.7987   0.7246   1.2685   0.6377  178.053   63.153  211.820   57.212 -33.76741 85.21470 
1 1 1   15   43    8 o  314.950   50.490   2.8722   0.7107   2.8977   0.8120   2.7889   1.4692  328.299   48.111  301.602   88.783 26.69632 100.9806 
1 1 1   15   43   10 o  262.906   48.847   1.9159   0.6717   1.3808   0.8667   2.7208   1.0630  220.209   68.904  305.603   69.256 -85.39442 97.69436 
1 1 1   15   43   12 o  720.411   44.415   13.327   1.3769   16.662   3.0071   12.442   1.5488  759.004   77.061  681.819   44.184 77.18530 88.82922 
1 1 1   15   43   14 o  324.322   48.718   3.0975   0.8082   2.0720   1.1482   4.1045   1.1378  262.775   78.766  385.870   57.355 -123.0949 97.43531 
1 1 1   15   43   16 o  227.357   44.584   1.4695   0.5445   1.1425   0.7342   1.8690   0.8116  201.018   63.496  253.696   62.604 -52.67827 89.16834 
1 1 1   15   43   18 o  190.856   42.089   1.0273   0.4558   1.0129   0.6902   1.0384   0.6070  190.338   61.717  191.374   57.246 -1.035828 84.17877 
1 1 1   15   43   20 o  153.115   36.700   0.6099   0.3656   0.2255   0.5809   0.8619   0.4704  131.316   53.851  174.913   49.877 -43.59689 73.40011 
1 1 1   15   43   22 o  124.777   35.373   0.2460   0.3477   0.1262   0.5181   0.3442   0.4691  119.676   50.123  129.879   49.925 -10.20300 70.74506 
1 1 1   15   43   24 o  147.583   34.054   0.5772   0.3270   0.1337   0.5157   0.8756   0.4229  119.527   50.030  175.640   46.212 -56.11277 68.10699 
1 1 1   15   43   26 o  364.592   62.531   4.3266   1.1329   3.9186   1.4320   5.0091   1.8521  348.202   81.444  380.982   94.909 -32.78070 125.0627 
1 1 1   15   43   28 o  203.686   42.814   1.2434   0.4806   1.3209   0.7038   1.1756   0.6579  209.050   61.424  198.321   59.660 10.72870 85.62827 
1 1 1   15   43   30 o  225.253   44.619   1.5729   0.5362   1.5533   0.7305   1.5958   0.7896  224.528   61.480  225.978   64.680 -1.450256 89.23741 
1 1 1   15   44    1 o  667.465   38.129   12.140   1.2969   14.195   1.8647   10.215   1.8050  724.819   50.040  610.112   57.544 114.7067 76.25771 
1 1 1   15   44    3 o  344.758   53.556   3.8414   0.8814   2.5117   1.6095   4.4109   1.0533  285.816   94.326  403.701   50.750 -117.8847 107.1118 
1 1 1   15   44    5 o  387.373   54.816   4.3801   0.9857   4.3503   1.1789   4.4493   1.7973  397.873   57.630  376.873   93.262 21.00015 109.6314 
1 1 1   15   44    7 o  301.204   88.863   2.8106   1.4704   2.8106   1.4704   0.0000   0.0000  301.204   88.863  ?   ?       ?      ? 
1 1 1   15   44    9 o  806.589   53.949   19.169   2.1156   17.479   3.4910   20.149   2.6595  761.348   89.187  851.830   60.727 -90.48163 107.8985 
1 1 1   15   44   11 o  280.394   47.191   2.3358   0.6846   1.6512   0.9849   2.9756   0.9522  237.203   73.325  323.584   59.425 -86.38144 94.38213 
1 1 1   15   44   13 o  121.840   33.602   0.2698   0.3034   0.3002   0.4088   0.2326   0.4526  122.481   46.721  121.199   48.306 1.282150 67.20364 
1 1 1   15   44   15 o  413.741   35.546   4.6087   0.7423   5.0258   1.1857   4.3398   0.9518  427.041   54.006  400.441   46.232 26.59961 71.09192 
1 1 1   15   44   17 o  380.469   40.005   3.9938   0.7515   5.1389   1.1416   3.1185   0.9982  432.426   51.351  328.511   61.356 103.9154 80.00935 
1 1 1   15   44   19 f  346.212   42.317   3.4829   0.7213   2.7692   1.0397   4.1450   1.0014  304.304   68.149  388.120   50.185 -83.81564 84.63330 
1 1 1   15   44   21 o  296.165   55.143   2.9589   0.8571   3.3266   0.9960   1.9095   1.6824  343.702   56.364  248.628   94.796 95.07385 110.2867 
1 1 1   15   44   23 o  155.879   38.642   0.6400   0.3835   0.5825   0.5449   0.6964   0.5397  151.527   54.653  160.230   54.644 -8.702667 77.28481 
1 1 1   15   44   25 o  160.568   45.203   0.5737   0.5246   0.7277   0.5907   0.0000   1.1406  163.518   57.104  157.618   70.087 5.900391 90.40512 
1 1 1   15   44   27 o  152.877   38.158   0.6005   0.3724   0.8043   0.5754   0.4536   0.4885  168.133   56.427  137.621   51.383 30.51184 76.31637 
1 1 1   15   44   29 o  741.818   37.376   15.864   1.4254   15.632   2.0032   16.102   2.0286  736.237   52.921  747.398   52.794 -11.16180 74.75188 
1 1 1   15   45    0 f  245.832   92.874   2.2301   1.1000   2.2301   1.1000   0.0000   0.0000  245.832   92.874  245.832   92.874 -0.000000 0.000000 
1 1 1   15   45    2 o  229.551   75.045   1.5229   1.0196   1.5229   1.0196   0.0000   0.0000  229.551   75.045  ?   ?       ?      ? 
1 1 1   15   45    4 o  696.666   79.124   14.233   2.8340   14.233   2.8340   0.0000   0.0000  696.666   79.124  ?   ?       ?      ? 
1 1 1   15   45    6 o  177.931   68.137   0.7113   0.8716   0.7113   0.8716   0.0000   0.0000  177.931   68.137  ?   ?       ?      ? 
1 1 1   15   45    8 o  280.610   47.155   2.2742   0.6804   1.6310   0.9189   3.0547   1.0122  235.458   70.438  325.761   62.714 -90.30322 94.31072 
1 1 1   15   45   10 o  648.516   38.309   11.481   1.2707   12.593   1.9199   10.614   1.6952  675.315   55.297  621.717   53.034 53.59784 76.61829 
1 1 1   15   45   12 o  394.379   42.573   4.6556   0.7792   3.4583   1.2422   5.4322   1.0005  339.580   73.300  449.178   43.322 -109.5981 85.14535 
1 1 1   15   45   14 o  154.817   38.274   0.5531   0.3705   0.8841   0.6097   0.3592   0.4665  178.475   58.014  131.158   49.939 47.31633 76.54732 
1 1 1   15   45   16 o  360.903   33.182   3.5505   0.6149   3.7993   0.8836   3.3169   0.8564  373.556   46.006  348.250   47.830 25.30627 66.36418 
1 1 1   15   45   18 o  401.874   37.662   4.4650   0.7658   3.5020   1.0389   5.6105   1.1331  352.279   57.363  451.468   48.817 -99.18948 75.32341 
1 1 1   15   45   20 o  252.012   42.762   1.8822   0.5507   1.5581   0.7682   2.2247   0.7897  228.025   63.293  275.998   57.519 -47.97275 85.52393 
1 1 1   15   45   22 o  286.303   43.767   2.4231   0.6245   2.8488   0.9337   2.0786   0.8400  310.082   60.741  262.524   63.030 47.55817 87.53395 
1 1 1   15   45   24 o  527.157   66.156   9.5140   1.6552   9.6820   2.0742   9.2192   2.7466  562.014   71.784  492.300  111.147 69.71405 132.3124 
1 1 1   15   45   26 o  344.039   40.378   3.4595   0.6980   3.8082   1.0295   3.1629   0.9495  362.885   55.183  325.192   58.961 37.69330 80.75632 
1 1 1   15   45   28 o  210.519   38.321   1.2596   0.4771   2.2960   0.7058   0.3879   0.6474  279.772   50.950  141.266   57.256 138.5052 76.64248 
1 1 1   15   46    1 o  214.310   55.991   0.9466   0.8804   2.1513   1.3273   0.0000   1.1766  264.209   85.576  164.411   72.226 99.79854 111.9811 
1 1 1   15   46    3 o  485.873   67.045   7.5608   1.6282   9.4822   2.3098   5.6633   2.2954  565.001   79.517  406.745  107.967 158.2554 134.0894 
1 1 1   15   46    5 o  374.116   56.854   4.7507   0.9924   3.0547   1.8615   5.4243   1.1731  303.238  101.491  444.993   51.275 -141.7550 113.7080 
1 1 1   15   46    7 o  163.807   41.510   0.6620   0.4776   0.0000   0.8246   0.9962   0.5859  140.097   61.031  187.517   56.280 -47.41977 83.01936 
1 1 1   15   46    9 o  167.222   40.144   0.7246   0.4342   0.3447   0.6405   1.0477   0.5907  142.826   57.278  191.618   56.262 -48.79166 80.28761 
1 1 1   15   46   11 o  690.388   36.800   13.257   1.2529   12.733   2.0543   13.568   1.5810  672.221   59.441  708.555   43.401 -36.33374 73.59944 
1 1 1   15   46   13 o  588.619   33.844   9.6071   1.0047   7.7094   1.4381   11.416   1.4042  526.931   53.083  650.307   41.998 -123.3757 67.68818 
1 1 1   15   46   15 o  662.153   32.698   12.025   1.1086   11.481   1.6156   12.509   1.5241  645.818   48.658  678.488   43.691 -32.66992 65.39508 
1 1 1   15   46   17 o  409.239   36.583   4.6860   0.7211   6.4191   1.0662   3.2252   0.9789  485.886   42.680  332.592   59.427 153.2938 73.16521 
1 1 1   15   46   19 o  164.884   40.151   0.7298   0.4166   0.5592   0.5777   0.9146   0.6013  151.085   55.983  178.683   57.569 -27.59802 80.30107 
1 1 1   15   46   21 o  197.521   42.849   1.1157   0.4847   1.5474   0.7350   0.7835   0.6447  226.100   61.571  168.942   59.607 57.15846 85.69749 
1 1 1   15   46   23 o  191.255   51.339   0.9447   0.6475   0.7705   0.7717   1.3589   1.1899  171.061   64.443  211.449   79.938 -40.38814 102.6788 
1 1 1   15   46   25 o  164.736   39.198   0.7830   0.3979   0.6098   0.6080   0.9128   0.5261  153.704   57.339  175.768   53.461 -22.06494 78.39562 
1 1 1   15   47    0 o  169.487   60.150   1.2176   0.6977   0.5561   1.2747   1.5006   0.8336  141.610   87.799  197.363   82.241 0.000000 0.000000 
1 1 1   15   47    2 o  337.937   41.972   3.2737   0.7058   3.7857   0.9955   2.7562   1.0009  370.319   52.289  305.556   65.670 64.76291 83.94447 
1 1 1   15   47    4 f  232.408   44.511   1.6026   0.5641   1.0919   0.8120   2.0790   0.7841  197.042   67.026  267.774   58.586 -70.73192 89.02158 
1 1 1   15   47    6 o  171.355   41.234   0.7876   0.4313   0.8654   0.6581   0.7290   0.5711  177.774   60.343  164.937   56.210 12.83743 82.46732 
1 1 1   15   47    8 o  874.659   34.670   20.899   1.5540   19.596   2.0972   22.486   2.3142  845.474   48.248  903.843   49.802 -58.36877 69.34020 
1 1 1   15   47   10 o  443.526   36.187   5.4623   0.8202   5.6215   1.1136   5.2734   1.2127  452.608   47.858  434.445   54.292 18.16354 72.37447 
1 1 1   15   47   12 o  271.426   38.495   2.1223   0.5174   2.1186   0.7588   2.1255   0.7073  270.156   56.451  272.695   52.352 -2.538849 76.98936 
1 1 1   15   47   14 o  410.794   36.359   4.6043   0.7588   5.4234   1.1897   4.0425   0.9852  440.194   52.568  381.393   50.243 58.80084 72.71707 
1 1 1   15   47   16 o  423.989   33.984   4.9649   0.7393   5.2747   1.0892   4.7003   1.0066  435.855   48.606  412.123   47.509 23.73273 67.96835 
1 1 1   15   47   18 o  453.381   33.881   5.7143   0.7892   5.9232   1.1433   5.5242   1.0907  461.056   48.230  445.706   47.598 15.34955 67.76208 
1 1 1   15   47   20 o  340.489   39.160   3.3700   0.6671   3.4583   0.9111   3.2679   0.9795  349.808   50.662  331.170   59.727 18.63770 78.31921 
1 1 1   15   47   22 o  595.308   61.639   11.580   1.8246   10.309   2.2700   13.900   3.0668  564.990   78.148  625.626   95.344 -60.63599 123.2790 
1 1 1   15   47   24 o  429.401   43.637   5.6427   0.9234   4.8079   1.3388   6.4001   1.2752  388.984   69.496  469.818   52.793 -80.83377 87.27411 
1 1 1   15   48    1 o  291.757   46.179   2.5583   0.7094   1.5467   1.0031   3.5708   1.0035  226.363   74.454  357.151   54.650 -130.7877 92.35828 
1 1 1   15   48    3 o  225.947   44.210   1.5203   0.5362   1.2784   0.7690   1.7491   0.7480  208.331   64.856  243.563   60.099 -35.23245 88.42046 
1 1 1   15   48    5 o  144.792   38.577   0.4631   0.3888   0.5980   0.5950   0.3627   0.5135  155.464   56.952  134.121   52.050 21.34334 77.15405 
1 1 1   15   48    7 o  330.531   43.855   3.1929   0.7231   3.0887   1.0860   3.2760   0.9691  319.913   68.116  341.150   55.255 -21.23676 87.70911 
1 1 1   15   48    9 o  490.375   35.986   6.7056   0.9047   6.9046   1.2476   6.4851   1.3137  499.739   48.559  481.010   53.122 18.72946 71.97120 
1 1 1   15   48   11 o  279.030   41.702   2.5324   0.5970   1.1858   0.9393   3.4452   0.7733  202.374   71.889  355.685   42.286 -153.3104 83.40314 
1 1 1   15   48   13 o  433.787   33.189   5.1672   0.7351   6.0726   1.0863   4.4025   0.9983  469.842   44.973  397.733   48.821 72.10901 66.37815 
1 1 1   15   48   15 o  310.684   37.442   2.7836   0.5791   2.4615   0.8354   3.0814   0.8033  288.263   58.371  333.104   46.909 -44.84055 74.88367 
1 1 1   15   48   17 o  637.337   33.490   11.422   1.0882   10.267   1.5780   12.469   1.5027  602.390   50.953  672.284   43.476 -69.89453 66.98003 
1 1 1   15   48   19 o  365.414   37.709   3.8318   0.7079   3.6871   0.9779   3.9912   1.0261  358.359   53.074  372.469   53.583 -14.10986 75.41900 
1 1 1   15   48   21 o  258.706   55.628   2.4819   0.8398   2.8245   0.9658   1.4201   1.7004  300.938   64.372  216.474   90.742 84.46436 111.2564 
1 1 1   15   49    0 o  235.374   72.036   2.2877   0.8953   2.3328   1.3587   2.2530   1.1902  233.913  105.400  236.835   98.223 0.000000 0.000000 
1 1 1   15   49    2 o  299.080   46.883   2.6977   0.7026   2.3805   0.9674   3.0520   1.0222  278.868   68.067  319.291   64.489 -40.42307 93.76532 
1 1 1   15   49    4 o  228.734   47.819   1.7575   0.6469   0.5593   1.2769   2.1713   0.7503  184.292   78.013  273.177   55.321 -88.88475 95.63732 
1 1 1   15   49    6 o  231.544   51.744   1.6470   0.6502   1.6129   1.2537   1.6595   0.7605  228.279   82.814  234.809   62.060 -6.530197 103.4876 
1 1 1   15   49    8 o  167.780   42.519   0.7195   0.4568   0.9573   0.7372   0.5712   0.5821  183.675   63.810  151.885   56.213 31.79028 85.03893 
1 1 1   15   49   10 o  218.281   41.835   1.4280   0.4823   1.5401   0.6811   1.3154   0.6829  227.148   58.092  209.415   60.216 17.73273 83.66968 
1 1 1   15   49   12 o  433.621   34.838   5.2651   0.7755   5.4542   1.1341   5.0990   1.0629  440.303   50.099  426.939   48.423 13.36469 69.67549 
1 1 1   15   49   14 o  258.401   38.464   1.9426   0.5170   3.0179   0.7647   1.0374   0.7017  329.636   45.123  187.166   62.305 142.4707 76.92820 
1 1 1   15   49   16 o  165.332   38.916   0.7812   0.3896   0.6668   0.5533   0.8937   0.5486  156.202   55.211  174.462   54.860 -18.26036 77.83219 
1 1 1   15   49   18 o  241.020   46.666   1.9462   0.6053   2.2295   0.7441   1.3918   1.0409  273.275   54.870  208.765   75.500 64.51015 93.33257 
1 1 1   15   50    1 o  309.819   46.541   2.9284   0.7184   3.0595   1.0283   2.8034   1.0041  317.209   65.234  302.429   66.400 14.77963 93.08282 
1 1 1   15   50    3 o  289.182   47.788   2.5818   0.7038   2.0529   0.9738   3.1605   1.0185  254.657   71.462  323.706   63.466 -69.04901 95.57638 
1 1 1   15   50    5 o  280.112   45.674   2.4148   0.6451   2.1852   0.9383   2.6207   0.8885  264.374   68.483  295.852   60.453 -31.47800 91.34856 
1 1 1   15   50    7 o  206.286   45.028   1.2978   0.5305   1.1027   0.7690   1.4750   0.7327  192.703   65.229  219.870   62.090 -27.16635 90.05577 
1 1 1   15   50    9 o  499.151   41.779   7.3860   1.0500   6.2311   1.5421   8.3843   1.4337  454.784   65.952  543.518   51.306 -88.73367 83.55857 
1 1 1   15   50   11 o  204.144   40.658   1.2714   0.4682   1.6935   0.6414   0.7897   0.6852  239.183   53.496  169.106   61.241 70.07761 81.31580 
1 1 1   15   50   13 o  355.905   38.744   3.7494   0.6781   3.1363   0.9846   4.3025   0.9351  320.477   61.999  391.333   46.480 -70.85654 77.48715 
1 1 1   15   50   15 o  225.823   40.814   1.5867   0.4929   1.0731   0.7116   2.0603   0.6833  187.708   62.753  263.938   52.205 -76.22937 81.62885 
1 1 1   15   51    0 o  218.658   72.722   2.1687   0.9462   2.4082   1.2389   1.8333   1.4659  241.162  100.236  196.154  105.389 -0.000000 0.000000 
1 1 1   15   51    2 o  275.319   47.549   2.3823   0.6668   2.3935   0.9623   2.3719   0.9249  275.142   68.335  275.495   66.136 -0.3525696 95.09838 
1 1 1   15   51    4 o  419.586   45.960   5.3764   0.9522   4.4613   1.3484   6.2865   1.3447  374.307   72.689  464.864   56.265 -90.55652 91.92032 
1 1 1   15   51    6 o  476.550   42.260   6.6915   1.0313   7.0692   1.5419   6.3857   1.3872  486.686   61.620  466.414   57.850 20.27258 84.52068 
1 1 1   15   51    8 o  742.681   40.887   16.310   1.5482   15.438   2.2891   17.046   2.1019  717.072   62.092  768.291   53.212 -51.21906 81.77357 
1 1 1   15   51   10 o  248.624   43.554   1.9396   0.5539   2.0824   0.7393   1.7569   0.8363  262.696   56.420  234.551   66.366 28.14442 87.10723 
1 1 1   15   52    1 o  217.658   46.278   1.4875   0.5610   1.7706   0.8357   1.2551   0.7569  235.080   66.282  200.238   64.600 34.84204 92.55511 
1 1 1   16    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0    4 o  1400.16   69.963   51.184   5.0077   0.0000   0.0000   51.184   5.0077  1400.16   69.963  1400.16   69.963 -0.000000 0.000000 
1 1 1   16    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0    8 f  368.076   62.491   3.7861   1.0802   0.0000   0.0000   3.7861   1.0802  368.076   62.491  368.076   62.491 0.000000 0.000000 
1 1 1   16    0   10 o  1176.80   41.053   35.718   2.4562   38.653   3.7210   33.452   3.2697  1219.22   59.688  1134.37   56.381 0.000000 0.000000 
1 1 1   16    0   12 o  834.058   40.393   18.154   1.7109   17.476   2.3433   18.928   2.5039  817.378   56.378  850.739   57.862 -0.000000 0.000000 
1 1 1   16    0   14 o  2070.37   39.302  110.849   4.1732  106.901   5.9441  114.685   5.8603  2033.66   56.952  2107.09   54.177 0.000000 0.000000 
1 1 1   16    0   16 o  2567.49   38.856  170.148   5.1235  171.834   7.2904  168.503   7.2019  2580.05   55.018  2554.92   54.885 -0.000000 0.000000 
1 1 1   16    0   18 o   98.525   38.505   0.3424   0.2822   0.3381   0.3703   0.3483   0.4357   96.704   52.646  100.346   56.205 0.000000 0.000000 
1 1 1   16    0   20 o  1193.62   39.614   37.015   2.4161   38.489   3.3925   35.497   3.4419  1218.24   54.412  1169.00   57.587 0.000000 0.000000 
1 1 1   16    0   22 o  1581.38   56.517   64.751   4.5817   0.0000   0.0000   64.751   4.5817  1581.38   56.517  1581.38   56.517 0.000000 0.000000 
1 1 1   16    0   24 o  1161.26   40.306   35.120   2.3870   32.548   3.3917   37.644   3.3601  1118.21   59.379  1204.31   54.521 -0.000000 0.000000 
1 1 1   16    0   26 o  854.479   40.863   19.108   1.7761   19.105   2.5319   19.111   2.4921  854.277   58.270  854.681   57.305 -0.000000 0.000000 
1 1 1   16    0   28 o  947.876   40.886   23.496   1.9689   21.261   2.7648   25.795   2.8044  900.936   60.311  994.815   55.220 0.000000 0.000000 
1 1 1   16    0   30 o  1833.66   40.544   87.261   3.8130   86.650   5.4363   87.853   5.3496  1827.12   58.004  1840.20   56.665 -0.000000 0.000000 
1 1 1   16    0   32 o  912.612   42.471   22.058   1.9491   25.473   2.7417   18.569   2.7716  987.283   54.391  837.941   65.245 0.000000 0.000000 
1 1 1   16    0   34 o  462.442   65.451   5.8858   1.4662   5.8858   1.4662   0.0000   0.0000  462.442   65.451  462.442   65.451 -0.000000 0.000000 
1 1 1   16    0   36 f  451.103   48.473   5.7184   1.0152   6.7516   1.4347   4.6825   1.4366  499.654   57.871  402.553   77.778 0.000000 0.000000 
1 1 1   16    0   38 o  526.152   45.004   7.5561   1.1609   8.4836   1.6659   6.6804   1.6188  560.762   59.298  491.543   67.713 -0.000000 0.000000 
1 1 1   16    0   40 o   90.350   53.399   0.2428   0.4265   0.2428   0.4265   0.0000   0.0000   90.350   53.399   90.350   53.399 0.000000 0.000000 
1 1 1   16    0   42 o  755.023   61.135   15.323   2.3373   0.0000   0.0000   15.323   2.3373  755.023   61.135  755.023   61.135 -0.000000 0.000000 
1 1 1   16    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0   46 o  216.081   81.230   1.6848   0.8436   1.6848   0.8436   0.0000   0.0000  216.081   81.230  216.081   81.230 0.000000 0.000000 
1 1 1   16    0   48 o  994.005   61.366   26.724   3.1087   0.0000   0.0000   26.724   3.1087  994.005   61.366  994.005   61.366 -0.000000 0.000000 
1 1 1   16    0   50 o  150.958   73.771   0.9200   0.6767   0.0000   0.0000   0.9200   0.6767  150.958   73.771  150.958   73.771 -0.000000 0.000000 
1 1 1   16    0   52 o   78.254   47.341   0.1657   0.3505   0.1657   0.3505   0.0000   0.0000   78.254   47.341   78.254   47.341 0.000000 0.000000 
1 1 1   16    0   54 o   79.358   47.376   0.1903   0.3418   0.1903   0.3418   0.0000   0.0000   79.358   47.376   79.358   47.376 0.000000 0.000000 
1 1 1   16    1    1 o  650.115   49.574   11.109   1.6414   12.893   2.3294   9.3484   2.3132  703.108   64.439  597.123   75.351 105.9849 99.14727 
1 1 1   16    1    3 o  747.741   46.792   14.591   1.7962   15.637   2.5612   13.578   2.5197  774.422   64.328  721.059   67.969 53.36316 93.58363 
1 1 1   16    1    5 o  838.586   46.525   18.206   2.0059   18.206   2.0059   0.0000   0.0000  838.586   46.525  ?   ?       ?      ? 
1 1 1   16    1    7 o  2228.06   44.839  129.864   5.0530  133.363   6.6321  125.022   7.8015  2266.63   56.912  2189.48   69.305 77.15039 89.67815 
1 1 1   16    1    9 o  987.783   34.748   25.578   1.6879   24.048   2.7877   26.464   2.1209  963.159   56.296  1012.41   40.748 -49.24695 69.49527 
1 1 1   16    1   11 o  164.235   27.838   0.6895   0.2533   0.3108   0.3488   1.1117   0.3683  120.801   43.702  207.670   34.496 -86.86853 55.67663 
1 1 1   16    1   13 f  1055.41   27.875   28.715   1.5123   27.951   2.1182   29.508   2.1597  1041.10   39.574  1069.73   39.269 -28.62878 55.75081 
1 1 1   16    1   15 o  1134.54   27.625   33.190   1.6085   30.662   2.2556   35.806   2.2945  1090.48   40.233  1178.60   37.866 -88.12549 55.24967 
1 1 1   16    1   17 o  1422.71   27.518   52.198   2.0117   54.183   2.8443   50.211   2.8457  1449.87   38.157  1395.56   39.661 54.31360 55.03627 
1 1 1   16    1   19 o  1054.78   27.635   28.686   1.4984   29.203   2.1183   28.168   2.1199  1064.32   38.711  1045.24   39.449 19.08386 55.27010 
1 1 1   16    1   21 o  362.917   58.031   3.4092   1.0828   3.4092   1.0828   0.0000   0.0000  362.917   58.031  ?   ?       ?      ? 
1 1 1   16    1   23 o  1132.82   34.369   32.983   1.8869   33.705   3.2849   32.628   2.3051  1141.04   55.996  1124.61   39.867 16.43054 68.73819 
1 1 1   16    1   25 o  304.707   31.211   2.4421   0.4695   1.9242   0.6530   2.9963   0.6755  268.648   49.089  340.766   38.558 -72.11786 62.42146 
1 1 1   16    1   27 o  1208.37   28.460   37.752   1.7650   35.131   2.4918   40.391   2.5004  1166.04   41.565  1250.69   38.886 -84.64819 56.91934 
1 1 1   16    1   29 o  490.463   29.123   6.2257   0.7335   6.5425   1.0352   5.9062   1.0396  503.086   40.024  477.839   42.316 25.24683 58.24594 
1 1 1   16    1   31 o  1354.56   28.704   47.522   1.9989   47.446   2.8318   47.598   2.8221  1353.45   40.696  1355.66   40.490 -2.208984 57.40739 
1 1 1   16    1   33 o  194.080   59.561   0.9907   0.6512   0.9907   0.6512   0.0000   0.0000  194.080   59.561  ?   ?       ?      ? 
1 1 1   16    1   35 o  438.342   29.813   5.0229   0.6676   5.6681   0.9438   4.3769   0.9443  466.991   39.310  409.693   44.833 57.29761 59.62592 
1 1 1   16    1   37 o  418.496   30.382   4.5744   0.6536   4.6426   0.9350   4.5092   0.9140  421.519   43.145  415.473   42.788 6.045959 60.76424 
1 1 1   16    1   39 o  368.533   36.469   3.5321   0.6615   3.3903   0.8173   3.8012   1.1261  359.363   44.239  377.704   57.991 -18.34128 72.93871 
1 1 1   16    1   41 o  910.964   36.503   22.101   1.6119   22.145   1.9791   22.015   2.7781  917.556   41.953  904.372   59.748 13.18427 73.00620 
1 1 1   16    1   43 f  656.604   60.501   11.718   2.0424   11.718   2.0424   0.0000   0.0000  656.604   60.501  ?   ?       ?      ? 
1 1 1   16    1   45 o  265.990   48.834   2.0145   0.6761   2.4582   1.0095   1.6536   0.9104  291.975   68.444  240.005   69.674 51.97055 97.66764 
1 1 1   16    1   47 o  347.389   46.741   3.4254   0.8146   2.8598   1.1300   4.0373   1.1754  312.178   71.891  382.599   59.755 -70.42090 93.48270 
1 1 1   16    1   49 o  200.219   39.445   1.1318   0.4158   1.0818   0.5393   1.2051   0.6528  195.324   52.550  205.115   58.840 -9.790604 78.88992 
1 1 1   16    1   51 o   90.082   27.665   0.0000   0.2062   0.0000   0.2358   0.0000   0.4251   77.475   33.181  102.690   44.277 -25.21490 55.33042 
1 1 1   16    1   53 o  211.984   70.689   1.3619   0.9031   1.3619   0.9031   0.0000   0.0000  211.984   70.689  ?   ?       ?      ? 
1 1 1   16    1   55 o  295.164   37.473   2.5593   0.5481   3.0949   0.7750   2.0233   0.7753  332.747   45.299  257.581   59.706 75.16623 74.94569 
1 1 1   16    2    0 o  836.419   49.067   18.244   2.0934   18.244   2.0934   0.0000   0.0000  836.419   49.067  836.419   49.067 0.000000 0.000000 
1 1 1   16    2    2 f  1158.40   47.860   35.036   2.8480   36.984   4.0620   33.152   3.9942  1190.42   66.370  1126.39   68.972 64.03052 95.71905 
1 1 1   16    2    4 o  950.623   32.983   23.421   1.6103   22.727   2.3077   24.079   2.2481  936.702   47.920  964.543   45.335 -27.84082 65.96643 
1 1 1   16    2    6 o  594.595   31.672   9.1601   0.9663   8.8275   1.3941   9.4676   1.3407  584.055   46.427  605.136   43.092 -21.08081 63.34386 
1 1 1   16    2    8 o  996.941   39.910   26.004   1.8456   26.311   2.1895   25.251   3.4302  1009.15   42.201  984.728   67.753 24.42609 79.82082 
1 1 1   16    2   10 o  1217.51   34.726   38.878   2.0767   36.393   3.4348   40.311   2.6072  1185.27   56.365  1249.75   40.577 -64.47864 69.45206 
1 1 1   16    2   12 o  382.960   28.701   3.7991   0.5627   4.0795   0.7821   3.4981   0.8102  397.747   38.247  368.173   42.802 29.57401 57.40103 
1 1 1   16    2   14 f  484.171   27.889   6.0425   0.6939   5.9830   0.9657   6.1061   0.9978  481.723   38.993  486.620   39.883 -4.897095 55.77759 
1 1 1   16    2   16 o  459.688   27.855   5.4478   0.6582   5.4471   0.9216   5.4484   0.9403  459.674   38.995  459.702   39.786 -0.2859497E-01 55.70939 
1 1 1   16    2   18 o  2091.18   27.616  112.773   2.9678  116.384   4.1915  109.144   4.2028  2124.86   38.368  2057.50   39.731 67.35791 55.23266 
1 1 1   16    2   20 o  919.616   39.497   21.880   1.8668   22.229   2.6203   21.521   2.6602  927.147   54.972  912.086   56.729 15.06091 78.99394 
1 1 1   16    2   22 o  1736.92   33.707   77.451   2.8544   76.432   3.5067   79.451   4.9140  1721.41   39.622  1752.43   54.542 -31.02441 67.41457 
1 1 1   16    2   24 o  1037.29   28.118   27.768   1.4993   27.340   2.1228   28.194   2.1180  1029.28   40.116  1045.31   39.410 -16.02930 56.23528 
1 1 1   16    2   26 o  1521.65   28.224   59.778   2.2080   59.793   3.1270   59.764   3.1182  1521.83   39.966  1521.47   39.863 0.3610840 56.44767 
1 1 1   16    2   28 o  443.811   29.376   5.1134   0.6660   5.7708   0.9408   4.4531   0.9428  472.688   38.712  414.934   44.196 57.75348 58.75261 
1 1 1   16    2   30 o  1317.84   28.642   44.946   1.9401   46.256   2.7475   43.642   2.7399  1337.12   39.966  1298.57   41.040 38.54895 57.28492 
1 1 1   16    2   32 o  234.861   38.124   1.6184   0.4688   0.7625   0.7619   2.1398   0.5947  182.417   64.752  287.306   40.261 -104.8892 76.24754 
1 1 1   16    2   34 o  774.266   42.998   15.983   1.6790   12.561   2.3850   19.346   2.3641  688.972   67.333  859.560   53.495 -170.5875 85.99639 
1 1 1   16    2   36 o  490.390   36.576   6.2211   0.8729   6.0315   1.0669   6.6050   1.5182  480.816   43.160  499.964   59.064 -19.14764 73.15275 
1 1 1   16    2   38 o  793.271   36.391   16.702   1.3987   16.922   1.7209   16.273   2.4010  804.518   41.606  782.024   59.717 22.49432 72.78194 
1 1 1   16    2   40 o  571.237   38.421   8.9747   1.0461   9.5641   1.2889   7.8369   1.7909  603.725   41.525  538.749   64.655 64.97577 76.84138 
1 1 1   16    2   42 o  768.593   44.340   16.209   1.7168   12.633   2.4212   19.824   2.4346  677.727   69.488  859.460   55.097 -181.7332 88.68067 
1 1 1   16    2   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    2   46 o  328.332   40.966   3.0392   0.6387   3.1557   0.7959   2.8286   1.0705  343.771   45.031  312.893   68.448 30.87830 81.93240 
1 1 1   16    2   48 o  468.455   37.484   5.7424   0.8563   5.2428   1.0388   6.8013   1.5124  441.495   45.765  495.415   59.378 -53.91977 74.96769 
1 1 1   16    2   50 o  185.742   42.313   0.8667   0.4976   1.5211   0.7335   0.3089   0.6772  228.112   61.252  143.372   58.393 84.73929 84.62624 
1 1 1   16    2   52 o  271.309   42.992   2.2168   0.5667   2.3558   0.6909   1.9313   0.9904  293.109   45.851  249.509   72.738 43.60007 85.98315 
1 1 1   16    2   54 o  199.017   46.156   1.1959   0.5489   1.0389   0.7933   1.3401   0.7603  188.692   66.157  209.343   64.379 -20.65114 92.31162 
1 1 1   16    3    1 o  343.839   44.950   3.2039   0.7222   2.9569   1.2642   3.3235   0.8798  329.508   76.151  358.169   47.780 -28.66156 89.89958 
1 1 1   16    3    3 o  187.939   41.863   0.8934   0.4551   1.0944   0.6617   0.7129   0.6269  203.315   59.510  172.563   58.893 30.75194 83.72515 
1 1 1   16    3    5 o  719.531   32.213   13.404   1.1884   13.285   1.7419   13.508   1.6255  716.362   47.295  722.701   43.748 -6.338989 64.42531 
1 1 1   16    3    7 o  2086.13   30.531  112.514   3.2716  111.709   4.7188  113.259   4.5398  2078.69   44.154  2093.57   42.177 -14.88892 61.06139 
1 1 1   16    3    9 o  1065.35   39.449   29.804   1.9298   30.310   2.2777   28.517   3.6328  1083.54   40.887  1047.16   67.477 36.37793 78.89810 
1 1 1   16    3   11 o  1152.78   38.700   34.394   2.2930   33.421   3.2376   35.372   3.2481  1136.33   55.419  1169.22   54.033 -32.88892 77.40041 
1 1 1   16    3   13 o  704.781   27.989   12.816   1.0128   12.949   1.4005   12.670   1.4664  708.687   38.437  700.876   40.695 7.811401 55.97759 
1 1 1   16    3   15 f  1757.15   27.675   79.553   2.4991   78.114   3.4731   81.097   3.5987  1740.73   38.808  1773.57   39.467 -32.83435 55.35035 
1 1 1   16    3   17 o  591.015   27.763   9.0050   0.8435   9.0201   1.1829   8.9895   1.2030  591.534   38.895  590.496   39.626 1.037842 55.52533 
1 1 1   16    3   19 f  665.045   35.435   11.921   1.1202   10.034   1.9155   12.902   1.3810  622.621   59.841  707.470   37.967 -84.84955 70.86954 
1 1 1   16    3   21 o  807.982   35.234   17.188   1.3610   17.782   1.6616   15.977   2.3726  830.404   38.920  785.560   58.744 44.84387 70.46765 
1 1 1   16    3   23 o  1083.22   39.675   30.411   2.2063   28.572   3.1238   32.241   3.1166  1050.27   57.851  1116.17   54.310 -65.90027 79.34937 
1 1 1   16    3   25 o  1500.08   28.176   58.111   2.1713   55.393   3.0702   60.830   3.0710  1464.83   40.767  1535.33   38.906 -70.49731 56.35278 
1 1 1   16    3   27 o  1345.25   28.351   46.745   1.9608   47.020   2.7741   46.472   2.7719  1349.21   39.992  1341.29   40.196 7.917969 56.70176 
1 1 1   16    3   29 o  1555.81   28.571   62.606   2.2839   65.200   3.2330   60.023   3.2269  1588.16   39.596  1523.45   41.199 64.70300 57.14185 
1 1 1   16    3   31 o  724.151   34.513   13.328   1.2279   14.644   2.1100   12.654   1.5100  749.549   54.753  698.752   42.032 50.79669 69.02574 
1 1 1   16    3   33 o  418.584   42.679   4.5524   0.9185   4.5524   0.9185   0.0000   0.0000  418.584   42.679  ?   ?       ?      ? 
1 1 1   16    3   35 o  300.903   48.511   2.4922   0.7393   3.0854   1.0656   1.9418   1.0265  336.336   63.961  265.470   72.955 70.86639 97.02297 
1 1 1   16    3   37 o  520.985   35.948   6.9576   0.9188   6.5604   1.1270   7.7451   1.5868  500.901   43.761  541.069   57.043 -40.16757 71.89528 
1 1 1   16    3   39 o  250.697   41.778   1.7840   0.5135   1.9397   0.6190   1.4401   0.9199  271.776   44.298  229.617   70.846 42.15897 83.55505 
1 1 1   16    3   41 o  574.169   35.866   8.5875   1.0053   8.2146   1.2300   9.3379   1.7448  558.505   42.837  589.834   57.538 -31.32904 71.73277 
1 1 1   16    3   43 o  463.409   44.267   5.6913   1.0547   5.6913   1.0547   0.0000   0.0000  463.409   44.267  ?   ?       ?      ? 
1 1 1   16    3   45 o  490.067   36.987   6.2654   0.8904   5.7899   1.0910   7.2142   1.5411  465.933   45.543  514.201   58.293 -48.26828 73.97459 
1 1 1   16    3   47 o  492.102   36.758   6.3047   0.8930   5.6727   1.0972   7.5450   1.5372  459.682   46.426  524.523   57.002 -64.84140 73.51565 
1 1 1   16    3   49 o  180.767   37.702   0.7095   0.3582   0.4092   0.4197   1.5152   0.6875  132.249   47.925  229.285   58.214 -97.03622 75.40344 
1 1 1   16    3   51 o  199.702   40.714   1.1225   0.4225   1.0527   0.5163   1.2639   0.7350  191.730   51.350  207.673   63.195 -15.94228 81.42722 
1 1 1   16    3   53 o  226.867   51.285   1.4924   0.5841   1.4924   0.5841   0.0000   0.0000  226.867   51.285  ?   ?       ?      ? 
1 1 1   16    3   55 o  417.699   47.929   5.8044   0.8877   6.7132   1.1000   4.1068   1.5033  491.410   43.537  343.987   85.400 147.4225 95.85767 
1 1 1   16    4    0 o  715.142   49.452   13.387   1.7982   0.0000   0.0000   13.387   1.7982  715.142   49.452  715.142   49.452 -0.000000 0.000000 
1 1 1   16    4    2 o  568.669   47.647   8.4512   1.3905   8.1411   2.0031   8.7396   1.9318  558.280   69.788  579.058   64.890 -20.77783 95.29432 
1 1 1   16    4    4 o  1364.39   32.491   48.197   2.2734   47.851   3.3284   48.500   3.1127  1359.46   47.621  1369.32   44.214 -9.855591 64.98213 
1 1 1   16    4    6 o  1397.23   31.347   50.541   2.2444   49.669   3.2947   51.296   3.0658  1385.61   46.250  1408.85   42.326 -23.24536 62.69368 
1 1 1   16    4    8 o  765.115   36.047   15.088   1.3487   15.359   2.3025   14.947   1.6641  769.530   58.199  760.700   42.550 8.829773 72.09417 
1 1 1   16    4   10 o  312.952   37.786   2.3821   0.5393   2.1371   0.6295   3.0585   1.0458  287.727   42.556  338.176   62.450 -50.44922 75.57159 
1 1 1   16    4   12 o  642.394   33.754   10.448   1.0793   11.479   1.7988   9.8676   1.3491  666.366   52.506  618.421   42.431 47.94513 67.50745 
1 1 1   16    4   14 o  1506.83   27.848   58.448   2.1555   56.326   2.9740   60.798   3.1287  1478.08   39.135  1535.58   39.630 -57.50159 55.69647 
1 1 1   16    4   16 o  393.857   28.218   3.9980   0.5702   3.6621   0.7963   4.3515   0.8169  376.847   41.102  410.867   38.674 -34.02023 56.43595 
1 1 1   16    4   18 o  2117.94   33.852  116.117   3.4965  114.818   5.9618  116.798   4.3169  2107.42   55.024  2128.45   39.450 -21.02856 67.70490 
1 1 1   16    4   20 o  642.927   35.151   10.911   1.0828   11.361   1.3270   10.016   1.8732  663.780   38.885  622.074   58.569 41.70648 70.30168 
1 1 1   16    4   22 o  931.232   28.076   22.374   1.3428   21.069   1.8886   23.708   1.9095  903.692   40.649  958.772   38.738 -55.08020 56.15149 
1 1 1   16    4   24 o  1751.14   34.734   79.911   2.9375   77.466   5.0802   81.139   3.6004  1729.05   57.149  1773.24   39.493 -44.19263 69.46701 
1 1 1   16    4   26 o  1794.25   28.218   83.138   2.6022   80.591   3.6761   85.696   3.6839  1766.58   40.475  1821.91   39.329 -55.32361 56.43599 
1 1 1   16    4   28 o  846.393   28.501   18.511   1.2402   18.417   1.7521   18.606   1.7558  844.227   40.368  848.559   40.245 -4.331726 57.00214 
1 1 1   16    4   30 o  1331.79   34.687   45.739   2.2535   45.072   2.7699   47.043   3.8757  1319.57   40.828  1344.01   56.088 -24.44104 69.37444 
1 1 1   16    4   32 o  493.513   41.762   6.3192   1.0596   6.3192   1.0596   0.0000   0.0000  493.513   41.762  ?   ?       ?      ? 
1 1 1   16    4   34 o  277.842   39.933   2.0217   0.5243   1.8752   0.6378   2.3272   0.9209  263.993   48.792  291.691   63.230 -27.69824 79.86698 
1 1 1   16    4   36 f  868.815   37.821   20.879   1.5531   22.945   1.9195   16.961   2.6428  938.731   39.772  798.899   64.342 139.8320 75.64226 
1 1 1   16    4   38 o  334.225   40.808   2.9158   0.6401   2.7437   0.7707   3.2984   1.1491  323.230   46.376  345.220   67.161 -21.98956 81.61693 
1 1 1   16    4   40 o  913.628   33.812   21.707   1.3854   21.342   1.6017   22.790   2.7606  904.623   34.439  922.634   58.198 -18.01093 67.62403 
1 1 1   16    4   42 o  429.435   43.845   4.8745   0.9680   4.8745   0.9680   0.0000   0.0000  429.435   43.845  ?   ?       ?      ? 
1 1 1   16    4   44 o  214.107   37.876   1.2988   0.3765   1.3590   0.4273   1.0898   0.7962  227.344   36.562  200.869   66.344 26.47472 75.75130 
1 1 1   16    4   46 o  615.235   35.408   10.167   0.9673   10.135   1.1179   10.260   1.9296  620.595   35.036  609.875   61.542 10.72070 70.81583 
1 1 1   16    4   48 o  534.816   37.577   7.6549   0.9779   7.3214   1.1937   8.3357   1.7052  522.243   44.458  547.388   60.593 -25.14581 75.15333 
1 1 1   16    4   50 o  227.906   46.669   1.5179   0.5844   1.2109   0.8033   1.8631   0.8518  205.160   66.586  250.651   65.408 -45.49028 93.33723 
1 1 1   16    4   52 o  334.645   46.458   3.0783   0.7993   3.0783   0.7993   0.0000   0.0000  334.645   46.458  ?   ?       ?      ? 
1 1 1   16    4   54 o  198.761   45.736   1.1803   0.5364   1.3839   0.7942   1.0096   0.7273  211.894   65.905  185.628   63.432 26.26631 91.47191 
1 1 1   16    5    1 o  989.927   43.188   26.015   2.0358   24.063   3.5664   26.958   2.4794  959.458   72.300  1020.40   47.261 -60.93689 86.37624 
1 1 1   16    5    3 o  276.501   47.024   2.0975   0.6601   1.8051   0.9962   2.3264   0.8814  259.085   72.130  293.917   60.350 -34.83185 94.04706 
1 1 1   16    5    5 o  737.435   32.125   14.090   1.2099   13.842   1.8093   14.291   1.6274  731.280   48.124  743.589   42.568 -12.30853 64.24909 
1 1 1   16    5    7 o  304.436   31.418   2.4091   0.4888   2.1556   0.7022   2.6472   0.6807  288.706   47.311  320.165   41.353 -31.45932 62.83580 
1 1 1   16    5    9 o  849.352   29.543   18.639   1.2886   19.091   1.7938   18.158   1.8522  860.100   40.566  838.605   42.959 21.49463 59.08533 
1 1 1   16    5   11 f  247.039   39.007   1.5760   0.4374   1.5105   0.5087   1.7619   0.8569  238.303   43.106  255.776   65.023 -17.47371 78.01299 
1 1 1   16    5   13 o  1063.01   35.154   29.991   1.8186   26.531   3.0166   31.967   2.2795  1012.59   57.945  1113.43   39.820 -100.8315 70.30792 
1 1 1   16    5   15 f  1041.17   27.932   27.934   1.4939   27.621   2.0660   28.276   2.1628  1035.13   38.822  1047.22   40.170 -12.09375 55.86380 
1 1 1   16    5   17 o  1793.46   34.055   83.600   2.9818   81.231   5.0494   84.869   3.6948  1772.58   55.407  1814.35   39.609 -41.77771 68.10945 
1 1 1   16    5   19 o  1077.99   34.232   30.023   1.7811   30.051   2.1735   29.966   3.1079  1079.60   39.159  1076.39   56.160 3.218994 68.46438 
1 1 1   16    5   21 o  3472.70   27.902  311.032   4.9816  311.086   7.0265  310.977   7.0637  3473.04   39.352  3472.36   39.567 0.6718750 55.80431 
1 1 1   16    5   23 o  526.690   34.400   7.0877   0.8803   6.9233   1.0751   7.4223   1.5335  517.977   40.371  535.403   55.710 -17.42590 68.79967 
1 1 1   16    5   25 o  983.802   35.600   25.662   1.6753   23.295   2.8972   26.851   2.0534  947.603   59.467  1020.00   39.156 -72.39832 71.20084 
1 1 1   16    5   27 o  923.414   35.727   22.773   1.5782   24.132   1.9426   20.133   2.7068  966.645   39.089  880.182   59.815 86.46313 71.45479 
1 1 1   16    5   29 o  525.989   35.215   7.1540   0.9001   7.1050   1.1038   7.2512   1.5549  524.092   40.964  527.887   57.291 -3.795166 70.42928 
1 1 1   16    5   31 o  415.054   59.526   4.5044   1.2702   4.5044   1.2702   0.0000   0.0000  415.054   59.526  ?   ?       ?      ? 
1 1 1   16    5   33 o  556.347   34.619   7.4922   0.9474   6.1877   1.1524   10.211   1.6639  487.499   45.981  625.195   51.766 -137.6960 69.23857 
1 1 1   16    5   35 o  686.243   42.125   12.463   1.4804   11.280   2.1023   13.625   2.0848  652.936   62.627  719.549   56.356 -66.61371 84.25080 
1 1 1   16    5   37 o  585.492   35.949   9.3723   0.9213   9.7313   1.0679   8.3280   1.8214  612.035   33.939  558.949   63.383 53.08618 71.89735 
1 1 1   16    5   39 o  1048.52   34.354   29.049   1.5996   29.091   1.8484   28.926   3.1922  1056.93   34.016  1040.12   59.696 16.81177 68.70733 
1 1 1   16    5   41 o  295.532   48.939   2.5004   0.7351   2.9187   1.0182   2.0451   1.0623  323.326   63.521  267.738   74.465 55.58737 97.87737 
1 1 1   16    5   43 o  841.232   34.014   18.171   1.2883   17.451   1.4853   20.357   2.5881  815.755   35.416  866.709   58.082 -50.95459 68.02820 
1 1 1   16    5   45 o  529.942   37.507   7.5095   0.9666   7.3407   1.1842   7.8463   1.6729  525.222   43.855  534.661   60.860 -9.439148 75.01495 
1 1 1   16    5   47 o  558.222   38.271   8.9428   0.9153   9.3902   1.0579   7.6114   1.8250  597.033   34.466  519.411   68.342 77.62250 76.54132 
1 1 1   16    5   49 o  448.819   33.437   5.0755   0.6971   4.6028   0.8109   6.4136   1.3643  415.836   37.928  481.801   55.077 -65.96494 66.87350 
1 1 1   16    5   51 o  269.669   37.369   1.7324   0.4926   0.9484   0.5918   3.5003   0.8888  182.497   56.913  356.840   48.444 -174.3425 74.73878 
1 1 1   16    5   53 o  196.173   39.125   1.2022   0.4299   1.4801   0.5290   0.6623   0.7374  227.782   46.742  164.565   62.755 63.21719 78.24954 
1 1 1   16    5   55 o  288.249   45.119   2.5991   0.6308   2.6931   0.7715   2.4096   1.0955  308.077   48.710  268.421   75.963 39.65680 90.23878 
1 1 1   16    6    0 o  276.101   87.749   2.4900   1.0965   2.4900   1.0965   0.0000   0.0000  276.101   87.749  276.101   87.749 0.000000 0.000000 
1 1 1   16    6    2 o  1212.15   46.535   38.280   2.8875   38.139   4.2823   38.397   3.9100  1209.35   68.874  1214.94   62.597 -5.582275 93.07047 
1 1 1   16    6    4 o  1005.04   38.696   25.549   1.8358   27.830   3.4056   24.615   2.1797  1034.25   64.046  975.833   43.445 58.42047 77.39132 
1 1 1   16    6    6 o  909.298   42.172   21.422   1.8098   21.365   2.1656   21.554   3.2957  909.011   46.337  909.584   70.476 -0.5723877 84.34421 
1 1 1   16    6    8 o  938.460   30.095   22.745   1.4515   23.336   2.0480   22.149   2.0576  950.775   41.897  926.145   43.213 24.63037 60.18904 
1 1 1   16    6   10 o  1093.46   28.911   30.841   1.6214   30.758   2.2165   30.937   2.3781  1092.01   39.479  1094.92   42.246 -2.916992 57.82127 
1 1 1   16    6   12 o  432.354   38.720   4.9263   0.7501   5.0274   0.8740   4.6435   1.4617  441.584   38.495  423.125   67.194 18.45956 77.43964 
1 1 1   16    6   14 o  272.558   28.980   1.9220   0.4041   1.9906   0.5509   1.8421   0.5945  277.888   38.558  267.228   43.273 10.66098 57.95909 
1 1 1   16    6   16 o  1665.99   34.646   73.045   2.8121   67.169   4.7093   76.301   3.5057  1611.65   56.835  1720.34   39.636 -108.6926 69.29123 
1 1 1   16    6   18 o  1133.96   33.625   32.552   1.8523   31.303   2.2542   35.150   3.2502  1101.84   39.793  1166.07   54.214 -64.23157 67.25032 
1 1 1   16    6   20 o  919.771   28.213   21.815   1.3311   19.889   1.8603   23.836   1.9054  878.069   41.208  961.472   38.547 -83.40271 56.42617 
1 1 1   16    6   22 o  874.149   34.229   19.606   1.4530   19.324   1.7772   20.173   2.5236  865.477   39.940  882.820   55.600 -17.34259 68.45887 
1 1 1   16    6   24 o  947.828   40.006   23.280   1.9491   23.877   2.7643   22.689   2.7487  960.004   56.008  935.653   57.140 24.35040 80.01155 
1 1 1   16    6   26 o  914.437   34.949   21.845   1.5422   22.236   1.8902   21.067   2.6673  927.930   39.621  900.943   57.585 26.98645 69.89867 
1 1 1   16    6   28 o  1136.09   34.286   32.882   1.9015   31.720   2.3279   35.212   3.2962  1107.72   40.876  1164.47   55.057 -56.75000 68.57238 
1 1 1   16    6   30 o  700.085   57.821   12.784   2.0812   12.784   2.0812   0.0000   0.0000  700.085   57.821  ?   ?       ?      ? 
1 1 1   16    6   32 o  536.884   35.216   7.4181   0.9246   7.2146   1.1364   7.8168   1.5904  527.190   41.927  546.577   56.594 -19.38684 70.43297 
1 1 1   16    6   34 o  843.967   32.547   17.937   1.2432   17.264   1.4365   19.945   2.4813  816.227   34.231  871.708   55.366 -55.48016 65.09375 
1 1 1   16    6   36 o  230.551   39.183   1.5503   0.4658   1.8794   0.5735   0.9124   0.7984  268.438   41.558  192.665   66.438 75.77283 78.36547 
1 1 1   16    6   38 o  166.038   35.598   0.7620   0.3222   0.8690   0.3783   0.4793   0.6147  178.750   41.896  153.325   57.564 25.42473 71.19611 
1 1 1   16    6   40 o  745.431   33.662   14.045   1.1342   13.374   1.3077   16.086   2.2789  715.609   35.544  775.254   57.176 -59.64526 67.32389 
1 1 1   16    6   42 o  653.549   34.448   11.176   1.1575   11.176   1.1575   0.0000   0.0000  653.549   34.448  ?   ?       ?      ? 
1 1 1   16    6   44 o  545.836   35.761   8.1247   0.8687   8.2656   1.0104   7.7255   1.7010  561.096   35.025  530.576   62.359 30.51984 71.52187 
1 1 1   16    6   46 o  179.680   33.796   0.9968   0.3320   1.2280   0.3824   0.2882   0.6694  216.067   34.422  143.292   58.171 72.77542 67.59200 
1 1 1   16    6   48 o  319.483   42.044   3.2664   0.5742   3.7028   0.6735   2.1051   1.0987  374.329   34.997  264.637   76.458 109.6917 84.08720 
1 1 1   16    6   50 o  413.396   38.479   4.6659   0.7750   4.4918   0.9493   5.0138   1.3421  406.735   45.395  420.058   62.144 -13.32281 76.95846 
1 1 1   16    6   52 o  630.255   43.948   10.858   1.4240   10.858   1.4240   0.0000   0.0000  630.255   43.948  ?   ?       ?      ? 
1 1 1   16    6   54 o  336.377   51.261   3.6010   0.8827   4.5043   1.2536   2.7128   1.2431  389.233   62.646  283.522   81.156 105.7107 102.5226 
1 1 1   16    7    1 o  1266.21   42.196   41.671   2.5567   41.579   4.5314   41.713   3.0966  1262.78   69.797  1269.65   47.438 -6.872192 84.39202 
1 1 1   16    7    3 o  1702.60   43.215   75.160   3.6840   75.985   5.9380   74.645   4.6973  1708.16   67.615  1697.04   53.838 11.12610 86.43089 
1 1 1   16    7    5 o  825.291   43.712   17.993   1.7021   18.491   2.0527   16.896   3.0451  845.631   47.214  804.951   73.579 40.67963 87.42460 
1 1 1   16    7    7 o  1351.89   30.868   47.243   2.1433   45.745   3.0678   48.671   2.9955  1330.76   44.840  1373.02   42.435 -42.25598 61.73589 
1 1 1   16    7    9 o  1170.50   29.249   35.273   1.7581   33.680   2.4166   37.064   2.5625  1142.52   41.140  1198.49   41.587 -55.97424 58.49763 
1 1 1   16    7   11 o  913.977   29.116   21.722   1.3563   23.401   1.8496   19.769   1.9947  952.736   37.761  875.218   44.330 77.51855 58.23252 
1 1 1   16    7   13 o  605.097   45.817   9.9870   1.3509   12.273   1.8019   7.0517   2.0416  689.293   50.845  520.900   76.233 168.3934 91.63341 
1 1 1   16    7   15 o  2705.61   34.174  188.929   4.5726  189.219   7.5864  188.763   5.7305  2705.65   54.537  2705.57   41.197 0.8203125E-01 68.34830 
1 1 1   16    7   17 o  1121.94   38.995   32.450   2.2493   32.450   2.2493   0.0000   0.0000  1121.94   38.995  ?   ?       ?      ? 
1 1 1   16    7   19 f  952.419   34.675   23.244   1.5833   22.922   1.9133   23.946   2.8203  942.817   39.471  962.021   57.022 -19.20471 69.35019 
1 1 1   16    7   21 o  313.375   40.108   2.7440   0.5670   2.9683   0.6801   2.2325   1.0269  339.246   38.991  287.504   70.103 51.74191 80.21649 
1 1 1   16    7   23 o  299.226   36.391   2.2688   0.5172   2.1008   0.6275   2.6245   0.9133  285.242   42.788  313.210   58.877 -27.96844 72.78271 
1 1 1   16    7   25 f  1796.12   40.095   83.791   3.6932   76.971   5.2226   90.613   5.2233  1722.26   58.982  1869.98   54.329 -147.7284 80.19067 
1 1 1   16    7   27 o  497.246   35.072   6.3679   0.8461   6.2936   1.0347   6.5179   1.4700  493.512   40.780  500.981   57.072 -7.469849 70.14453 
1 1 1   16    7   29 o  518.480   34.937   6.8810   0.8874   6.6689   1.0918   7.2938   1.5232  507.577   41.839  529.383   55.963 -21.80536 69.87395 
1 1 1   16    7   31 o  1086.35   40.796   30.595   2.2785   30.595   2.2785   0.0000   0.0000  1086.35   40.796  ?   ?       ?      ? 
1 1 1   16    7   33 o  1086.87   33.215   30.586   1.6129   30.377   1.8641   31.210   3.2171  1083.21   33.472  1090.53   57.380 -7.315063 66.42920 
1 1 1   16    7   35 o  1107.74   36.221   32.614   1.9414   33.522   2.3944   30.870   3.3171  1134.53   41.049  1080.94   59.688 53.58704 72.44144 
1 1 1   16    7   37 o  497.489   33.258   6.2253   0.7550   5.9263   0.8748   7.0982   1.4947  477.250   35.653  517.727   56.154 -40.47693 66.51636 
1 1 1   16    7   39 o  278.710   37.756   2.1536   0.4657   2.2150   0.5437   1.9848   0.9022  291.308   36.304  266.111   66.212 25.19678 75.51183 
1 1 1   16    7   41 f  401.409   62.877   4.3719   1.2976   4.3719   1.2976   0.0000   0.0000  401.409   62.877  ?   ?       ?      ? 
1 1 1   16    7   43 o  483.306   39.249   6.8920   0.8086   7.5237   0.9447   5.1613   1.5638  535.842   34.293  430.771   70.610 105.0708 78.49736 
1 1 1   16    7   45 o  258.525   40.868   2.0935   0.5585   2.8572   0.7097   0.8510   0.9052  328.021   42.081  189.029   70.072 138.9917 81.73688 
1 1 1   16    7   47 o  236.053   32.936   1.0045   0.3551   0.5076   0.3977   2.9587   0.7887  140.334   46.914  331.773   46.240 -191.4389 65.87160 
1 1 1   16    7   49 o  284.913   40.335   2.5018   0.5066   2.7389   0.5920   1.8538   0.9789  321.233   35.848  248.593   72.268 72.63953 80.67059 
1 1 1   16    7   51 o   77.547   33.228   0.0000   0.2366   0.0000   0.2366   0.0000   0.0000   77.547   33.228  ?   ?       ?      ? 
1 1 1   16    7   53 f  150.773   37.575   0.5633   0.3190   0.5331   0.3618   0.6688   0.6759  139.400   44.628  162.146   60.463 -22.74669 75.14931 
1 1 1   16    7   55 o  195.216   38.093   0.9895   0.4850   2.1228   0.7104   0.0000   0.6638  267.264   53.564  123.169   54.176 144.0945 76.18509 
1 1 1   16    8    0 o  782.731   49.650   15.991   1.9796   15.991   1.9796   0.0000   0.0000  782.731   49.650  782.731   49.650 0.000000 0.000000 
1 1 1   16    8    2 o  948.415   43.013   22.906   2.0478   25.372   3.3393   21.420   2.5925  987.758   65.756  909.072   55.469 78.68573 86.02686 
1 1 1   16    8    4 o  565.520   40.776   8.4785   1.0633   7.8597   1.9709   8.7326   1.2629  549.527   69.762  581.513   42.240 -31.98645 81.55296 
1 1 1   16    8    6 o  600.392   31.565   9.2974   0.9728   9.5284   1.4230   9.0948   1.3329  607.323   45.574  593.461   43.684 13.86182 63.12923 
1 1 1   16    8    8 o  1049.37   29.762   28.362   1.6038   26.559   2.2184   30.337   2.3214  1014.46   42.533  1084.29   41.643 -69.83649 59.52481 
1 1 1   16    8   10 o  873.387   29.402   19.794   1.3109   20.936   1.7853   18.458   1.9312  901.098   38.536  845.675   44.417 55.42328 58.80365 
1 1 1   16    8   12 o  956.791   38.104   23.618   1.6500   23.569   1.9215   23.757   3.2203  956.134   39.088  957.447   65.420 -1.312927 76.20749 
1 1 1   16    8   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    8   16 o  203.737   43.461   1.1116   0.4414   1.1116   0.4414   0.0000   0.0000  203.737   43.461  ?   ?       ?      ? 
1 1 1   16    8   18 o  967.777   35.384   24.065   1.6243   23.860   1.9478   24.532   2.9431  961.952   39.384  973.601   58.796 -11.64960 70.76789 
1 1 1   16    8   20 o  1271.87   34.040   40.273   2.0925   37.601   2.5200   46.205   3.7550  1207.31   40.598  1336.43   54.651 -129.1198 68.08018 
1 1 1   16    8   22 o  393.636   35.202   3.9325   0.6661   3.8046   0.8035   4.2135   1.1911  383.967   40.705  403.304   57.444 -19.33746 70.40353 
1 1 1   16    8   24 o  429.151   33.618   4.7207   0.6412   4.6803   0.7385   4.8447   1.2928  426.067   33.712  432.235   58.174 -6.167603 67.23572 
1 1 1   16    8   26 o  899.325   33.940   21.664   1.3387   22.390   1.5492   19.526   2.6599  931.786   32.338  866.864   59.681 64.92200 67.87932 
1 1 1   16    8   28 o  1845.99   34.469   87.373   3.1047   85.306   3.8088   91.465   5.3595  1816.19   40.790  1875.79   55.574 -59.59949 68.93719 
1 1 1   16    8   30 o  262.754   36.314   1.7857   0.4906   1.7857   0.4906   0.0000   0.0000  262.754   36.314  ?   ?       ?      ? 
1 1 1   16    8   32 o  1094.40   34.596   32.500   1.6580   33.795   1.9220   28.731   3.2784  1143.00   32.706  1045.80   60.973 97.19250 69.19121 
1 1 1   16    8   34 o  1206.68   32.745   36.734   1.7783   35.435   2.0496   40.689   3.5766  1169.19   34.097  1244.16   55.914 -74.96960 65.49077 
1 1 1   16    8   36 o  975.824   35.039   24.175   1.6803   22.337   2.0581   27.848   2.9097  924.535   43.299  1027.11   55.100 -102.5773 70.07764 
1 1 1   16    8   38 o  427.616   34.021   4.5540   0.6602   4.2780   0.7607   5.3959   1.3287  405.030   36.532  450.202   57.403 -45.17203 68.04228 
1 1 1   16    8   40 o  729.881   39.932   15.166   1.3564   16.890   1.6688   11.810   2.3282  802.042   40.470  657.720   68.851 144.3221 79.86386 
1 1 1   16    8   42 o  706.755   34.760   13.142   1.0970   12.960   1.2670   13.688   2.1922  703.377   35.037  710.133   60.045 -6.755798 69.52000 
1 1 1   16    8   44 o  635.363   35.683   10.801   1.0037   10.758   1.1578   10.930   2.0135  639.917   35.193  630.808   62.086 9.108765 71.36650 
1 1 1   16    8   46 o  422.863   38.772   4.8445   0.7980   4.7808   0.9814   4.9690   1.3711  422.662   45.161  423.064   63.036 -0.4017639 77.54370 
1 1 1   16    8   48 o  350.599   44.481   4.2646   0.6403   5.0338   0.7469   2.1315   1.2437  436.870   33.252  264.328   82.514 172.5412 88.96207 
1 1 1   16    8   50 o  212.059   40.687   1.2146   0.5235   0.3030   0.7232   2.2182   0.7589  145.846   59.979  278.272   54.992 -132.4260 81.37335 
1 1 1   16    8   52 o  208.467   38.142   1.2280   0.3670   1.2010   0.4185   1.3178   0.7632  207.304   40.721  209.630   64.507 -2.325897 76.28491 
1 1 1   16    8   54 o  407.823   43.282   5.1853   0.7188   5.4281   0.8288   4.4483   1.4440  447.730   36.005  367.916   78.721 79.81354 86.56393 
1 1 1   16    9    1 o  694.403   50.346   12.647   1.7737   10.276   2.4994   15.052   2.5176  627.546   77.466  761.259   64.325 -133.7130 100.6915 
1 1 1   16    9    3 o  2141.85   48.763  119.220   5.3670  114.096   7.4950  124.613   7.6889  2094.41   69.605  2189.28   68.311 -94.86963 97.52576 
1 1 1   16    9    5 f  1693.20   47.883   74.088   4.1684   74.088   4.1684   0.0000   0.0000  1693.20   47.883  ?   ?       ?      ? 
1 1 1   16    9    7 o  1047.53   41.340   28.324   1.9733   28.218   2.3059   28.615   3.8136  1045.65   42.894  1049.41   70.684 -3.766479 82.68031 
1 1 1   16    9    9 f  684.905   39.893   12.078   1.2206   12.020   1.4107   12.253   2.4348  682.684   40.191  687.125   68.923 -4.441772 79.78545 
1 1 1   16    9   11 o  1205.64   67.303   37.690   4.1718   0.0000   0.0000   37.690   4.1718  ?   ?   1205.64   67.303      ?      ? 
1 1 1   16    9   13 o  1731.89   54.579   77.532   4.8597   77.532   4.8597   0.0000   0.0000  1731.89   54.579  ?   ?       ?      ? 
1 1 1   16    9   15 o  974.508   32.066   24.459   1.6066   24.459   1.6066   0.0000   0.0000  974.508   32.066  ?   ?       ?      ? 
1 1 1   16    9   17 o  1456.04   34.113   54.456   2.1187   54.228   2.3984   55.263   4.5202  1450.97   32.151  1461.10   60.174 -10.12610 68.22511 
1 1 1   16    9   19 o  1842.02   33.747   87.633   2.6827   87.630   3.0546   87.643   5.6098  1844.32   32.215  1839.71   59.310 4.610840 67.49452 
1 1 1   16    9   21 o  520.214   36.723   7.2295   0.8954   7.6011   1.0817   6.4205   1.5960  542.853   38.756  497.575   62.389 45.27762 73.44672 
1 1 1   16    9   23 o  1505.22   32.882   58.233   2.1862   57.924   2.5121   59.201   4.4382  1499.09   32.595  1511.35   57.118 -12.26318 65.76379 
1 1 1   16    9   25 o  766.519   35.853   15.440   1.3209   15.873   1.6175   14.573   2.2885  783.958   40.130  749.080   59.424 34.87799 71.70503 
1 1 1   16    9   27 o  448.241   32.232   4.8855   0.6565   4.5610   0.7556   5.8843   1.3257  420.366   34.964  476.115   54.158 -55.74948 64.46379 
1 1 1   16    9   29 o  1305.12   33.043   43.993   2.2171   43.993   2.2171   0.0000   0.0000  1305.12   33.043  ?   ?       ?      ? 
1 1 1   16    9   31 o  521.458   36.787   7.1631   0.9193   7.2926   1.1202   6.8960   1.6088  530.179   41.095  512.738   61.028 17.44122 73.57460 
1 1 1   16    9   33 o  1058.24   32.898   28.548   1.5670   27.864   1.8107   30.588   3.1274  1037.11   33.958  1079.36   56.357 -42.25562 65.79694 
1 1 1   16    9   35 o  781.475   34.250   16.144   1.1910   16.293   1.3798   15.708   2.3588  792.390   33.870  770.560   59.540 21.82959 68.49960 
1 1 1   16    9   37 o  188.986   36.152   0.8794   0.3261   0.7647   0.3783   1.2112   0.6434  167.779   43.496  210.193   57.759 -42.41402 72.30441 
1 1 1   16    9   39 o  922.728   36.917   22.776   1.6482   23.119   2.0270   22.107   2.8316  938.285   42.019  907.171   60.711 31.11371 73.83434 
1 1 1   16    9   41 o  304.499   44.088   2.4511   0.6902   2.4511   0.6902   0.0000   0.0000  304.499   44.088  ?   ?       ?      ? 
1 1 1   16    9   43 o  240.113   39.506   1.7775   0.4422   1.9928   0.5084   1.1089   0.8958  275.437   35.902  204.790   70.385 70.64777 79.01233 
1 1 1   16    9   45 o  232.655   41.644   1.5506   0.4823   1.6039   0.5920   1.4454   0.8315  240.243   49.573  225.066   66.929 15.17755 83.28875 
1 1 1   16    9   47 o  531.682   34.868   7.2961   0.8337   6.9285   0.9592   8.4316   1.6859  511.721   36.461  551.644   59.445 -39.92316 69.73555 
1 1 1   16    9   49 o  554.147   36.735   8.5841   0.8958   8.7339   1.0381   8.1473   1.7726  573.663   35.196  534.631   64.490 39.03168 73.46971 
1 1 1   16    9   51 o  317.009   38.204   2.7015   0.6227   2.7015   0.6227   0.0000   0.0000  317.009   38.204  ?   ?       ?      ? 
1 1 1   16    9   53 o  257.267   40.478   2.3589   0.4974   2.7957   0.5726   1.0152   1.0042  322.576   34.525  191.958   73.226 130.6180 80.95681 
1 1 1   16   10    0 o  2573.19   70.028  171.556   9.2488  171.556   9.2488   0.0000   0.0000  2573.19   70.028  2573.19   70.028 0.000000 0.000000 
1 1 1   16   10    2 o  1135.91   42.900   33.309   2.5054   33.309   2.5054   0.0000   0.0000  1135.91   42.900  ?   ?       ?      ? 
1 1 1   16   10    4 o  808.174   42.426   16.857   1.7628   16.857   1.7628   0.0000   0.0000  808.174   42.426  ?   ?       ?      ? 
1 1 1   16   10    6 o  862.961   39.005   18.854   1.3808   18.588   1.5377   19.958   3.1373  849.246   35.219  876.676   69.607 -27.42999 78.00949 
1 1 1   16   10    8 o  1845.17   37.678   85.884   2.7702   84.673   3.0572   91.438   6.5484  1812.95   32.800  1877.39   67.844 -64.44312 75.35641 
1 1 1   16   10   10 o  658.282   43.063   11.022   1.4239   10.355   1.8060   12.117   2.3149  632.830   55.508  683.735   65.853 -50.90472 86.12614 
1 1 1   16   10   12 f  1280.87   32.220   42.256   2.1218   42.256   2.1218   0.0000   0.0000  1280.87   32.220  ?   ?       ?      ? 
1 1 1   16   10   14 o  648.600   37.008   10.463   1.1091   9.9780   1.2945   11.800   2.1509  622.076   40.476  675.125   61.967 -53.04932 74.01559 
1 1 1   16   10   16 o  1031.48   35.153   27.452   1.5153   27.432   1.7036   27.528   3.3152  1032.01   32.109  1030.96   62.546 1.049561 70.30623 
1 1 1   16   10   18 o  1655.91   35.026   72.453   2.4461   73.716   2.7725   68.016   5.1960  1691.64   31.878  1620.17   62.379 71.47290 70.05257 
1 1 1   16   10   20 o  971.168   35.558   24.186   1.6396   23.877   1.9657   24.892   2.9723  962.080   39.741  980.256   58.976 -18.17633 71.11674 
1 1 1   16   10   22 o  650.228   33.766   10.909   0.9575   10.892   1.0948   10.968   1.9747  650.058   32.759  650.398   59.054 -0.3399048 67.53205 
1 1 1   16   10   24 f  1029.10   32.723   26.754   1.4924   26.161   1.7108   28.642   3.0524  1007.29   33.036  1050.91   56.495 -43.62054 65.44510 
1 1 1   16   10   26 o  512.503   38.978   7.3309   0.9205   8.2043   1.1240   5.5521   1.6041  563.597   38.790  461.409   67.619 102.1881 77.95517 
1 1 1   16   10   28 o  770.878   40.790   15.378   1.6166   15.378   1.6166   0.0000   0.0000  770.878   40.790  ?   ?       ?      ? 
1 1 1   16   10   30 o  1040.62   32.967   27.874   1.5370   27.594   1.7772   28.704   3.0615  1033.12   33.459  1048.11   56.813 -14.99329 65.93381 
1 1 1   16   10   32 o  374.526   41.008   4.1316   0.6255   4.4972   0.7232   3.0466   1.2460  416.772   33.753  332.280   74.749 84.49155 82.01575 
1 1 1   16   10   34 o  310.052   41.040   2.7429   0.5295   2.8797   0.6038   2.2876   1.1013  333.113   35.256  286.992   74.121 46.12097 82.07911 
1 1 1   16   10   36 o  704.727   36.800   13.287   1.2571   13.723   1.5558   12.467   2.1336  724.745   41.755  684.710   60.609 40.03571 73.60000 
1 1 1   16   10   38 o  641.867   34.547   10.797   0.9927   10.712   1.1491   11.048   1.9710  641.091   34.863  642.643   59.654 -1.552551 69.09420 
1 1 1   16   10   40 f  552.911   34.648   7.9880   0.9849   7.9880   0.9849   0.0000   0.0000  552.911   34.648  ?   ?       ?      ? 
1 1 1   16   10   42 o  255.475   39.145   1.9833   0.4473   2.1858   0.5162   1.3730   0.8962  288.801   34.763  222.149   70.149 66.65135 78.29059 
1 1 1   16   10   44 o  199.933   37.134   0.9804   0.3401   0.8474   0.3870   1.4313   0.7126  175.230   43.227  224.635   60.393 -49.40474 74.26878 
1 1 1   16   10   46 o  156.028   33.911   0.6669   0.3421   1.0226   0.4236   0.0000   0.5800  192.056   43.864  120.000   51.729 72.05551 67.82269 
1 1 1   16   10   48 o  699.436   35.421   12.908   1.1069   12.465   1.2742   14.270   2.2344  685.483   36.156  713.389   60.920 -27.90619 70.84110 
1 1 1   16   10   50 o  437.322   63.374   5.4930   1.4249   5.4930   1.4249   0.0000   0.0000  437.322   63.374  ?   ?       ?      ? 
1 1 1   16   10   52 o  157.403   35.074   0.7312   0.3205   0.8741   0.3739   0.3349   0.6226  175.782   41.955  139.024   56.219 36.75812 70.14890 
1 1 1   16   10   54 o  147.959   32.387   0.6766   0.2944   0.8774   0.3353   0.0000   0.6155  176.354   38.093  119.564   52.389 56.78993 64.77433 
1 1 1   16   11    1 o  1139.60   53.482   33.591   3.1335   33.591   3.1335   0.0000   0.0000  1139.60   53.482  ?   ?       ?      ? 
1 1 1   16   11    3 o  1437.97   54.246   53.486   4.0104   53.486   4.0104   0.0000   0.0000  1437.97   54.246  ?   ?       ?      ? 
1 1 1   16   11    5 f  1139.96   54.907   33.611   3.2180   33.611   3.2180   0.0000   0.0000  1139.96   54.907  ?   ?       ?      ? 
1 1 1   16   11    7 o  609.511   38.289   9.5776   1.1998   9.5776   1.1998   0.0000   0.0000  609.511   38.289  ?   ?       ?      ? 
1 1 1   16   11    9 o  469.322   54.010   5.6935   1.3032   5.6935   1.3032   0.0000   0.0000  469.322   54.010  ?   ?       ?      ? 
1 1 1   16   11   11 o  2076.22   32.389  111.028   3.4574  111.028   3.4574   0.0000   0.0000  2076.22   32.389  ?   ?       ?      ? 
1 1 1   16   11   13 o  2284.42   36.082  131.817   3.3636  129.946   3.7390  139.753   7.7014  2246.16   32.378  2322.69   64.493 -76.53369 72.16400 
1 1 1   16   11   15 o  707.133   37.233   12.467   1.2123   11.936   1.4129   13.950   2.3605  680.354   40.393  733.913   62.558 -53.55853 74.46503 
1 1 1   16   11   17 o  913.079   36.046   22.050   1.3615   22.412   1.5322   20.691   2.9683  932.773   31.949  893.386   64.625 39.38666 72.09151 
1 1 1   16   11   19 o  1317.19   33.076   42.862   1.8901   41.281   2.1386   48.500   4.0397  1265.74   32.864  1368.64   57.410 -102.9031 66.15133 
1 1 1   16   11   21 o  1419.21   35.101   50.923   2.3798   49.047   2.8523   55.221   4.3174  1378.59   40.243  1459.83   57.524 -81.23389 70.20292 
1 1 1   16   11   23 o  589.459   35.010   9.2815   0.8855   9.5363   1.0133   8.4583   1.8212  608.223   32.405  570.694   62.069 37.52936 70.01911 
1 1 1   16   11   25 f  1125.57   35.509   32.874   1.9235   32.973   2.3424   32.668   3.3703  1129.73   40.328  1121.41   58.457 8.319702 71.01839 
1 1 1   16   11   27 o  1294.01   57.629   43.578   3.8339   43.578   3.8339   0.0000   0.0000  1294.01   57.629  ?   ?       ?      ? 
1 1 1   16   11   29 o  602.670   37.670   9.8119   1.0696   10.423   1.3022   8.5437   1.8755  634.363   39.926  570.978   63.890 63.38452 75.33926 
1 1 1   16   11   31 o  1134.24   35.686   33.538   1.9598   33.474   2.3986   33.666   3.3994  1135.46   41.088  1133.03   58.358 2.434937 71.37119 
1 1 1   16   11   33 o  347.599   36.914   3.1223   0.5520   3.0360   0.6331   3.3955   1.1271  342.070   35.997  353.128   64.457 -11.05811 73.82745 
1 1 1   16   11   35 o  1012.45   33.687   26.658   1.5241   26.435   1.7617   27.321   3.0392  1008.98   33.961  1015.91   58.188 -6.939514 67.37314 
1 1 1   16   11   37 o  467.858   35.719   5.8070   0.7385   5.8342   0.8521   5.7248   1.4803  473.303   35.017  462.412   62.267 10.89130 71.43760 
1 1 1   16   11   39 o  176.605   49.622   0.8508   0.4692   0.8508   0.4692   0.0000   0.0000  176.605   49.622  ?   ?       ?      ? 
1 1 1   16   11   41 o  300.280   37.964   2.1951   0.5474   1.5729   0.6629   3.5300   0.9708  237.418   55.329  363.142   52.000 -125.7244 75.92892 
1 1 1   16   11   43 o  253.387   38.109   1.6633   0.4255   1.5675   0.4852   1.9821   0.8850  243.751   38.721  263.022   65.650 -19.27043 76.21799 
1 1 1   16   11   45 f  614.771   37.648   10.501   1.0100   10.751   1.1669   9.7524   2.0163  638.787   35.532  590.755   66.386 48.03162 75.29697 
1 1 1   16   11   47 o  538.309   37.731   8.0485   0.8849   8.1673   1.0197   7.6860   1.7809  555.600   35.696  521.018   66.486 34.58179 75.46249 
1 1 1   16   11   49 o  179.547   51.111   0.9135   0.4944   0.9135   0.4944   0.0000   0.0000  179.547   51.111  ?   ?       ?      ? 
1 1 1   16   11   51 o  174.319   36.923   0.8073   0.3195   0.7478   0.3665   0.9956   0.6520  162.757   43.114  185.882   59.953 -23.12523 73.84605 
1 1 1   16   11   53 o  366.096   44.304   4.2900   0.6619   4.5651   0.7619   3.4440   1.3362  410.960   36.060  321.231   80.939 89.72876 88.60835 
1 1 1   16   12    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   12    2 o  1250.13   53.606   40.408   3.4454   40.408   3.4454   0.0000   0.0000  1250.13   53.606  ?   ?       ?      ? 
1 1 1   16   12    4 o  509.746   54.566   6.7191   1.4300   6.7191   1.4300   0.0000   0.0000  509.746   54.566  ?   ?       ?      ? 
1 1 1   16   12    6 o  769.746   38.708   15.276   1.5319   15.276   1.5319   0.0000   0.0000  769.746   38.708  ?   ?       ?      ? 
1 1 1   16   12    8 o  1413.86   38.504   51.531   2.7989   51.531   2.7989   0.0000   0.0000  1413.86   38.504  ?   ?       ?      ? 
1 1 1   16   12   10 o  418.777   54.652   4.5332   1.1767   4.5332   1.1767   0.0000   0.0000  418.777   54.652  ?   ?       ?      ? 
1 1 1   16   12   12 o  3075.46   32.497  243.619   5.1383  243.619   5.1383   0.0000   0.0000  3075.46   32.497  ?   ?       ?      ? 
1 1 1   16   12   14 o  1683.81   39.808   73.103   3.4461   73.103   3.4461   0.0000   0.0000  1683.81   39.808  ?   ?       ?      ? 
1 1 1   16   12   16 o  894.247   36.319   20.776   1.3348   20.851   1.4939   20.481   2.9732  899.682   32.296  888.813   65.064 10.86884 72.63860 
1 1 1   16   12   18 o  566.311   35.124   8.1686   0.8344   8.0828   0.9372   8.4968   1.8324  560.098   32.546  572.524   62.253 -12.42627 70.24744 
1 1 1   16   12   20 o  807.048   35.949   16.518   1.3737   16.028   1.6371   17.686   2.5256  788.096   40.404  826.000   59.473 -37.90479 71.89886 
1 1 1   16   12   22 o  685.044   33.799   11.972   1.0038   11.834   1.1420   12.441   2.1049  677.537   32.783  692.550   59.116 -15.01215 67.59753 
1 1 1   16   12   24 o  349.480   40.487   3.5847   0.5695   3.8848   0.6524   2.6243   1.1671  388.118   32.694  310.842   74.080 77.27640 80.97346 
1 1 1   16   12   26 o  1415.63   57.476   52.112   4.1832   52.112   4.1832   0.0000   0.0000  1415.63   57.476  ?   ?       ?      ? 
1 1 1   16   12   28 o  821.372   33.851   17.436   1.2264   17.356   1.4089   17.686   2.4912  819.635   33.435  823.109   58.869 -3.473816 67.70121 
1 1 1   16   12   30 o  393.937   32.229   3.5999   0.5778   3.1671   0.6604   5.0134   1.1933  349.684   36.731  438.190   52.969 -88.50647 64.45840 
1 1 1   16   12   32 o  197.381   38.088   0.9868   0.3412   0.9495   0.3821   1.1331   0.7572  187.576   40.788  207.186   64.336 -19.61038 76.17572 
1 1 1   16   12   34 o  515.314   35.450   7.1445   0.8019   7.3213   0.9270   6.6191   1.5984  531.142   33.948  499.485   62.244 31.65717 70.89999 
1 1 1   16   12   36 o  254.729   39.623   1.7224   0.4806   1.6028   0.5845   1.9720   0.8444  242.775   48.526  266.683   62.652 -23.90738 79.24673 
1 1 1   16   12   38 o  184.005   39.996   0.9497   0.4149   1.1241   0.4913   0.5158   0.7748  202.391   47.948  165.620   64.028 36.77090 79.99127 
1 1 1   16   12   40 o  438.149   48.582   6.8375   0.8030   8.2016   0.9336   2.9600   1.5741  560.599   32.393  315.698   91.606 244.9007 97.16428 
1 1 1   16   12   42 o  239.510   38.254   1.5186   0.4101   1.4678   0.4688   1.6843   0.8466  236.014   38.633  243.006   66.037 -6.991791 76.50742 
1 1 1   16   12   44 o  243.268   37.933   1.5717   0.4096   1.5160   0.4677   1.7547   0.8484  239.607   37.966  246.929   65.683 -7.322098 75.86634 
1 1 1   16   12   46 o  185.423   39.286   0.8883   0.3838   0.7359   0.4643   1.2172   0.6819  163.982   50.288  206.863   60.373 -42.88104 78.57285 
1 1 1   16   12   48 o  399.141   38.986   4.0072   0.7427   2.8926   0.9029   6.3399   1.3062  318.605   57.223  479.677   52.964 -161.0724 77.97168 
1 1 1   16   12   50 o  272.334   43.392   2.3296   0.5809   2.6637   0.7087   1.6459   1.0139  312.746   44.075  231.923   74.759 80.82280 86.78426 
1 1 1   16   12   52 o  445.540   34.686   4.5266   0.7045   3.4526   0.8009   8.1975   1.4808  354.088   43.996  536.991   53.636 -182.9033 69.37163 
1 1 1   16   12   54 o  272.593   37.804   1.8167   0.4527   1.4185   0.5143   3.1875   0.9543  220.929   46.736  324.257   59.432 -103.3282 75.60699 
1 1 1   16   13    1 o  120.769   30.814   0.3278   0.2363   0.4238   0.2687   0.0000   0.4963  127.555   38.072  113.982   48.462 13.57215 61.62861 
1 1 1   16   13    3 o  957.081   42.447   23.629   2.0887   23.629   2.0887   0.0000   0.0000  957.081   42.447  ?   ?       ?      ? 
1 1 1   16   13    5 o  571.950   42.646   8.4382   1.2540   8.4382   1.2540   0.0000   0.0000  571.950   42.646  ?   ?       ?      ? 
1 1 1   16   13    7 o  802.357   38.368   15.605   1.3520   14.733   1.5323   18.668   2.8727  755.955   39.426  848.759   65.833 -92.80475 76.73537 
1 1 1   16   13    9 o  776.906   44.259   15.450   1.7185   14.897   2.1703   16.378   2.8139  759.093   55.610  794.720   68.869 -35.62726 88.51747 
1 1 1   16   13   11 o  1060.64   39.868   29.326   1.8614   29.552   2.1426   28.628   3.7587  1070.70   38.923  1050.57   69.590 20.12451 79.73584 
1 1 1   16   13   13 o  1769.19   39.208   80.698   3.5663   80.698   3.5663   0.0000   0.0000  1769.19   39.208  ?   ?       ?      ? 
1 1 1   16   13   15 o  1472.49   39.806   55.914   3.0135   55.914   3.0135   0.0000   0.0000  1472.49   39.806  ?   ?       ?      ? 
1 1 1   16   13   17 o  2203.73   32.228  125.120   3.6514  125.120   3.6514   0.0000   0.0000  2203.73   32.228  ?   ?       ?      ? 
1 1 1   16   13   19 o  1147.47   32.405   33.930   1.9117   33.930   1.9117   0.0000   0.0000  1147.47   32.405  ?   ?       ?      ? 
1 1 1   16   13   21 o  507.446   38.782   6.8560   0.9049   7.1062   1.0747   6.2467   1.6772  524.708   39.839  490.184   66.550 34.52448 77.56322 
1 1 1   16   13   23 o  962.975   33.008   23.010   1.3914   22.173   1.5809   25.887   2.9309  927.234   33.162  998.716   57.081 -71.48236 66.01505 
1 1 1   16   13   25 o  774.883   57.735   15.607   2.3001   15.607   2.3001   0.0000   0.0000  774.883   57.735  ?   ?       ?      ? 
1 1 1   16   13   27 o  726.653   33.879   13.512   1.0785   13.339   1.2326   14.078   2.2276  718.650   33.361  734.656   58.977 -16.00592 67.75842 
1 1 1   16   13   29 o  503.367   32.239   6.0344   0.7331   5.5009   0.8381   7.7722   1.5127  461.066   35.357  545.669   53.920 -84.60300 64.47884 
1 1 1   16   13   31 o  690.398   38.530   13.171   1.2426   14.388   1.5186   10.707   2.1615  744.348   39.683  636.448   66.057 107.9001 77.05997 
1 1 1   16   13   33 o  683.216   35.251   12.684   1.0561   13.145   1.2241   11.343   2.0884  711.979   33.442  654.453   62.067 57.52637 70.50263 
1 1 1   16   13   35 o  517.619   34.046   6.6412   0.7880   6.2626   0.9013   7.8689   1.6230  490.608   35.733  544.630   57.963 -54.02234 68.09238 
1 1 1   16   13   37 o  701.773   36.253   12.723   1.2401   12.074   1.5123   14.056   2.1670  678.034   43.382  725.513   58.095 -47.47937 72.50551 
1 1 1   16   13   39 o  548.721   34.609   7.6079   0.8520   7.2249   0.9780   8.8130   1.7350  525.438   36.203  572.004   58.996 -46.56604 69.21887 
1 1 1   16   13   41 o  361.238   46.025   4.1252   0.7360   4.8908   0.8935   2.5082   1.2984  430.587   40.359  291.888   82.732 138.6993 92.05096 
1 1 1   16   13   43 o  349.264   33.255   2.6006   0.5191   1.8109   0.5922   5.2204   1.0786  256.861   46.555  441.667   47.499 -184.8058 66.50983 
1 1 1   16   13   45 o  238.326   38.884   1.5070   0.4170   1.4083   0.4798   1.8113   0.8427  226.471   42.779  250.181   64.944 -23.71065 77.76733 
1 1 1   16   13   47 o  383.403   47.612   5.8361   0.7654   7.3849   0.8936   1.5694   1.4832  529.141   32.847  237.666   89.379 291.4749 95.22356 
1 1 1   16   13   49 o  359.979   36.804   3.4608   0.6812   3.4608   0.6812   0.0000   0.0000  359.979   36.804  ?   ?       ?      ? 
1 1 1   16   13   51 o  136.424   33.962   0.4987   0.2867   0.6152   0.3185   0.0000   0.6588  148.089   40.614  124.759   54.444 23.33008 67.92405 
1 1 1   16   13   53 f  140.305   34.851   0.5219   0.2780   0.5618   0.3088   0.3516   0.6385  141.081   40.470  139.529   56.750 1.551285 69.70180 
1 1 1   16   14    0 o  3178.03   70.512  261.228   11.508  261.228   11.508   0.0000   0.0000  3178.03   70.512  3178.03   70.512 0.000000 0.000000 
1 1 1   16   14    2 o  494.279   41.921   6.1810   0.9865   5.9606   1.1794   6.6947   1.8003  480.502   47.740  508.056   68.922 -27.55389 83.84136 
1 1 1   16   14    4 o  1856.88   41.258   88.758   3.4710   88.267   4.0409   90.138   6.7784  1849.90   42.488  1863.87   70.736 -13.96436 82.51579 
1 1 1   16   14    6 o  2491.45   38.998  157.714   3.8318  156.200   4.2209  164.810   9.1369  2462.48   33.340  2520.43   70.511 -57.95093 77.99546 
1 1 1   16   14    8 f  2531.02   39.743  167.172   3.9403  168.025   4.3483  163.256   9.3174  2554.04   33.115  2508.00   72.260 46.03613 79.48676 
1 1 1   16   14   10 o  468.045   40.284   5.4367   0.8507   5.2048   0.9798   6.1471   1.7145  449.212   42.424  486.878   68.493 -37.66544 80.56765 
1 1 1   16   14   12 o  1704.65   38.904   73.870   2.9503   72.645   3.3929   77.668   5.9746  1678.57   39.315  1730.73   67.145 -52.15271 77.80824 
1 1 1   16   14   14 o  2021.98   43.484  105.588   4.4456  104.214   5.7684  107.599   6.9767  2007.15   55.899  2036.80   66.624 -29.65259 86.96847 
1 1 1   16   14   16 o  1892.80   37.933   91.161   3.2693   89.471   3.8050   95.928   6.3899  1862.46   39.738  1923.14   64.627 -60.68311 75.86619 
1 1 1   16   14   18 o  673.722   39.808   11.711   1.3789   11.711   1.3789   0.0000   0.0000  673.722   39.808  ?   ?       ?      ? 
1 1 1   16   14   20 o  1694.93   39.620   74.142   3.4525   74.142   3.4525   0.0000   0.0000  1694.93   39.620  ?   ?       ?      ? 
1 1 1   16   14   22 o  1416.01   32.554   51.701   2.3699   51.701   2.3699   0.0000   0.0000  1416.01   32.554  ?   ?       ?      ? 
1 1 1   16   14   24 o  1438.03   40.182   53.434   2.9708   53.434   2.9708   0.0000   0.0000  1438.03   40.182  ?   ?       ?      ? 
1 1 1   16   14   26 o  429.992   38.938   4.9703   0.7741   5.2003   0.9256   4.4348   1.4122  448.317   40.158  411.667   66.724 36.64975 77.87675 
1 1 1   16   14   28 o  1109.84   33.398   31.112   1.6290   30.302   1.8589   33.796   3.3817  1082.66   33.396  1137.02   57.849 -54.36243 66.79633 
1 1 1   16   14   30 o  669.980   38.230   12.893   1.0628   13.891   1.2203   9.7596   2.1622  732.726   32.394  607.235   69.257 125.4912 76.45906 
1 1 1   16   14   32 o  1034.81   34.556   28.111   1.5621   28.200   1.7910   27.831   3.1934  1043.04   33.399  1026.57   60.506 16.47424 69.11210 
1 1 1   16   14   34 o  491.766   42.915   7.4264   0.8191   8.2416   0.9431   4.9249   1.6521  563.531   32.552  420.000   79.418 143.5311 85.83009 
1 1 1   16   14   36 o  456.613   46.435   5.6608   1.0505   4.5531   1.4448   6.9032   1.5302  404.422   72.132  508.805   58.495 -104.3829 92.86933 
1 1 1   16   14   38 o  264.956   36.924   1.8367   0.5030   1.8367   0.5030   0.0000   0.0000  264.956   36.924  ?   ?       ?      ? 
1 1 1   16   14   40 o  266.267   39.045   2.0741   0.4594   2.2165   0.5323   1.6581   0.9098  290.817   35.600  241.718   69.502 49.09869 78.08921 
1 1 1   16   14   42 o  182.529   39.689   0.8748   0.3491   0.8771   0.3863   0.8643   0.8160  178.446   42.678  186.613   66.930 -8.166306 79.37855 
1 1 1   16   14   44 o  191.767   37.120   1.1523   0.3668   1.3362   0.4045   0.3000   0.8707  225.297   34.921  158.237   65.513 67.05951 74.23950 
1 1 1   16   14   46 o  215.425   41.843   1.1756   0.4554   0.8720   0.5460   1.8689   0.8252  177.303   54.563  253.546   63.453 -76.24330 83.68639 
1 1 1   16   14   48 o  652.253   44.242   11.516   1.4836   11.516   1.4836   0.0000   0.0000  652.253   44.242  ?   ?       ?      ? 
1 1 1   16   14   50 o  331.758   40.911   2.9383   0.6563   2.4148   0.7982   4.0309   1.1532  288.609   55.815  374.907   59.828 -86.29819 81.82102 
1 1 1   16   14   52 o  222.997   41.045   1.5125   0.4425   1.5550   0.5155   1.3934   0.8622  233.971   44.481  212.023   68.993 21.94786 82.08928 
1 1 1   16   15    1 o  882.786   43.112   20.095   1.8409   19.947   2.2466   20.398   3.2114  878.874   49.721  886.697   70.445 -7.823059 86.22447 
1 1 1   16   15    3 o  826.106   41.106   17.240   1.6061   16.633   1.9100   18.706   2.9674  802.804   46.276  849.407   67.951 -46.60406 82.21209 
1 1 1   16   15    5 o  2044.01   38.089  105.603   2.8562  104.609   3.0911  111.409   7.4685  2015.61   29.829  2072.41   70.096 -56.79980 76.17856 
1 1 1   16   15    7 o  1471.92   38.837   54.586   2.2625   53.803   2.4919   58.260   5.3981  1445.21   33.538  1498.64   70.061 -53.43042 77.67450 
1 1 1   16   15    9 o  1320.90   40.631   44.438   2.4235   43.701   2.8088   46.587   4.7943  1301.69   41.970  1340.12   69.584 -38.43396 81.26144 
1 1 1   16   15   11 o  362.515   39.973   3.1636   0.5560   3.0110   0.6086   3.9341   1.3674  341.845   34.628  383.185   72.056 -41.34052 79.94525 
1 1 1   16   15   13 o  1139.48   38.237   33.453   1.7350   33.382   1.9200   33.770   4.0511  1138.31   32.808  1140.65   69.079 -2.342896 76.47427 
1 1 1   16   15   15 o  1270.78   38.927   41.495   2.2416   41.175   2.6086   42.398   4.3828  1263.40   40.161  1278.15   66.696 -14.75061 77.85384 
1 1 1   16   15   17 o  655.421   38.057   10.761   1.1421   10.358   1.3280   11.904   2.2381  633.568   40.768  677.274   64.275 -43.70563 76.11411 
1 1 1   16   15   19 o  2042.54   38.743  111.114   3.5958  114.888   4.2377  101.410   6.7952  2110.00   39.064  1975.08   66.919 134.9266 77.48616 
1 1 1   16   15   21 o  837.678   37.579   18.255   1.4592   18.353   1.7274   18.012   2.7267  843.051   39.854  832.304   63.721 10.74701 75.15796 
1 1 1   16   15   23 o  663.297   40.546   11.369   1.3827   11.369   1.3827   0.0000   0.0000  663.297   40.546  ?   ?       ?      ? 
1 1 1   16   15   25 o  363.880   41.242   3.4262   0.7716   3.4262   0.7716   0.0000   0.0000  363.880   41.242  ?   ?       ?      ? 
1 1 1   16   15   27 o  779.496   33.074   15.703   1.3255   15.703   1.3255   0.0000   0.0000  779.496   33.074  ?   ?       ?      ? 
1 1 1   16   15   29 o  754.091   36.536   15.579   1.1721   16.221   1.3429   13.525   2.4014  791.812   32.987  716.370   65.203 75.44196 73.07236 
1 1 1   16   15   31 o  920.299   37.560   22.703   1.6353   23.554   1.9832   20.894   2.8904  951.662   40.534  888.935   63.244 62.72638 75.11903 
1 1 1   16   15   33 o  914.918   35.103   22.299   1.4003   22.605   1.6089   21.343   2.8432  933.222   33.533  896.614   61.679 36.60834 70.20524 
1 1 1   16   15   35 o  197.977   37.560   0.8726   0.3391   0.6924   0.3822   1.5388   0.7350  160.135   44.712  235.818   60.365 -75.68317 75.12045 
1 1 1   16   15   37 o  115.578   39.993   0.3180   0.2894   0.3180   0.2894   0.0000   0.0000  115.578   39.993  ?   ?       ?      ? 
1 1 1   16   15   39 o  520.451   36.183   7.1184   0.8238   7.0163   0.9421   7.4499   1.6979  517.686   35.398  523.215   63.119 -5.529541 72.36688 
1 1 1   16   15   41 o  486.335   37.772   5.9309   0.8869   5.1711   1.0589   7.7169   1.6235  440.420   46.766  532.250   59.329 -91.83002 75.54456 
1 1 1   16   15   43 o  282.620   42.162   2.2984   0.5088   2.3595   0.5766   2.0837   1.0816  298.992   37.508  266.249   75.524 32.74283 84.32471 
1 1 1   16   15   45 o  216.325   39.659   1.0832   0.3729   0.9016   0.4143   1.8580   0.8558  179.953   44.918  252.697   65.375 -72.74400 79.31868 
1 1 1   16   15   47 o  404.281   46.208   4.4313   0.9604   4.4313   0.9604   0.0000   0.0000  404.281   46.208  ?   ?       ?      ? 
1 1 1   16   15   49 o  223.826   38.526   1.0816   0.3778   0.7793   0.4209   2.3347   0.8570  166.103   47.115  281.549   60.969 -115.4465 77.05182 
1 1 1   16   15   51 o  392.905   42.788   4.7019   0.6913   4.8821   0.7965   4.1521   1.3916  425.617   36.400  360.193   77.448 65.42462 85.57565 
1 1 1   16   15   53 o  351.745   35.143   2.9542   0.5676   2.3238   0.6484   5.0210   1.1742  288.646   43.695  414.843   55.053 -126.1976 70.28570 
1 1 1   16   16    0 o  2816.06   44.325  202.826   6.2260  196.519   7.8589  213.456   10.203  2759.34   55.448  2872.78   69.170 -0.000000 0.000000 
1 1 1   16   16    2 o  415.895   29.557   4.5990   0.6096   5.1453   0.7960   3.8244   0.9478  446.895   34.646  384.896   47.896 61.99911 59.11307 
1 1 1   16   16    4 o  698.625   27.864   12.542   0.9765   12.399   1.2473   12.768   1.5695  693.724   34.971  703.527   43.391 -9.803589 55.72898 
1 1 1   16   16    6 o  1869.24   28.457   89.772   2.6874   88.402   3.4786   91.800   4.2326  1852.11   36.532  1886.38   43.642 -34.26221 56.91402 
1 1 1   16   16    8 o  1096.42   44.189   32.726   2.1067   34.298   2.4389   28.107   4.1809  1153.23   41.135  1039.61   78.221 113.6146 88.37813 
1 1 1   16   16   10 o  780.006   44.373   16.773   1.4911   17.752   1.7248   13.880   2.9663  829.671   40.437  730.342   78.997 99.32867 88.74512 
1 1 1   16   16   12 o  1494.68   40.197   57.301   2.6968   56.771   3.1211   58.864   5.3574  1483.53   40.920  1505.82   69.200 -22.29785 80.39376 
1 1 1   16   16   14 o  1671.56   38.303   69.246   2.9196   65.958   3.3797   78.916   5.7966  1598.89   41.114  1744.22   64.640 -145.3293 76.60697 
1 1 1   16   16   16 o  613.189   39.951   9.7440   1.1070   9.7514   1.2891   9.7232   2.1606  614.716   40.789  611.662   68.707 3.053345 79.90253 
1 1 1   16   16   18 o  345.622   40.992   3.1095   0.5424   3.0845   0.5978   3.2258   1.2892  345.906   33.617  345.337   74.776 0.5697021 81.98477 
1 1 1   16   16   20 o  1495.75   37.268   56.925   2.5827   55.615   3.0352   60.362   4.9165  1467.55   40.227  1523.96   62.749 -56.40967 74.53673 
1 1 1   16   16   22 o  1216.70   40.069   38.246   2.5064   38.246   2.5064   0.0000   0.0000  1216.70   40.069  ?   ?       ?      ? 
1 1 1   16   16   24 o  592.392   39.904   9.6920   1.0746   10.480   1.2855   7.8644   1.9579  636.647   39.275  548.138   69.476 88.50854 79.80886 
1 1 1   16   16   26 o  1157.91   57.374   34.999   3.4156   34.999   3.4156   0.0000   0.0000  1157.91   57.374  ?   ?       ?      ? 
1 1 1   16   16   28 o  598.999   33.444   9.2827   1.0300   9.2827   1.0300   0.0000   0.0000  598.999   33.444  ?   ?       ?      ? 
1 1 1   16   16   30 o  874.680   41.029   19.895   1.8451   19.895   1.8451   0.0000   0.0000  874.680   41.029  ?   ?       ?      ? 
1 1 1   16   16   32 o  136.798   40.221   0.4957   0.3017   0.4957   0.3017   0.0000   0.0000  136.798   40.221  ?   ?       ?      ? 
1 1 1   16   16   34 o  601.899   38.071   10.303   0.9620   10.949   1.1051   8.2793   1.9553  649.103   33.113  554.696   68.564 94.40759 76.14122 
1 1 1   16   16   36 o  307.311   67.881   2.6498   1.0439   2.6498   1.0439   0.0000   0.0000  307.311   67.881  ?   ?       ?      ? 
1 1 1   16   16   38 o  442.596   34.965   4.6735   0.6908   4.1919   0.7837   6.3519   1.4630  399.737   38.132  485.456   58.619 -85.71933 69.93015 
1 1 1   16   16   40 o  463.600   37.198   5.5212   0.8399   5.0273   1.0167   6.5824   1.4904  434.941   45.465  492.259   58.888 -57.31824 74.39688 
1 1 1   16   16   42 o  125.827   34.486   0.3197   0.2536   0.3667   0.2716   0.0000   0.7078  119.392   38.719  132.261   57.079 -12.86904 68.97202 
1 1 1   16   16   44 f  143.486   36.677   0.4843   0.2904   0.5174   0.3164   0.3074   0.7311  138.381   41.316  148.590   60.613 -10.20844 73.35463 
1 1 1   16   16   46 o  393.276   52.053   4.7161   1.0044   6.0844   1.3844   3.1956   1.4594  468.028   57.533  318.523   86.763 149.5049 104.1053 
1 1 1   16   16   48 o  164.687   39.396   0.6993   0.3319   0.7063   0.3631   0.6637   0.8183  158.833   43.285  170.540   65.838 -11.70660 78.79176 
1 1 1   16   16   50 o  365.422   43.933   3.8440   0.7325   3.7239   0.8718   4.1321   1.3505  367.379   46.157  363.464   74.766 3.915253 87.86572 
1 1 1   16   16   52 o  159.047   37.400   0.6866   0.3174   0.6795   0.3580   0.7126   0.6862  154.208   43.350  163.885   60.958 -9.676239 74.79992 
1 1 1   16   17    1 o  928.999   28.292   22.136   1.3343   21.546   1.7430   22.970   2.0737  914.333   37.078  943.666   42.743 -29.33337 56.58368 
1 1 1   16   17    3 o  1581.17   27.920   64.276   2.2288   63.517   2.8826   65.404   3.5143  1570.01   35.712  1592.32   42.928 -22.30786 55.84063 
1 1 1   16   17    5 f  1630.45   28.497   68.227   2.3576   66.630   3.0779   70.494   3.6673  1607.83   37.234  1653.06   43.150 -45.22754 56.99435 
1 1 1   16   17    7 o  1731.90   42.582   78.417   3.2799   79.204   3.7967   76.102   6.5120  1752.29   42.143  1711.51   74.006 40.78076 85.16422 
1 1 1   16   17    9 o  816.006   41.064   17.998   1.5741   15.248   2.7547   19.332   1.9180  766.432   69.909  865.580   43.101 -99.14746 82.12763 
1 1 1   16   17   11 o  243.932   32.951   1.5742   0.4012   1.1309   0.5548   2.0600   0.5807  205.254   52.398  282.609   39.968 -77.35500 65.90129 
1 1 1   16   17   13 o  1757.79   39.449   78.190   3.1346   76.302   3.6289   83.738   6.2215  1719.68   41.045  1795.91   67.381 -76.23706 78.89835 
1 1 1   16   17   15 o  390.854   48.208   4.5490   0.7742   5.0084   0.8931   3.1593   1.5532  440.593   39.425  341.115   87.988 99.47800 96.41689 
1 1 1   16   17   17 o  950.880   39.252   23.463   1.6880   23.508   1.9670   23.340   3.2876  954.341   40.090  947.419   67.495 6.922180 78.50355 
1 1 1   16   17   19 f  891.383   66.888   20.682   3.0654   0.0000   0.0000   20.682   3.0654  ?   ?   891.383   66.888      ?      ? 
1 1 1   16   17   21 o  896.716   56.898   20.879   2.6231   20.879   2.6231   0.0000   0.0000  896.716   56.898  ?   ?       ?      ? 
1 1 1   16   17   23 o  1697.87   37.485   74.726   2.9608   74.524   3.5067   75.229   5.5259  1697.59   40.179  1698.14   63.294 -0.5545654 74.96950 
1 1 1   16   17   25 o  559.290   37.950   8.1191   0.9891   8.0808   1.1724   8.2137   1.8423  558.542   40.827  560.037   63.984 -1.494507 75.90039 
1 1 1   16   17   27 o  180.321   38.533   0.5736   0.3513   0.3133   0.3971   1.5121   0.7539  124.901   46.388  235.741   61.542 -110.8398 77.06693 
1 1 1   16   17   29 o  321.050   45.049   3.3449   0.6576   4.1257   0.7857   1.5192   1.2014  398.664   38.333  243.436   81.536 155.2280 90.09753 
1 1 1   16   17   31 f  764.312   58.313   15.425   2.2914   15.425   2.2914   0.0000   0.0000  764.312   58.313  ?   ?       ?      ? 
1 1 1   16   17   33 o  629.183   34.157   10.290   1.1049   10.290   1.1049   0.0000   0.0000  629.183   34.157  ?   ?       ?      ? 
1 1 1   16   17   35 o  525.421   42.293   7.2419   1.1425   7.2419   1.1425   0.0000   0.0000  525.421   42.293  ?   ?       ?      ? 
1 1 1   16   17   37 f  583.712   34.801   8.7146   0.9022   8.3991   1.0335   9.7250   1.8494  566.790   35.465  600.634   59.889 -33.84375 69.60263 
1 1 1   16   17   39 o  437.168   44.445   5.8453   0.7543   6.3082   0.8602   4.3038   1.5696  490.889   34.082  383.447   82.097 107.4420 88.88998 
1 1 1   16   17   41 o  255.118   42.550   2.0703   0.5691   2.6250   0.6901   0.8905   1.0063  314.476   42.681  195.761   73.623 118.7150 85.09950 
1 1 1   16   17   43 o  503.145   43.295   7.6951   0.8646   8.2927   0.9943   5.8422   1.7507  561.328   34.453  444.962   79.441 116.3662 86.59079 
1 1 1   16   17   45 o  339.332   44.006   3.6727   0.6079   4.0220   0.6961   2.5498   1.2481  390.135   34.704  288.529   80.881 101.6061 88.01187 
1 1 1   16   17   47 o  380.249   37.581   3.8607   0.7347   3.8607   0.7347   0.0000   0.0000  380.249   37.581  ?   ?       ?      ? 
1 1 1   16   17   49 o  386.085   44.982   4.4599   0.7978   4.6331   0.9734   4.1056   1.3925  410.546   46.117  361.623   77.244 48.92325 89.96368 
1 1 1   16   17   51 o  188.356   34.710   0.5515   0.3040   0.2291   0.3336   2.1287   0.7378  108.256   41.969  268.456   55.298 -160.2002 69.42046 
1 1 1   16   18    0 o  1428.85   44.907   52.679   3.1683   51.814   3.9741   54.188   5.2485  1414.52   54.834  1443.18   71.132 -0.000000 0.000000 
1 1 1   16   18    2 o  1351.48   28.127   46.956   1.9271   46.272   2.5152   47.929   2.9989  1339.92   36.511  1363.04   42.794 -23.12390 56.25308 
1 1 1   16   18    4 f  589.529   26.567   8.9600   0.8051   8.7640   1.1392   9.1557   1.1379  583.067   38.003  595.992   37.135 -12.92456 53.13477 
1 1 1   16   18    6 o  2288.69   28.863  135.163   3.3515  135.492   4.4004  134.708   5.1719  2292.64   37.333  2284.75   44.029 7.885498 57.72610 
1 1 1   16   18    8 o  615.722   38.851   9.4505   1.1551   10.836   2.0762   8.8293   1.3902  646.669   62.447  584.776   46.239 61.89270 77.70293 
1 1 1   16   18   10 o  1739.94   30.425   78.354   2.7122   81.515   3.7325   74.818   3.9477  1777.57   40.842  1702.32   45.106 75.25452 60.84923 
1 1 1   16   18   12 o  1672.27   30.238   72.474   2.5866   75.840   3.5381   68.610   3.7909  1714.55   40.138  1629.99   45.236 84.55896 60.47580 
1 1 1   16   18   14 o  1789.52   29.873   82.632   2.7410   82.135   3.7366   83.212   4.0331  1783.96   40.740  1795.08   43.700 -11.12244 59.74517 
1 1 1   16   18   16 o  611.611   30.115   9.6341   0.9444   9.3261   1.2813   10.001   1.3975  601.010   41.465  622.211   43.685 -21.20154 60.23077 
1 1 1   16   18   18 o  794.221   44.270   16.335   1.7769   16.075   2.3016   16.719   2.7956  787.181   56.869  801.261   67.862 -14.08002 88.54030 
1 1 1   16   18   20 o  1933.83   56.790   97.102   5.6462   97.102   5.6462   0.0000   0.0000  1933.83   56.790  ?   ?       ?      ? 
1 1 1   16   18   22 o  355.091   45.335   3.5939   0.6833   3.8323   0.7908   2.8914   1.3576  384.982   39.955  325.201   81.391 59.78052 90.66946 
1 1 1   16   18   24 o  616.350   39.250   9.9883   1.1000   10.092   1.2890   9.7092   2.1097  624.323   40.159  608.377   67.450 15.94611 78.49966 
1 1 1   16   18   26 o  837.738   37.701   17.840   1.4751   17.200   1.7387   19.484   2.7867  814.157   41.538  861.318   62.929 -47.16144 75.40194 
1 1 1   16   18   28 o  541.424   34.526   7.2524   0.8113   6.9285   0.9172   8.4178   1.7397  517.158   34.495  565.690   59.819 -48.53162 69.05237 
1 1 1   16   18   30 o  457.215   64.600   5.5476   1.5185   0.0000   0.0000   5.5476   1.5185  ?   ?   457.215   64.600      ?      ? 
1 1 1   16   18   32 f  258.956   42.629   1.9684   0.5344   2.2210   0.6343   1.3508   0.9917  291.532   42.322  226.380   74.011 65.15260 85.25706 
1 1 1   16   18   34 o  1015.46   41.469   27.010   2.1650   27.010   2.1650   0.0000   0.0000  1015.46   41.469  ?   ?       ?      ? 
1 1 1   16   18   36 o  273.519   48.885   2.0374   0.6622   2.0374   0.6622   0.0000   0.0000  273.519   48.885  ?   ?       ?      ? 
1 1 1   16   18   38 o  180.228   44.616   0.8933   0.4112   0.8933   0.4112   0.0000   0.0000  180.228   44.616  ?   ?       ?      ? 
1 1 1   16   18   40 o  672.161   43.269   11.992   1.4953   11.992   1.4953   0.0000   0.0000  672.161   43.269  ?   ?       ?      ? 
1 1 1   16   18   42 o  206.430   38.642   1.3075   0.4127   1.5182   0.4714   0.6158   0.8540  239.643   38.258  173.218   67.150 66.42552 77.28376 
1 1 1   16   18   44 o  495.228   43.751   7.5090   0.8533   8.0698   0.9787   5.7316   1.7424  553.048   34.421  437.408   80.447 115.6400 87.50130 
1 1 1   16   18   46 o  310.871   47.108   2.6285   0.7529   2.6285   0.7529   0.0000   0.0000  310.871   47.108  ?   ?       ?      ? 
1 1 1   16   18   48 f  555.618   36.009   7.6204   0.8793   6.8195   0.9911   10.581   1.9055  503.754   38.268  607.481   61.010 -103.7271 72.01802 
1 1 1   16   18   50 o  191.657   41.476   1.1386   0.4440   1.2951   0.5180   0.7052   0.8622  211.695   48.622  171.619   67.208 40.07515 82.95176 
1 1 1   16   18   52 o  247.884   41.114   1.5747   0.4433   1.3151   0.4984   2.5583   0.9701  212.477   46.878  283.291   67.556 -70.81337 82.22741 
1 1 1   16   19    1 o  778.994   28.094   15.470   1.1122   14.548   1.4496   16.791   1.7343  751.212   37.533  806.776   41.813 -55.56415 56.18720 
1 1 1   16   19    3 o  1147.85   28.558   33.902   1.6687   33.427   2.2029   34.541   2.5560  1138.70   37.629  1157.00   42.969 -18.30457 57.11631 
1 1 1   16   19    5 o  1107.18   29.097   31.576   1.6417   31.280   2.1773   31.966   2.4994  1101.41   38.449  1112.94   43.682 -11.52649 58.19340 
1 1 1   16   19    7 o  1540.03   43.012   59.687   3.1709   56.828   3.7988   66.255   5.7580  1482.94   49.826  1597.11   70.124 -114.1788 86.02353 
1 1 1   16   19    9 o  1619.37   30.718   67.839   2.5512   70.573   3.5346   64.866   3.6860  1653.78   41.571  1584.96   45.235 68.82251 61.43562 
1 1 1   16   19   11 o  1885.06   30.263   91.791   2.9265   92.709   4.0186   90.754   4.2703  1895.39   41.239  1874.73   44.304 20.65332 60.52678 
1 1 1   16   19   13 o  1212.72   30.099   37.886   1.8732   36.621   2.5575   39.349   2.7513  1191.04   41.766  1234.40   43.353 -43.36230 60.19801 
1 1 1   16   19   15 o  1319.92   29.838   44.877   2.0195   43.524   2.7414   46.482   2.9862  1298.37   41.068  1341.46   43.298 -43.08154 59.67677 
1 1 1   16   19   17 o  548.592   35.747   7.6328   0.9835   8.5049   1.6097   7.1134   1.2423  572.742   54.667  524.442   46.075 48.29980 71.49374 
1 1 1   16   19   19 o  504.917   58.265   6.6234   1.5125   6.6234   1.5125   0.0000   0.0000  504.917   58.265  ?   ?       ?      ? 
1 1 1   16   19   21 o  533.833   40.658   7.4076   0.9698   7.4006   1.1223   7.4284   1.9265  534.921   40.810  532.744   70.335 2.177490 81.31691 
1 1 1   16   19   23 o  514.840   39.159   6.8130   0.9226   6.7025   1.0781   7.1155   1.7837  508.696   41.221  520.985   66.592 -12.28946 78.31817 
1 1 1   16   19   25 o  859.828   37.383   18.787   1.5035   18.110   1.7738   20.516   2.8332  835.506   41.295  884.150   62.328 -48.64349 74.76615 
1 1 1   16   19   27 o  602.206   42.184   10.337   1.1226   11.346   1.3316   7.8582   2.0871  661.130   39.177  543.283   74.720 117.8467 84.36791 
1 1 1   16   19   29 o  824.704   39.213   18.375   1.4935   19.066   1.7813   16.739   2.7404  855.911   40.479  793.497   67.172 62.41364 78.42657 
1 1 1   16   19   31 o  1041.73   38.411   29.180   1.8718   30.023   2.2467   27.265   3.3845  1072.72   40.737  1010.73   65.131 61.98981 76.82146 
1 1 1   16   19   33 o  1050.68   41.616   28.905   2.2480   28.905   2.2480   0.0000   0.0000  1050.68   41.616  ?   ?       ?      ? 
1 1 1   16   19   35 o  437.694   45.488   5.2046   1.0180   5.4753   1.3953   4.8966   1.4885  451.288   60.136  424.101   68.266 27.18689 90.97552 
1 1 1   16   19   37 o  602.162   39.210   9.7483   1.1068   9.7555   1.3217   9.7313   2.0248  608.029   42.280  596.294   66.045 11.73529 78.41915 
1 1 1   16   19   39 o  222.083   48.156   1.3643   0.5340   1.3643   0.5340   0.0000   0.0000  222.083   48.156  ?   ?       ?      ? 
1 1 1   16   19   41 f  319.526   37.111   2.6928   0.6096   2.6928   0.6096   0.0000   0.0000  319.526   37.111  ?   ?       ?      ? 
1 1 1   16   19   43 o  873.549   35.070   20.133   1.5750   20.133   1.5750   0.0000   0.0000  873.549   35.070  ?   ?       ?      ? 
1 1 1   16   19   45 o  283.030   72.124   2.4084   1.0525   2.4084   1.0525   0.0000   0.0000  283.030   72.124  ?   ?       ?      ? 
1 1 1   16   19   47 o  441.737   38.888   5.2954   0.7509   5.1427   0.8578   5.7958   1.5531  437.976   38.093  445.499   67.809 -7.522919 77.77600 
1 1 1   16   19   49 o  386.502   43.879   4.2003   0.7840   3.8929   0.9334   4.9368   1.4446  373.957   48.546  399.047   73.107 -25.08926 87.75702 
1 1 1   16   19   51 o  217.030   41.652   1.2332   0.3899   1.1084   0.4291   1.8240   0.9334  196.538   43.610  237.522   70.977 -40.98438 83.30447 
1 1 1   16   20    0 o  1928.70   45.301   97.061   4.2903   93.840   7.1198   98.898   5.3760  1901.10   73.090  1956.29   53.542 0.000000 0.000000 
1 1 1   16   20    2 o  1432.70   28.481   52.858   2.0742   52.360   2.7296   53.538   3.1909  1425.09   37.255  1440.32   43.091 -15.22412 56.96242 
1 1 1   16   20    4 o  999.391   26.853   25.736   1.3790   26.287   1.9897   25.227   1.9130  1009.65   38.330  989.136   37.618 20.50989 53.70572 
1 1 1   16   20    6 o  1687.10   43.659   72.649   3.5261   70.751   4.2442   76.879   6.3357  1654.49   49.895  1719.71   71.659 -65.21301 87.31869 
1 1 1   16   20    8 o  380.522   32.916   3.7770   0.6315   2.9013   0.8851   4.6848   0.9012  334.956   51.395  426.087   41.139 -91.13034 65.83214 
1 1 1   16   20   10 o  765.270   30.780   15.103   1.2100   14.683   1.6695   15.568   1.7561  754.102   43.060  776.438   43.993 -22.33569 61.55922 
1 1 1   16   20   12 o  1381.76   30.417   49.487   2.1519   51.962   2.9612   46.718   3.1324  1418.85   40.594  1344.67   45.310 74.17883 60.83485 
1 1 1   16   20   14 o  1340.56   35.644   46.649   2.3885   45.882   3.8406   47.133   3.0502  1330.47   56.147  1350.65   43.925 -20.17847 71.28777 
1 1 1   16   20   16 o  1654.90   39.848   71.106   3.3880   73.545   4.7663   68.616   4.8168  1683.94   55.054  1625.85   57.624 58.08997 79.69611 
1 1 1   16   20   18 o  1330.34   40.254   45.728   2.7532   45.728   2.7532   0.0000   0.0000  1330.34   40.254  ?   ?       ?      ? 
1 1 1   16   20   20 o  1106.73   29.667   31.562   1.6827   30.156   2.2733   33.267   2.5027  1079.74   40.951  1133.72   42.936 -53.98120 59.33432 
1 1 1   16   20   22 o  1320.58   29.761   45.323   2.0113   46.877   2.7455   43.522   2.9547  1345.67   39.683  1295.49   44.362 50.17664 59.52121 
1 1 1   16   20   24 o  1179.61   39.480   36.841   2.1192   37.418   2.4885   35.320   4.0426  1201.26   40.293  1157.96   67.905 43.30054 78.95902 
1 1 1   16   20   26 o  1546.20   38.120   62.171   2.7375   61.620   3.2352   63.561   5.1370  1540.14   40.857  1552.26   64.368 -12.11719 76.24036 
1 1 1   16   20   28 o  419.845   45.680   5.1149   0.8246   5.5862   0.9778   3.9549   1.5340  463.265   41.056  376.424   81.615 86.84140 91.35983 
1 1 1   16   20   30 o  788.442   44.003   16.440   1.7764   15.627   2.3863   17.450   2.6606  767.417   60.481  809.467   63.930 -42.04938 88.00587 
1 1 1   16   20   32 o  358.985   64.567   3.5484   1.1479   3.5484   1.1479   0.0000   0.0000  358.985   64.567  ?   ?       ?      ? 
1 1 1   16   20   34 o  836.430   39.751   19.433   1.5517   20.708   1.8819   16.725   2.7425  888.286   41.207  784.574   67.989 103.7121 79.50124 
1 1 1   16   20   36 o  506.763   38.439   6.5577   0.9334   6.0302   1.1138   7.8020   1.7106  477.297   45.390  536.229   62.047 -58.93216 76.87716 
1 1 1   16   20   38 o  583.923   38.748   9.0817   1.0777   8.8863   1.2958   9.5201   1.9411  578.957   43.534  588.889   64.113 -9.932434 77.49607 
1 1 1   16   20   40 o  661.787   45.617   12.112   1.5479   11.972   2.1099   12.275   2.2780  659.286   62.247  664.288   66.700 -5.001465 91.23409 
1 1 1   16   20   42 o  419.702   45.043   4.7190   0.9719   4.7190   0.9719   0.0000   0.0000  419.702   45.043  ?   ?       ?      ? 
1 1 1   16   20   44 o  355.542   44.941   3.4075   0.8215   3.4075   0.8215   0.0000   0.0000  355.542   44.941  ?   ?       ?      ? 
1 1 1   16   20   46 o  757.066   44.379   15.556   1.7274   15.556   1.7274   0.0000   0.0000  757.066   44.379  ?   ?       ?      ? 
1 1 1   16   20   48 o  314.023   42.274   2.3859   0.5498   2.0471   0.6089   3.8802   1.2788  273.725   43.269  354.322   72.636 -80.59772 84.54703 
1 1 1   16   20   50 o  283.438   43.891   2.0242   0.5038   1.7631   0.5537   3.2799   1.2142  249.003   44.901  317.872   75.430 -68.86986 87.78273 
1 1 1   16   21    1 o  1507.72   30.577   58.679   2.3702   58.424   3.3550   58.933   3.3489  1504.43   43.376  1511.01   43.109 -6.572632 61.15480 
1 1 1   16   21    3 o  1541.64   28.926   61.153   2.2786   59.850   3.0435   62.815   3.4372  1523.29   38.862  1559.99   42.856 -36.70728 57.85254 
1 1 1   16   21    5 o  337.281   39.852   3.0365   0.6648   3.4382   0.9112   2.5790   0.9723  364.739   48.590  309.823   63.181 54.91589 79.70438 
1 1 1   16   21    7 o  636.011   29.746   10.482   0.9610   10.720   1.2729   10.168   1.4655  644.637   38.407  627.385   45.433 17.25201 59.49217 
1 1 1   16   21    9 o  1438.71   31.111   53.446   2.3008   52.088   3.2256   54.854   3.2828  1420.07   44.181  1457.34   43.814 -37.27063 62.22200 
1 1 1   16   21   11 o  630.812   36.519   10.366   1.1473   10.021   1.8538   10.580   1.4606  621.702   57.996  639.922   44.394 -18.22058 73.03713 
1 1 1   16   21   13 f  1330.37   35.127   44.784   2.3549   50.842   3.8081   41.033   2.9965  1401.01   52.869  1259.73   46.266 141.2776 70.25462 
1 1 1   16   21   15 o  820.277   35.254   17.431   1.4132   17.442   1.7466   17.410   2.4046  821.609   41.349  818.945   57.112 2.664307 70.50874 
1 1 1   16   21   17 o  1213.46   40.439   37.756   2.1876   37.266   2.5211   39.250   4.4008  1200.81   40.837  1226.11   69.812 -25.29822 80.87893 
1 1 1   16   21   19 o  387.156   44.969   4.4914   0.7826   2.5558   1.2711   5.6732   0.9932  306.040   79.918  468.271   41.254 -162.2315 89.93748 
1 1 1   16   21   21 o  385.469   31.452   3.8796   0.6178   4.0939   0.8350   3.6204   0.9182  397.577   40.848  373.360   47.836 24.21616 62.90372 
1 1 1   16   21   23 o  1698.27   29.712   74.655   2.5883   72.236   3.5218   77.497   3.8168  1668.80   41.048  1727.75   42.969 -58.95520 59.42414 
1 1 1   16   21   25 o  804.475   30.389   16.864   1.2524   17.300   1.7145   16.366   1.8339  816.084   40.863  792.866   44.989 23.21808 60.77701 
1 1 1   16   21   27 o  1170.94   38.765   35.940   2.0963   35.832   2.4724   36.218   3.9536  1173.40   40.983  1168.48   65.812 4.915161 77.52950 
1 1 1   16   21   29 o  437.424   45.765   5.0329   1.0205   4.6258   1.3410   5.5929   1.5729  417.190   62.522  457.658   66.849 -40.46808 91.52979 
1 1 1   16   21   31 o  442.260   63.462   5.2353   1.4430   5.2353   1.4430   0.0000   0.0000  442.260   63.462  ?   ?       ?      ? 
1 1 1   16   21   33 o  270.918   45.683   1.9131   0.5791   1.7145   0.6816   2.4284   1.0981  249.267   54.690  292.570   73.190 -43.30254 91.36566 
1 1 1   16   21   35 o  550.573   44.670   9.0256   1.0868   10.192   1.3072   6.4156   1.9557  622.391   40.853  478.756   79.453 143.6356 89.34026 
1 1 1   16   21   37 o  734.142   37.353   14.084   1.3190   13.391   1.5889   15.622   2.3656  710.975   43.469  757.309   60.757 -46.33447 74.70530 
1 1 1   16   21   39 o  275.408   46.049   2.2087   0.5887   2.3051   0.6793   1.9179   1.1797  294.133   44.919  256.683   80.402 37.44995 92.09845 
1 1 1   16   21   41 o  118.050   33.068   0.2568   0.2348   0.2957   0.2519   0.0000   0.6475  109.617   37.335  126.483   54.589 -16.86578 66.13523 
1 1 1   16   21   43 o  338.216   46.108   3.5496   0.6912   3.9008   0.8177   2.6702   1.2938  381.926   41.644  294.508   82.278 87.41809 92.21633 
1 1 1   16   21   45 o  609.071   47.536   10.683   1.4853   9.7776   2.0507   11.682   2.1541  580.509   68.709  637.633   65.710 -57.12451 95.07268 
1 1 1   16   21   47 o  220.924   41.871   1.3621   0.4582   1.3621   0.4582   0.0000   0.0000  220.924   41.871  ?   ?       ?      ? 
1 1 1   16   21   49 o  539.055   67.374   8.7707   1.8672   8.7707   1.8672   0.0000   0.0000  539.055   67.374  ?   ?       ?      ? 
1 1 1   16   22    0 o   99.076   41.149   0.2841   0.3056   0.2801   0.3447   0.2987   0.6608   89.704   50.083  108.449   65.304 -0.000000 0.000000 
1 1 1   16   22    2 o  1388.48   28.899   49.880   2.0420   50.675   2.7141   48.842   3.0998  1401.68   37.663  1375.27   43.841 26.40381 57.79735 
1 1 1   16   22    4 f  198.844   43.271   1.0293   0.4660   1.0864   0.5590   0.8992   0.8435  201.317   53.207  196.371   68.254 4.945618 86.54197 
1 1 1   16   22    6 o  338.741   33.576   3.0988   0.5501   3.7849   0.7539   2.3174   0.8045  383.023   38.286  294.460   55.169 88.56326 67.15180 
1 1 1   16   22    8 o  1001.60   32.347   25.893   1.6636   26.532   2.4260   25.327   2.2856  1013.15   46.574  990.060   44.902 23.09027 64.69446 
1 1 1   16   22   10 o  550.097   41.938   8.6479   1.0650   5.6051   1.7428   10.461   1.3455  463.683   73.108  636.510   41.114 -172.8268 83.87600 
1 1 1   16   22   12 o  1777.81   39.994   81.996   3.6535   85.602   5.1922   78.459   5.1419  1816.81   55.587  1738.82   57.517 77.98914 79.98863 
1 1 1   16   22   14 o  1260.22   35.079   41.176   2.1655   41.272   2.6850   40.996   3.6631  1263.79   41.324  1256.66   56.697 7.128540 70.15835 
1 1 1   16   22   16 o  698.557   30.487   12.612   1.0916   12.504   1.4840   12.740   1.6113  695.439   41.506  701.674   44.666 -6.234802 60.97379 
1 1 1   16   22   18 o  286.410   40.435   1.9667   0.5676   3.1051   0.9825   1.3964   0.6954  345.493   55.315  227.327   58.992 118.1663 80.86922 
1 1 1   16   22   20 o  500.565   31.008   6.5293   0.7917   6.7861   1.0681   6.2162   1.1795  511.854   40.589  489.277   46.888 22.57748 62.01566 
1 1 1   16   22   22 o  1028.94   29.925   27.411   1.5780   26.654   2.1363   28.319   2.3410  1013.66   40.993  1044.22   43.606 -30.56207 59.84903 
1 1 1   16   22   24 o  319.259   32.172   2.6284   0.5250   2.2850   0.7069   3.0511   0.7842  296.134   46.427  342.383   44.550 -46.24872 64.34409 
1 1 1   16   22   26 o  224.157   35.366   1.3569   0.3973   1.1858   0.5429   1.5542   0.5831  208.722   51.018  239.592   48.993 -30.86971 70.73237 
1 1 1   16   22   28 o  348.388   44.197   3.3699   0.6746   3.4719   0.7882   3.0908   1.3041  364.746   42.031  332.030   77.762 32.71567 88.39410 
1 1 1   16   22   30 o  574.403   45.503   8.7380   1.3359   7.9123   1.7771   9.8111   2.0259  543.827   63.558  604.979   65.134 -61.15186 91.00597 
1 1 1   16   22   32 o  901.280   40.688   22.592   1.6815   23.899   2.0114   19.557   3.0645  954.766   40.976  847.794   70.307 106.9714 81.37628 
1 1 1   16   22   34 o  496.321   45.852   7.2137   0.9950   7.8946   1.1964   5.6871   1.7915  547.393   42.513  445.249   81.255 102.1447 91.70483 
1 1 1   16   22   36 o  725.567   43.231   15.373   1.4216   17.053   1.7209   11.762   2.5227  803.500   41.659  647.634   75.766 155.8661 86.46297 
1 1 1   16   22   38 o  533.278   41.405   7.8640   1.0179   8.0234   1.2098   7.4775   1.8834  549.800   42.800  516.756   70.892 33.04388 82.81015 
1 1 1   16   22   40 o  170.618   41.108   0.6409   0.3452   0.5705   0.3778   0.9977   0.8507  146.007   45.458  195.229   68.505 -49.22256 82.21526 
1 1 1   16   22   42 o  430.424   38.082   4.3473   0.7794   3.1300   0.9180   7.4913   1.4754  338.490   52.751  522.358   54.938 -183.8676 76.16321 
1 1 1   16   22   44 o  313.659   42.881   2.8238   0.5444   2.8317   0.6095   2.7926   1.2104  326.277   36.335  301.042   77.684 25.23523 85.76185 
1 1 1   16   22   46 o  201.128   48.063   1.1757   0.5910   1.2593   0.7895   1.0692   0.8914  206.616   65.905  195.641   69.977 10.97459 96.12683 
1 1 1   16   22   48 f  299.881   78.692   2.9350   1.2285   0.0000   0.0000   2.9350   1.2285  ?   ?   299.881   78.692      ?      ? 
1 1 1   16   22   50 o  287.489   54.150   2.4507   0.7710   2.4507   0.7710   0.0000   0.0000  287.489   54.150  ?   ?       ?      ? 
1 1 1   16   23    1 o  1345.37   56.516   46.902   3.9091   46.902   3.9091   0.0000   0.0000  1345.37   56.516  ?   ?       ?      ? 
1 1 1   16   23    3 o  302.359   66.876   2.4682   1.0120   2.4682   1.0120   0.0000   0.0000  302.359   66.876  ?   ?       ?      ? 
1 1 1   16   23    5 o  798.124   33.262   16.578   1.3520   15.527   2.0171   17.436   1.8219  774.632   50.647  821.616   43.130 -46.98340 66.52302 
1 1 1   16   23    7 o  1369.43   43.077   48.514   2.9879   49.655   4.6662   47.722   3.8901  1381.94   65.675  1356.92   55.762 25.02124 86.15464 
1 1 1   16   23    9 o  363.985   44.947   3.5391   0.8093   3.2527   1.2260   3.7603   1.0773  347.122   71.090  380.847   55.020 -33.72546 89.89462 
1 1 1   16   23   11 o  479.233   35.064   5.7534   0.8452   5.0696   1.0685   6.8961   1.3814  442.622   46.956  515.845   52.086 -73.22263 70.12737 
1 1 1   16   23   13 f  1635.90   30.652   69.045   2.5750   65.733   3.5415   72.761   3.7507  1594.40   43.204  1677.41   43.492 -83.00793 61.30337 
1 1 1   16   23   15 o  1763.08   30.404   80.331   2.7491   79.167   3.7451   81.691   4.0481  1749.60   41.635  1776.56   44.320 -26.95520 60.80890 
1 1 1   16   23   17 o  375.309   51.300   3.7911   0.9399   3.6822   1.2176   3.9518   1.4786  369.815   66.485  380.804   78.144 -10.98898 102.6000 
1 1 1   16   23   19 o  498.525   32.857   6.6580   0.8140   8.1332   1.1135   4.9645   1.1930  560.506   38.639  436.545   53.155 123.9609 65.71470 
1 1 1   16   23   21 o  936.339   30.110   22.641   1.4451   21.214   1.9531   24.367   2.1481  904.029   42.021  968.650   43.134 -64.62061 60.21902 
1 1 1   16   23   23 o  888.952   30.288   20.470   1.3804   19.525   1.8691   21.604   2.0474  866.683   41.947  911.221   43.703 -44.53723 60.57590 
1 1 1   16   23   25 o  250.411   35.918   1.6928   0.4457   1.6026   0.6067   1.7985   0.6569  243.150   50.199  257.672   51.386 -14.52226 71.83597 
1 1 1   16   23   27 o  495.698   30.853   6.4055   0.7841   6.2427   1.0644   6.5988   1.1596  489.058   42.331  502.338   44.898 -13.28073 61.70698 
1 1 1   16   23   29 o  767.643   59.169   15.679   2.3352   0.0000   0.0000   15.679   2.3352  ?   ?   767.643   59.169      ?      ? 
1 1 1   16   23   31 o  456.901   39.213   5.3748   0.8553   5.0794   1.0220   6.0653   1.5627  439.294   45.249  474.508   64.055 -35.21371 78.42541 
1 1 1   16   23   33 o  439.156   39.559   5.0450   0.8234   4.8552   0.9820   5.4943   1.5110  428.858   44.540  449.454   65.391 -20.59549 79.11890 
1 1 1   16   23   35 o  1022.23   39.500   28.116   1.8930   28.050   2.2594   28.273   3.4676  1030.08   42.664  1014.38   66.490 15.69427 79.00052 
1 1 1   16   23   37 o  198.006   44.441   1.0693   0.4827   1.1008   0.5727   0.9918   0.8971  198.565   54.460  197.446   70.244 1.119415 88.88259 
1 1 1   16   23   39 o  204.388   46.550   1.0597   0.5732   0.5995   0.7538   1.6908   0.8826  166.872   63.492  241.904   68.090 -75.03165 93.09932 
1 1 1   16   23   41 o  253.197   51.125   1.8928   0.7006   1.7137   0.9860   2.0754   0.9958  241.522   73.123  264.872   71.471 -23.34993 102.2502 
1 1 1   16   23   43 o  203.579   41.504   1.1482   0.4197   1.1482   0.4197   0.0000   0.0000  203.579   41.504  ?   ?       ?      ? 
1 1 1   16   23   45 o  754.432   41.133   15.891   1.4716   15.539   1.7676   16.686   2.6566  754.400   45.573  754.465   68.489 -0.6494141E-01 82.26566 
1 1 1   16   23   47 o  386.168   47.661   4.9140   0.7185   5.2594   0.8140   3.6964   1.5285  442.426   35.787  329.911   88.350 112.5155 95.32285 
1 1 1   16   23   49 o  222.753   41.407   1.6566   0.5151   2.0262   0.6122   0.7606   0.9533  269.849   44.129  175.657   70.076 94.19202 82.81306 
1 1 1   16   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24    2 o  1434.45   54.571   53.319   4.0245   0.0000   0.0000   53.319   4.0245  ?   ?   1434.45   54.571      ?      ? 
1 1 1   16   24    4 o  277.083   45.307   2.1276   0.5874   1.7522   1.1370   2.2643   0.6860  258.205   78.601  295.960   45.085 -37.75510 90.61381 
1 1 1   16   24    6 o  1256.99   32.799   40.759   2.1084   41.882   3.1668   39.864   2.8257  1272.16   48.418  1241.82   44.259 30.33777 65.59888 
1 1 1   16   24    8 o  474.221   34.601   5.7848   0.8018   5.7027   0.9873   5.9438   1.3741  469.823   40.876  478.619   55.840 -8.796600 69.20230 
1 1 1   16   24   10 o  1121.30   31.834   32.524   1.8340   34.118   2.6091   30.968   2.5784  1148.57   44.184  1094.02   45.841 54.55725 63.66853 
1 1 1   16   24   12 o  922.776   31.394   22.016   1.4858   19.977   2.0694   24.186   2.1345  878.505   45.817  967.047   42.932 -88.54150 62.78790 
1 1 1   16   24   14 o  1389.06   30.867   49.908   2.2014   49.140   3.0260   50.771   3.2085  1377.92   42.714  1400.19   44.571 -22.26416 61.73363 
1 1 1   16   24   16 o  552.501   47.520   7.9197   1.3347   7.5046   1.7431   8.5081   2.0752  535.761   63.283  569.240   70.907 -33.47827 95.04017 
1 1 1   16   24   18 o  358.535   34.673   3.3569   0.5924   2.1279   0.7902   4.9347   0.8953  280.638   56.716  436.431   39.902 -155.7925 69.34557 
1 1 1   16   24   20 o  1861.84   30.294   90.342   2.8836   93.407   3.9183   86.721   4.2590  1897.56   40.163  1826.12   45.363 71.44788 60.58826 
1 1 1   16   24   22 o  559.498   31.007   8.1361   0.8880   8.0336   1.1978   8.2612   1.3233  555.888   41.909  563.108   45.709 -7.219299 62.01366 
1 1 1   16   24   24 o  768.869   30.359   15.373   1.1967   15.007   1.6245   15.808   1.7696  759.187   41.620  778.550   44.209 -19.36316 60.71832 
1 1 1   16   24   26 o  775.696   30.938   15.880   1.2206   17.389   1.6665   14.134   1.7928  816.966   39.676  734.426   47.482 82.54041 61.87650 
1 1 1   16   24   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24   30 o  774.744   30.776   15.740   1.2240   15.274   1.6773   16.271   1.7904  762.777   42.769  786.711   44.266 -23.93439 61.55210 
1 1 1   16   24   32 o  331.634   32.567   2.9214   0.5521   3.0835   0.7562   2.7364   0.8079  342.121   42.993  321.146   48.930 20.97571 65.13466 
1 1 1   16   24   34 o  698.755   43.079   14.026   1.3660   15.162   1.6386   11.436   2.4732  757.756   42.060  639.755   75.194 118.0010 86.15812 
1 1 1   16   24   36 o  206.110   42.544   1.2050   0.4679   1.2923   0.5706   1.0260   0.8173  215.123   52.136  197.096   67.245 18.02689 85.08868 
1 1 1   16   24   38 o  855.231   47.068   20.628   2.0386   23.024   2.7870   17.871   2.9897  916.302   59.160  794.161   73.223 122.1417 94.13555 
1 1 1   16   24   40 o  335.601   43.093   3.0384   0.6637   2.8488   0.7846   3.5152   1.2444  325.297   46.914  345.905   72.300 -20.60809 86.18688 
1 1 1   16   24   42 o  234.460   53.053   1.5640   0.6246   1.5640   0.6246   0.0000   0.0000  234.460   53.053  ?   ?       ?      ? 
1 1 1   16   24   44 f  566.614   44.425   9.1749   1.1530   9.1649   1.3615   9.2001   2.1685  579.807   45.672  553.422   76.212 26.38531 88.84969 
1 1 1   16   24   46 o  506.217   48.193   8.0681   0.9276   8.4183   1.0465   6.7846   2.0036  559.773   36.363  452.661   89.265 107.1112 96.38684 
1 1 1   16   24   48 o  240.442   42.183   2.1117   0.5761   2.6540   0.6604   0.3864   1.1780  310.702   41.344  170.182   73.540 140.5200 84.36507 
1 1 1   16   25    1 o  663.578   32.169   11.460   1.0898   10.064   1.5585   12.795   1.5244  623.511   48.617  703.644   42.139 -80.13220 64.33706 
1 1 1   16   25    3 o  853.861   34.334   19.170   1.4771   17.102   2.2521   20.731   1.9567  812.112   53.940  895.611   42.494 -83.49945 68.66779 
1 1 1   16   25    5 o  785.185   27.764   15.910   1.1186   16.128   1.6383   15.719   1.5311  790.124   40.330  780.247   38.167 9.877380 55.52732 
1 1 1   16   25    7 o  344.500   33.397   3.1892   0.5605   3.8214   0.7693   2.4737   0.8185  384.648   38.899  304.353   54.297 80.29514 66.79314 
1 1 1   16   25    9 o  1526.78   33.455   60.474   2.6115   59.219   3.8814   61.512   3.5300  1511.65   49.942  1541.91   44.530 -30.25671 66.91071 
1 1 1   16   25   11 o  1096.34   32.000   31.131   1.8031   30.255   2.5526   32.004   2.5474  1080.82   45.936  1111.86   44.563 -31.03918 63.99955 
1 1 1   16   25   13 o  925.969   31.382   22.196   1.4932   21.239   2.0808   23.212   2.1440  905.355   44.704  946.583   44.055 -41.22772 62.76326 
1 1 1   16   25   15 o  806.864   42.332   16.472   1.5328   15.934   1.7650   18.120   3.0912  783.925   43.793  829.803   72.457 -45.87732 84.66369 
1 1 1   16   25   17 o  803.188   38.009   16.821   1.5014   16.855   2.5204   16.803   1.8692  802.085   61.118  804.291   45.203 -2.205383 76.01849 
1 1 1   16   25   19 o  1167.63   30.471   35.414   1.8230   35.272   2.4764   35.581   2.6935  1165.58   41.324  1169.68   44.791 -4.091675 60.94145 
1 1 1   16   25   21 o  293.713   35.961   2.3988   0.5085   3.3136   0.7117   1.4449   0.7268  357.260   38.749  230.165   60.590 127.0950 71.92102 
1 1 1   16   25   23 o  837.994   30.636   18.221   1.3159   17.251   1.7782   19.395   1.9563  813.679   42.508  862.309   44.127 -48.63055 61.27102 
1 1 1   16   25   25 o  358.903   34.361   3.4059   0.5978   2.3756   0.8087   4.6473   0.8876  295.666   55.228  422.139   40.897 -126.4735 68.72230 
1 1 1   16   25   27 o  453.848   60.595   5.4895   1.4139   5.4895   1.4139   0.0000   0.0000  453.848   60.595  ?   ?       ?      ? 
1 1 1   16   25   29 o  514.935   32.411   7.0687   0.8466   7.9862   1.1646   6.0406   1.2328  552.029   41.035  477.842   50.181 74.18680 64.82233 
1 1 1   16   25   31 o  402.420   31.772   4.2560   0.6542   3.7128   0.8962   4.8757   0.9572  374.670   46.525  430.170   43.282 -55.49933 63.54478 
1 1 1   16   25   33 o  779.326   30.903   16.028   1.2365   15.295   1.6961   16.859   1.8066  760.517   43.379  798.135   44.026 -37.61755 61.80629 
1 1 1   16   25   35 o  756.331   42.366   15.983   1.4575   16.497   1.7245   14.700   2.7270  788.981   42.514  723.681   73.294 65.30054 84.73184 
1 1 1   16   25   37 o  557.917   42.792   8.8328   1.1022   9.2795   1.3241   7.8245   1.9893  590.322   43.627  525.511   73.630 64.81097 85.58402 
1 1 1   16   25   39 o  396.462   45.867   4.4855   0.8121   4.5388   0.9628   4.3541   1.5120  411.292   45.533  381.631   79.637 29.66125 91.73489 
1 1 1   16   25   41 o  254.863   48.612   1.8147   0.6137   1.8147   0.6137   0.0000   0.0000  254.863   48.612  ?   ?       ?      ? 
1 1 1   16   25   43 o  422.763   54.320   6.5415   1.0060   8.1566   1.2134   2.9896   1.7993  549.151   42.976  296.375   99.779 252.7758 108.6409 
1 1 1   16   25   45 o  324.915   46.055   2.6179   0.6622   2.0276   0.7549   4.5892   1.3796  262.736   57.483  387.095   71.972 -124.3595 92.10992 
1 1 1   16   25   47 o  238.035   41.597   1.4017   0.4195   1.1888   0.4642   2.3496   0.9796  203.465   45.516  272.605   69.640 -69.14035 83.19489 
1 1 1   16   26    0 o  440.552   54.601   5.3934   1.0830   5.7284   1.7901   5.2001   1.3601  446.527   87.600  434.577   65.203 0.000000 0.000000 
1 1 1   16   26    2 f  1130.00   32.447   33.246   1.8732   30.419   2.7259   35.775   2.5784  1083.69   48.925  1176.31   42.634 -92.61365 64.89465 
1 1 1   16   26    4 o  271.841   33.976   1.9267   0.4621   1.6339   0.6236   2.2830   0.6880  246.639   50.868  297.044   45.053 -50.40544 67.95118 
1 1 1   16   26    6 o  711.460   28.600   13.185   1.0376   11.987   1.5212   14.227   1.4188  680.718   43.466  742.203   37.182 -61.48511 57.19927 
1 1 1   16   26    8 o  608.202   30.763   9.5268   0.9582   9.0763   1.2882   10.085   1.4335  592.299   42.304  624.105   44.675 -31.80603 61.52634 
1 1 1   16   26   10 o  877.573   33.246   20.130   1.4872   17.671   2.1462   22.403   2.0629  824.993   50.599  930.153   43.137 -105.1606 66.49108 
1 1 1   16   26   12 o  823.490   32.229   17.602   1.3631   18.461   1.9239   16.737   1.9316  843.862   44.344  803.117   46.782 40.74561 64.45865 
1 1 1   16   26   14 f  604.579   42.461   9.0533   1.1671   8.5207   1.3463   10.664   2.3413  572.860   45.711  636.297   71.571 -63.43683 84.92263 
1 1 1   16   26   16 o  489.057   39.331   6.3505   0.9414   5.9064   1.5642   6.6027   1.1789  474.109   64.172  504.004   45.494 -29.89493 78.66222 
1 1 1   16   26   18 o  642.422   31.164   10.697   1.0271   10.186   1.3977   11.296   1.5144  625.908   43.434  658.936   44.702 -33.02802 62.32806 
1 1 1   16   26   20 o  545.743   31.681   7.7826   0.8844   8.0119   1.2031   7.5129   1.3046  554.935   42.168  536.552   47.292 18.38226 63.36116 
1 1 1   16   26   22 f  812.314   30.796   17.228   1.2808   17.416   1.7394   17.006   1.8928  817.721   41.375  806.906   45.626 10.81488 61.59208 
1 1 1   16   26   24 o  905.161   30.810   21.486   1.4266   22.289   1.9468   20.553   2.0967  924.366   40.965  885.955   46.031 38.41132 61.61951 
1 1 1   16   26   26 o  467.465   62.193   5.8368   1.4947   5.8368   1.4947   0.0000   0.0000  467.465   62.193  ?   ?       ?      ? 
1 1 1   16   26   28 o  412.852   38.311   4.2593   0.7876   5.7822   1.3283   3.4335   0.9781  466.031   55.438  359.674   52.894 106.3568 76.62292 
1 1 1   16   26   30 f  177.510   36.000   0.8531   0.3544   1.0984   0.4989   0.6033   0.5035  199.692   48.970  155.329   52.780 44.36290 71.99912 
1 1 1   16   26   32 o  741.815   31.176   14.504   1.1843   12.811   1.6246   16.423   1.7300  695.142   45.457  788.487   42.677 -93.34576 62.35112 
1 1 1   16   26   34 o  353.168   36.806   3.4670   0.6275   4.4505   0.8847   2.4712   0.8902  410.001   41.968  296.336   60.476 113.6653 73.61185 
1 1 1   16   26   36 o  578.863   43.949   10.114   1.1622   6.5228   1.8959   12.276   1.4709  477.846   77.171  679.879   42.082 -202.0331 87.89877 
1 1 1   16   26   38 o  269.064   51.154   2.1947   0.7799   3.0686   1.0479   1.1095   1.1677  327.034   64.613  211.093   79.323 115.9408 102.3082 
1 1 1   16   26   40 o  414.783   65.130   4.8689   1.3889   4.8689   1.3889   0.0000   0.0000  414.783   65.130  ?   ?       ?      ? 
1 1 1   16   26   42 o  370.856   48.026   3.9641   0.7766   3.8929   0.8988   4.1740   1.5428  378.153   46.228  363.559   84.196 14.59338 96.05209 
1 1 1   16   26   44 o  185.676   44.519   0.9107   0.4627   0.8191   0.5397   1.1647   0.8983  170.427   54.506  200.925   70.405 -30.49773 89.03757 
1 1 1   16   26   46 o  224.286   45.578   1.6875   0.5806   2.0282   0.6825   0.7946   1.1048  264.091   52.117  184.480   74.788 79.61032 91.15639 
1 1 1   16   26   48 o  154.599   40.362   0.5640   0.3539   0.5057   0.3930   0.8135   0.8133  136.478   46.629  172.719   65.895 -36.24059 80.72397 
1 1 1   16   27    1 o  1059.09   32.390   29.060   1.7625   28.802   2.5323   29.301   2.4546  1054.39   46.714  1063.80   44.879 -9.411621 64.77903 
1 1 1   16   27    3 o  342.400   30.907   3.0272   0.5428   2.9310   0.7382   3.1404   0.8009  336.550   42.665  348.250   44.730 -11.69986 61.81479 
1 1 1   16   27    5 o  779.354   28.311   15.716   1.1309   15.614   1.6628   15.804   1.5426  776.795   41.637  781.913   38.373 -5.117310 56.62249 
1 1 1   16   27    7 o  394.278   30.549   4.1165   0.6033   3.1387   0.8701   5.0217   0.8372  347.778   48.664  440.778   36.942 -93.00058 61.09747 
1 1 1   16   27    9 o  1360.21   30.248   47.970   2.1016   48.249   2.8211   47.621   3.1502  1365.28   40.190  1355.13   45.216 10.14941 60.49572 
1 1 1   16   27   11 o  674.934   32.817   11.818   1.1382   12.166   1.6399   11.495   1.5811  684.475   46.601  665.393   46.217 19.08270 65.63314 
1 1 1   16   27   13 o  941.272   45.581   23.765   1.9096   24.310   2.2212   22.223   3.7389  967.505   44.655  915.039   79.476 52.46643 91.16135 
1 1 1   16   27   15 o  175.628   40.023   0.8054   0.4064   0.5342   0.7212   0.9317   0.4920  165.306   62.294  185.949   50.266 -20.64301 80.04525 
1 1 1   16   27   17 o  202.832   35.871   1.0833   0.3950   0.5520   0.5407   1.6912   0.5784  154.740   54.591  250.923   46.549 -96.18314 71.74277 
1 1 1   16   27   19 o  732.399   31.584   14.045   1.1828   14.761   1.6184   13.224   1.7329  753.162   41.797  711.636   47.364 41.52637 63.16863 
1 1 1   16   27   21 o  258.143   37.753   1.8280   0.4884   2.0977   0.6536   1.4872   0.7348  283.412   44.856  232.875   60.739 50.53662 75.50652 
1 1 1   16   27   23 o  530.488   39.363   7.6721   1.0169   6.5978   1.6630   8.3136   1.2851  497.247   65.052  563.729   44.339 -66.48239 78.72537 
1 1 1   16   27   25 o  789.619   37.148   16.892   1.4053   17.731   1.7294   15.261   2.4113  823.505   40.847  755.734   62.059 67.77112 74.29576 
1 1 1   16   27   27 o  515.554   37.829   6.8304   0.9808   8.1986   1.6037   6.0128   1.2397  554.564   56.246  476.545   50.600 78.01984 75.65724 
1 1 1   16   27   29 o  877.842   31.762   20.567   1.4164   23.067   1.9504   17.779   2.0604  937.059   40.484  818.625   48.954 118.4343 63.52491 
1 1 1   16   27   31 o  231.867   36.547   1.4884   0.4256   1.2738   0.5931   1.7162   0.6111  213.885   53.943  249.848   49.323 -35.96307 73.09360 
1 1 1   16   27   33 o  356.349   33.504   3.3544   0.6055   2.6623   0.8171   4.1975   0.9018  315.108   50.434  397.590   44.119 -82.48209 67.00831 
1 1 1   16   27   35 o  408.436   32.320   4.4241   0.6755   3.8821   0.9176   5.0655   0.9981  380.920   46.854  435.952   44.532 -55.03198 64.64065 
1 1 1   16   27   37 o  394.102   54.437   4.9164   1.0587   6.7195   1.4187   2.6505   1.5904  495.689   55.671  292.515   93.564 203.1743 108.8738 
1 1 1   16   27   39 o  220.845   65.483   1.4140   0.7968   1.4140   0.7968   0.0000   0.0000  220.845   65.483  ?   ?       ?      ? 
1 1 1   16   27   41 o  399.583   48.038   4.9735   0.8377   5.4225   1.0000   3.9173   1.5338  447.988   43.418  351.179   85.705 96.80869 96.07524 
1 1 1   16   27   43 o  211.704   43.355   1.4243   0.4955   1.6307   0.5702   0.7880   1.0011  239.799   47.924  183.610   72.263 56.18860 86.71000 
1 1 1   16   27   45 o  481.408   48.611   7.0552   1.0296   7.1358   1.2185   6.8540   1.9250  506.766   46.768  456.050   85.234 50.71588 97.22173 
1 1 1   16   27   47 o  364.159   52.774   4.1517   0.9994   2.1299   1.3055   7.0146   1.5535  245.999   84.947  482.318   62.647 -236.3184 105.5489 
1 1 1   16   28    0 o  251.160   58.080   2.3758   0.7733   3.0947   0.9629   1.0702   1.2977  328.947   63.847  173.373   97.041 -0.000000 0.000000 
1 1 1   16   28    2 o  758.108   33.185   14.967   1.2875   14.161   1.8810   15.678   1.7659  738.436   49.547  777.781   44.161 -39.34430 66.37080 
1 1 1   16   28    4 o  475.128   31.088   5.8214   0.7574   5.4340   1.0266   6.2839   1.1219  457.906   43.607  492.350   44.320 -34.44370 62.17570 
1 1 1   16   28    6 o  1080.38   28.313   30.255   1.5666   29.802   2.3097   30.642   2.1320  1072.50   41.887  1088.25   38.105 -15.74805 56.62632 
1 1 1   16   28    8 o  192.851   33.154   0.9932   0.3568   1.5078   0.4950   0.4367   0.5147  241.275   39.902  144.427   52.960 96.84837 66.30891 
1 1 1   16   28   10 o  330.549   32.611   2.8296   0.5509   2.7548   0.7359   2.9249   0.8310  325.764   43.937  335.334   48.202 -9.570709 65.22179 
1 1 1   16   28   12 o  553.378   33.664   7.9665   0.9571   8.0797   1.3826   7.8623   1.3264  557.053   48.275  549.703   46.933 7.350586 67.32872 
1 1 1   16   28   14 o  961.507   38.401   23.351   1.8147   27.029   3.1448   21.515   2.2220  1014.34   60.302  908.671   47.564 105.6729 76.80285 
1 1 1   16   28   16 f  271.776   37.380   1.9955   0.5033   1.9466   0.6994   2.0479   0.7248  268.306   52.585  275.247   53.141 -6.941162 74.76026 
1 1 1   16   28   18 o  1280.56   31.314   42.635   2.0586   40.319   2.8214   45.272   3.0104  1243.54   44.130  1317.58   44.440 -74.04382 62.62899 
1 1 1   16   28   20 o  516.885   33.108   7.0810   0.8673   7.7616   1.1726   6.2586   1.2889  545.593   41.803  488.177   51.353 57.41556 66.21619 
1 1 1   16   28   22 o  363.650   42.172   3.5490   0.7469   3.6091   1.2104   3.5121   0.9492  361.958   67.529  365.342   50.534 -3.384003 84.34335 
1 1 1   16   28   24 o  699.763   35.532   12.556   1.2195   11.765   1.4938   14.136   2.1116  669.958   43.369  729.569   56.295 -59.61145 71.06351 
1 1 1   16   28   26 o  530.068   47.712   7.4583   1.2842   6.6613   1.6640   8.6321   2.0194  496.683   65.162  563.453   69.710 -66.76990 95.42305 
1 1 1   16   28   28 o  521.897   31.942   7.1779   0.8561   6.8308   1.1773   7.5673   1.2471  508.585   45.025  535.208   45.322 -26.62256 63.88479 
1 1 1   16   28   30 o  111.338   30.579   0.1609   0.2552   0.3890   0.3967   0.0000   0.3332  130.187   46.669   92.489   39.526 37.69737 61.15802 
1 1 1   16   28   32 o  208.044   40.916   1.0997   0.4502   1.7221   0.7530   0.7535   0.5616  246.801   59.940  169.288   55.711 77.51285 81.83227 
1 1 1   16   28   34 o  430.879   33.727   5.0441   0.7337   5.9315   1.0198   4.0918   1.0564  472.712   41.959  389.047   52.816 83.66537 67.45480 
1 1 1   16   28   36 o  227.102   40.800   1.6517   0.5276   2.1754   0.6276   0.3889   0.9745  285.616   42.739  168.589   69.512 117.0274 81.59941 
1 1 1   16   28   38 o  474.111   48.188   6.4832   1.1294   5.3359   1.5940   7.6397   1.6005  424.058   75.901  524.163   59.390 -100.1044 96.37531 
1 1 1   16   28   40 o  236.001   43.904   1.7961   0.5608   2.1509   0.6531   0.7995   1.0946  281.719   45.088  190.282   75.347 91.43730 87.80753 
1 1 1   16   28   42 o  362.925   49.862   4.2688   0.7934   4.6526   0.9317   3.2562   1.5133  413.318   43.847  312.533   89.567 100.7854 99.72353 
1 1 1   16   28   44 o  215.199   44.174   1.4196   0.4994   1.4916   0.5945   1.2468   0.9204  226.118   52.195  204.279   71.282 21.83897 88.34879 
1 1 1   16   28   46 o  210.324   44.533   1.4579   0.5341   1.7061   0.6319   0.8371   0.9993  240.052   52.648  180.596   71.840 59.45560 89.06639 
1 1 1   16   29    1 o  1150.70   32.829   34.356   1.9411   35.984   2.7909   32.831   2.7015  1177.16   46.115  1124.25   46.738 52.91370 65.65794 
1 1 1   16   29    3 o  979.264   42.328   24.587   1.7918   24.174   2.0349   26.010   3.7808  965.805   40.981  992.722   74.077 -26.91724 84.65672 
1 1 1   16   29    5 o  698.427   30.852   12.632   1.1060   12.210   1.5123   13.117   1.6217  686.020   42.878  710.833   44.373 -24.81317 61.70477 
1 1 1   16   29    7 f  1185.59   28.433   36.413   1.7280   36.781   2.5492   36.101   2.3504  1190.76   41.640  1180.42   38.729 10.34082 56.86658 
1 1 1   16   29    9 o  808.151   34.028   17.021   1.4072   16.832   2.0866   17.179   1.9059  803.500   50.512  812.802   45.609 -9.302673 68.05580 
1 1 1   16   29   11 o  466.098   34.294   5.6814   0.8182   5.4185   1.1970   5.9119   1.1209  455.591   51.103  476.606   45.746 -21.01523 68.58738 
1 1 1   16   29   13 o  851.654   51.010   19.219   2.2088   18.944   2.9075   19.593   3.3965  846.436   66.813  856.872   77.099 -10.43604 102.0208 
1 1 1   16   29   15 o  269.074   36.313   1.9560   0.4839   1.9730   0.6756   1.9381   0.6933  270.496   50.434  267.651   52.259 2.844116 72.62698 
1 1 1   16   29   17 o  676.154   32.307   11.942   1.1222   11.979   1.5587   11.902   1.6171  677.461   44.752  674.848   46.607 2.613464 64.61393 
1 1 1   16   29   19 o  240.910   37.046   1.6136   0.4602   2.1824   0.6334   0.9776   0.6697  289.141   42.607  192.679   60.617 96.46140 74.09295 
1 1 1   16   29   21 o  355.669   48.329   3.5703   0.8505   2.5449   1.2445   4.4690   1.1650  300.309   79.395  411.029   55.130 -110.7201 96.65881 
1 1 1   16   29   23 o  1292.22   36.678   44.493   2.2942   45.190   2.8224   43.136   3.9390  1313.61   41.791  1270.82   60.288 42.79016 73.35606 
1 1 1   16   29   25 o  281.750   46.437   2.7561   0.6899   3.5031   0.7920   0.4055   1.4049  365.240   42.177  198.261   82.746 166.9788 92.87494 
1 1 1   16   29   27 o  680.046   31.809   12.166   1.1097   11.439   1.5098   13.020   1.6365  658.200   44.617  701.892   45.349 -43.69196 63.61774 
1 1 1   16   29   29 o  169.652   32.502   0.7219   0.3313   0.1643   0.4576   1.3365   0.4804  118.112   48.040  221.192   43.793 -103.0804 65.00459 
1 1 1   16   29   31 o  654.632   32.504   11.432   1.0905   11.717   1.4962   11.108   1.5926  664.415   43.801  644.849   48.036 19.56647 65.00791 
1 1 1   16   29   33 o  160.169   35.975   0.6853   0.3346   0.5989   0.4811   0.7662   0.4656  152.882   51.594  167.456   50.149 -14.57338 71.95010 
1 1 1   16   29   35 o  363.484   34.208   3.5402   0.6340   2.9639   0.8666   4.2039   0.9300  330.912   50.939  396.055   45.673 -65.14279 68.41634 
1 1 1   16   29   37 o  307.783   70.446   2.7992   1.0907   0.0000   0.0000   2.7992   1.0907  ?   ?   307.783   70.446      ?      ? 
1 1 1   16   29   39 f  205.391   37.881   1.2079   0.4040   1.1956   0.5606   1.2211   0.5826  204.463   52.922  206.320   54.215 -1.856888 75.76281 
1 1 1   16   29   41 o  251.435   37.321   1.8212   0.4665   1.9126   0.6438   1.7201   0.6771  259.468   50.073  243.402   55.356 16.06525 74.64276 
1 1 1   16   29   43 o  471.234   44.977   6.0777   0.9719   5.5515   1.1263   7.6124   1.9235  446.017   49.115  496.451   75.362 -50.43317 89.95380 
1 1 1   16   29   45 o  188.224   43.172   1.0774   0.4616   1.1576   0.5412   0.8630   0.8845  197.523   52.422  178.925   68.610 18.59874 86.34479 
1 1 1   16   30    0 o  1042.73   47.677   27.922   2.4922   32.800   3.9750   24.762   3.1990  1115.83   69.920  969.624   64.836 0.000000 0.000000 
1 1 1   16   30    2 o  1241.72   45.030   41.834   2.5296   37.633   4.7791   43.468   2.9815  1190.19   78.101  1293.26   44.842 -103.0620 90.05914 
1 1 1   16   30    4 o  1029.93   34.291   27.362   1.8014   29.693   2.7634   25.639   2.3756  1067.19   50.366  992.670   46.547 74.52173 68.58110 
1 1 1   16   30    6 f  298.537   36.998   2.3204   0.5291   2.5225   0.9063   2.2158   0.6518  305.070   59.921  292.004   43.414 13.06613 73.99563 
1 1 1   16   30    8 o  203.927   34.729   1.1371   0.3601   1.0006   0.5340   1.2508   0.4876  192.569   52.498  215.285   45.480 -22.71553 69.45798 
1 1 1   16   30   10 o  232.832   43.320   1.6579   0.5462   2.0535   0.6272   0.4149   1.1117  280.943   43.421  184.721   74.975 96.22237 86.64056 
1 1 1   16   30   12 o  1358.10   50.786   48.270   3.5132   43.140   4.6023   55.433   5.4386  1274.07   70.261  1442.13   73.352 -168.0535 101.5729 
1 1 1   16   30   14 o  561.398   33.096   8.2293   0.9550   8.4513   1.3681   8.0183   1.3337  568.783   46.784  554.012   46.825 14.77057 66.19151 
1 1 1   16   30   16 o  862.778   32.311   19.464   1.4291   17.588   2.0000   21.421   2.0428  819.722   47.457  905.834   43.863 -86.11230 64.62270 
1 1 1   16   30   18 o  471.407   44.400   6.2936   0.9600   5.0580   1.6195   6.9630   1.1920  426.997   76.583  515.817   44.949 -88.81952 88.79951 
1 1 1   16   30   20 o  245.666   45.592   1.5291   0.6191   2.6475   0.9608   0.7354   0.8095  309.924   62.459  181.408   66.432 128.5166 91.18317 
1 1 1   16   30   22 o  473.966   33.268   5.8578   0.8012   4.7230   1.0813   7.2397   1.1932  422.890   49.732  525.042   44.203 -102.1528 66.53664 
1 1 1   16   30   24 o  538.037   51.940   8.4539   1.1210   8.8324   1.2793   7.2018   2.3264  579.581   42.931  496.493   94.593 83.08835 103.8795 
1 1 1   16   30   26 o  216.063   44.803   1.3136   0.5252   1.1078   0.8710   1.4311   0.6584  205.480   69.422  226.645   56.656 -21.16508 89.60646 
1 1 1   16   30   28 o  382.056   34.660   3.9083   0.6775   4.2310   0.9439   3.5654   0.9731  399.213   45.988  364.900   51.868 34.31293 69.31960 
1 1 1   16   30   30 o  588.802   32.460   9.2606   0.9770   9.5448   1.3266   8.9237   1.4442  599.953   43.009  577.651   48.628 22.30157 64.91907 
1 1 1   16   30   32 o  744.270   31.940   14.713   1.2194   13.556   1.6645   16.054   1.7914  712.671   45.429  775.869   44.910 -63.19727 63.87992 
1 1 1   16   30   34 o  449.080   33.787   5.4426   0.7769   5.6852   1.0690   5.1709   1.1311  460.806   45.121  437.354   50.302 23.45166 67.57371 
1 1 1   16   30   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   30   38 o  171.750   41.614   0.7946   0.4289   0.6449   0.7763   0.8603   0.5145  168.416   64.349  175.084   52.784 -6.667770 83.22822 
1 1 1   16   30   40 o  312.241   38.816   2.7318   0.5876   1.4401   0.7783   4.4430   0.8959  219.909   64.590  404.573   43.070 -184.6646 77.63293 
1 1 1   16   30   42 o  251.002   35.650   1.7936   0.4550   0.9792   0.6177   2.7596   0.6727  183.626   58.263  318.379   41.098 -134.7526 71.29930 
1 1 1   16   30   44 o  477.117   42.418   6.1170   0.9512   5.3012   1.1115   8.3491   1.8387  432.460   49.993  521.774   68.541 -89.31439 84.83590 
1 1 1   16   31    1 o  930.434   33.570   22.585   1.6041   21.831   2.2961   23.305   2.2419  914.871   48.816  945.997   46.096 -31.12622 67.14073 
1 1 1   16   31    3 o  605.162   35.105   9.5834   1.0811   9.3726   1.6398   9.7454   1.4378  598.567   53.286  611.758   45.715 -13.19135 70.20937 
1 1 1   16   31    5 f  339.491   37.259   3.1271   0.5941   1.6947   0.8092   4.8026   0.8752  248.889   63.139  430.093   39.578 -181.2041 74.51823 
1 1 1   16   31    7 o  1976.94   28.462  101.255   2.8851  105.334   4.2692   97.827   3.9140  2012.94   41.252  1940.93   39.223 72.01648 56.92304 
1 1 1   16   31    9 o  922.820   35.159   22.672   1.5982   23.838   2.0239   20.741   2.6050  957.380   41.119  888.259   57.042 69.12030 70.31732 
1 1 1   16   31   11 o  608.623   34.902   9.7270   1.0846   9.3709   1.6142   10.020   1.4643  597.723   52.529  619.523   45.972 -21.80060 69.80497 
1 1 1   16   31   13 o  441.427   34.687   5.0900   0.7858   5.3451   1.1542   4.8696   1.0728  451.597   49.714  431.257   48.387 20.33948 69.37393 
1 1 1   16   31   15 o  1115.97   41.909   33.813   2.2155   30.680   3.8843   35.324   2.6973  1069.81   70.622  1162.13   45.145 -92.31458 83.81844 
1 1 1   16   31   17 o  1186.54   43.940   37.772   2.6507   35.307   3.9723   39.750   3.5589  1147.79   67.315  1225.28   56.495 -77.49011 87.88088 
1 1 1   16   31   19 o  338.721   42.311   3.2922   0.6701   3.7238   0.8404   2.5388   1.1103  376.952   43.364  300.490   72.668 76.46176 84.62285 
1 1 1   16   31   21 o  341.523   45.851   3.4073   0.7301   2.5991   1.2480   3.8278   0.9002  301.749   79.378  381.298   45.919 -79.54950 91.70272 
1 1 1   16   31   23 o  769.628   32.700   15.810   1.2787   17.366   1.7439   14.000   1.8806  812.945   41.724  726.311   50.362 86.63361 65.40022 
1 1 1   16   31   25 o  438.953   45.001   5.6231   0.9089   4.2120   1.4796   6.4781   1.1518  383.055   77.787  494.852   45.271 -111.7964 90.00174 
1 1 1   16   31   27 o  541.918   32.724   7.7519   0.9069   6.7205   1.2337   8.9646   1.3376  502.378   47.764  581.457   44.745 -79.07935 65.44810 
1 1 1   16   31   29 o  477.691   33.112   6.0686   0.8119   5.6942   1.1135   6.4936   1.1865  461.989   46.881  493.394   46.773 -31.40466 66.22304 
1 1 1   16   31   31 o  406.207   37.603   4.6651   0.7256   6.0323   1.0066   3.1864   1.0468  476.978   41.049  335.435   63.016 141.5435 75.20657 
1 1 1   16   31   33 o  819.558   31.980   17.881   1.3421   15.840   1.8273   20.271   1.9775  768.330   46.259  870.785   44.170 -102.4552 63.96036 
1 1 1   16   31   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   31   37 o  266.069   38.503   2.0195   0.5089   2.1112   0.7180   1.9270   0.7215  272.876   53.088  259.262   55.782 13.61389 77.00606 
1 1 1   16   31   39 o  313.652   37.411   2.7793   0.5866   2.8671   0.7998   2.6770   0.8630  322.931   48.176  304.375   57.249 18.55618 74.82209 
1 1 1   16   31   41 o  183.301   38.427   0.9746   0.3926   1.1464   0.5512   0.7979   0.5593  198.160   53.053  168.442   55.605 29.71803 76.85392 
1 1 1   16   31   43 o  296.332   46.610   2.8968   0.6968   1.9600   1.1400   3.4557   0.8805  242.579   79.352  350.086   48.920 -107.5075 93.21936 
1 1 1   16   32    0 o  518.599   53.451   7.2041   1.3079   9.0746   2.0958   6.0111   1.6737  575.429   74.241  461.769   76.918 0.000000 0.000000 
1 1 1   16   32    2 o  398.558   37.960   4.1715   0.7321   5.8037   1.1001   2.8739   0.9809  471.814   45.352  325.302   60.886 146.5113 75.92065 
1 1 1   16   32    4 o  688.049   31.562   12.408   1.1091   13.112   1.5133   11.591   1.6303  709.905   41.463  666.192   47.598 43.71259 63.12448 
1 1 1   16   32    6 o  276.880   34.145   2.1002   0.4621   1.5700   0.6771   2.5625   0.6321  239.773   55.946  313.987   39.159 -74.21399 68.28904 
1 1 1   16   32    8 o  645.731   34.522   10.667   1.1164   9.8999   1.4060   11.976   1.8363  616.004   44.395  675.457   52.878 -59.45306 69.04388 
1 1 1   16   32   10 o  939.080   34.416   23.125   1.6514   22.839   2.4669   23.357   2.2230  932.791   51.440  945.369   45.737 -12.57800 68.83250 
1 1 1   16   32   12 o  613.314   35.549   9.8471   1.1133   10.130   1.6849   9.6282   1.4832  620.427   52.823  606.201   47.589 14.22644 71.09812 
1 1 1   16   32   14 o  1000.19   46.294   26.959   2.3197   25.557   3.6592   27.902   2.9995  973.599   73.103  1026.78   56.820 -53.18268 92.58752 
1 1 1   16   32   16 o  656.971   36.818   10.992   1.2197   9.3618   1.5515   13.628   1.9734  595.938   50.640  718.004   53.458 -122.0658 73.63530 
1 1 1   16   32   18 o  1213.50   32.425   38.766   2.0203   40.147   2.8220   37.314   2.8935  1236.55   44.389  1190.45   47.277 46.10254 64.85020 
1 1 1   16   32   20 o  402.619   34.566   4.3239   0.7049   5.1574   0.9970   3.4908   0.9967  442.874   43.785  362.364   53.498 80.50961 69.13159 
1 1 1   16   32   22 o  764.635   32.193   15.444   1.2631   15.507   1.7351   15.374   1.8422  766.958   44.004  762.313   47.003 4.644409 64.38674 
1 1 1   16   32   24 o  299.310   55.389   2.3800   0.8490   1.7129   1.0546   3.6088   1.4313  246.348   75.833  352.272   80.752 -105.9244 110.7773 
1 1 1   16   32   26 o  328.541   36.693   2.8949   0.6194   2.9124   0.8618   2.8761   0.8907  329.848   50.820  327.233   52.942 2.615204 73.38595 
1 1 1   16   32   28 o  406.547   39.597   4.2866   0.8072   5.4285   1.3342   3.6272   1.0139  446.588   58.109  366.507   53.806 80.08105 79.19453 
1 1 1   16   32   30 o  616.594   33.745   10.384   1.0462   12.189   1.4382   8.3539   1.5247  677.829   41.268  555.358   53.402 122.4709 67.48923 
1 1 1   16   32   32 o  206.268   37.266   1.2246   0.4085   1.5637   0.5537   0.8194   0.6052  237.584   46.996  174.953   57.848 62.63071 74.53159 
1 1 1   16   32   34 f  674.811   44.922   12.250   1.5585   12.250   1.5585   0.0000   0.0000  674.811   44.922  ?   ?       ?      ? 
1 1 1   16   32   36 o  294.406   38.241   2.4568   0.5609   2.7726   0.7753   2.1100   0.8125  319.243   47.235  269.569   60.152 49.67349 76.48149 
1 1 1   16   32   38 o  239.200   36.950   1.6401   0.4419   1.5094   0.6162   1.7784   0.6340  228.713   53.378  249.686   51.109 -20.97299 73.90041 
1 1 1   16   32   40 o  228.619   39.298   1.5398   0.4581   1.6528   0.6431   1.4234   0.6527  238.006   53.818  219.233   57.279 18.77332 78.59543 
1 1 1   16   32   42 o  394.764   35.345   4.3725   0.7141   3.8662   0.9666   4.9806   1.0595  369.116   50.937  420.413   49.016 -51.29669 70.69019 
1 1 1   16   33    1 o  368.777   36.113   3.5665   0.6846   3.6556   0.9693   3.4780   0.9669  373.452   50.485  364.103   51.653 9.348755 72.22699 
1 1 1   16   33    3 o  354.742   36.649   3.3291   0.6627   2.9948   0.9675   3.6246   0.9096  337.249   55.800  372.234   47.528 -34.98569 73.29811 
1 1 1   16   33    5 o  193.792   36.912   1.0169   0.3799   1.2173   0.5398   0.8204   0.5347  211.344   50.389  176.240   53.952 35.10309 73.82368 
1 1 1   16   33    7 o  417.819   36.140   4.4753   0.7547   4.1479   0.9472   5.0446   1.2490  398.188   46.266  437.450   55.533 -39.26215 72.28087 
1 1 1   16   33    9 o  716.688   45.849   13.444   1.6894   0.0000   0.0000   13.444   1.6894  ?   ?   716.688   45.849      ?      ? 
1 1 1   16   33   11 o  769.050   49.358   16.329   1.8473   14.281   3.0344   17.536   2.3286  723.626   81.561  814.475   55.610 -90.84900 98.71542 
1 1 1   16   33   13 o  507.889   38.782   6.8318   1.0045   6.8739   1.3415   6.7782   1.5155  510.627   51.099  505.151   58.352 5.476624 77.56302 
1 1 1   16   33   15 o  348.864   37.999   3.2741   0.6456   4.3638   0.9462   2.3251   0.8830  407.661   45.145  290.067   61.137 117.5941 75.99843 
1 1 1   16   33   17 o  294.946   38.322   2.4154   0.5545   3.4213   0.7927   1.4516   0.7760  361.073   42.704  228.819   63.646 132.2538 76.64484 
1 1 1   16   33   19 o  102.355   28.782   0.1339   0.2320   0.0000   0.3410   0.2493   0.3165   93.739   40.019  110.972   41.378 -17.23317 57.56419 
1 1 1   16   33   21 o  424.206   34.203   4.7906   0.7431   5.1287   1.0349   4.4307   1.0676  440.419   45.704  407.993   50.898 32.42590 68.40674 
1 1 1   16   33   23 f  269.017   54.095   1.9389   0.7710   1.4580   0.9662   2.7820   1.2794  229.225   72.885  308.809   79.954 -79.58365 108.1892 
1 1 1   16   33   25 o  568.390   33.367   8.5486   0.9708   7.5479   1.3184   9.7341   1.4350  531.857   48.213  604.922   46.141 -73.06519 66.73493 
1 1 1   16   33   27 o  221.264   40.590   1.3687   0.4640   1.2552   0.6226   1.5103   0.6957  211.364   56.292  231.164   58.491 -19.80035 81.17903 
1 1 1   16   33   29 o  502.952   33.568   6.7283   0.8637   6.2638   1.1534   7.3213   1.3032  483.823   46.368  522.081   48.552 -38.25864 67.13625 
1 1 1   16   33   31 o  324.558   47.189   3.1013   0.7366   2.6889   1.2442   3.3238   0.9140  298.805   79.571  350.312   50.749 -51.50720 94.37715 
1 1 1   16   33   33 o  191.502   40.648   1.0717   0.4558   1.3794   0.5726   0.5391   0.7533  220.932   51.380  162.072   63.000 58.85989 81.29520 
1 1 1   16   33   35 o  187.846   40.935   0.9821   0.4494   0.6448   0.6338   1.3231   0.6373  161.620   58.843  214.072   56.922 -52.45203 81.86974 
1 1 1   16   33   37 o  144.769   34.607   0.5432   0.3054   0.4573   0.4090   0.6514   0.4591  134.991   47.493  154.546   50.349 -19.55542 69.21399 
1 1 1   16   33   39 o  194.323   39.789   1.1081   0.4221   0.9930   0.6016   1.2197   0.5925  184.858   57.333  203.788   55.188 -18.92926 79.57874 
1 1 1   16   33   41 f  165.069   37.511   0.7613   0.3865   1.1108   0.5301   0.3647   0.5647  194.151   52.044  135.987   54.034 58.16377 75.02172 
1 1 1   16   34    0 o  311.343   81.746   3.0061   1.1306   3.0061   1.1306   0.0000   0.0000  311.343   81.746  311.343   81.746 -0.000000 0.000000 
1 1 1   16   34    2 o  273.201   66.228   2.0674   0.9206   0.0000   0.0000   2.0674   0.9206  ?   ?   273.201   66.228      ?      ? 
1 1 1   16   34    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   34    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   34    8 o  629.663   58.265   10.518   1.8862   0.0000   0.0000   10.518   1.8862  ?   ?   629.663   58.265      ?      ? 
1 1 1   16   34   10 o  858.724   31.382   19.327   1.3820   19.342   1.8896   19.310   2.0264  859.666   42.753  857.783   45.950 1.882690 62.76319 
1 1 1   16   34   12 o  503.169   36.187   6.7656   0.9243   5.8384   1.3479   7.5887   1.2699  468.936   55.906  537.401   45.962 -68.46509 72.37437 
1 1 1   16   34   14 o  927.991   33.964   22.624   1.6172   24.594   2.3679   20.903   2.2139  965.862   47.685  890.120   48.378 75.74231 67.92828 
1 1 1   16   34   16 o  691.206   43.247   11.308   1.3916   9.4936   1.6077   16.730   2.7786  597.895   52.301  784.517   68.891 -186.6215 86.49482 
1 1 1   16   34   18 o  318.567   36.700   2.7422   0.5856   2.4830   0.8286   3.0009   0.8277  300.472   55.685  336.662   47.820 -36.19055 73.40057 
1 1 1   16   34   20 o  727.554   33.231   14.074   1.2382   15.379   1.7443   12.750   1.7578  762.783   44.479  692.324   49.385 70.45953 66.46229 
1 1 1   16   34   22 o  346.830   55.437   3.2437   0.9466   2.4095   1.1786   4.7602   1.5891  287.837   77.790  405.823   79.004 -117.9862 110.8739 
1 1 1   16   34   24 o  418.210   33.329   4.6417   0.7146   4.2021   0.9768   5.1479   1.0481  396.762   47.887  439.659   46.369 -42.89670 66.65736 
1 1 1   16   34   26 o  960.557   32.777   24.472   1.6116   21.592   2.1902   27.873   2.3800  898.504   47.413  1022.61   45.269 -124.1069 65.55351 
1 1 1   16   34   28 o  411.812   35.256   4.5377   0.7395   3.7537   1.0060   5.4594   1.0907  372.319   52.555  451.305   47.008 -78.98642 70.51147 
1 1 1   16   34   30 o  606.825   40.890   9.7186   1.2317   11.775   2.0943   8.6314   1.5228  650.401   62.631  563.248   52.588 87.15289 81.78069 
1 1 1   16   34   32 o  173.247   38.087   0.8380   0.3878   1.0567   0.5096   0.5370   0.5979  193.467   50.640  153.027   56.903 40.44026 76.17356 
1 1 1   16   34   34 o  156.650   44.985   0.3857   0.5783   0.6481   0.7497   0.0000   0.9089  167.229   63.393  146.072   63.842 21.15738 89.96947 
1 1 1   16   34   36 o  511.764   35.148   7.3596   0.9041   8.5584   1.2389   5.9940   1.3222  561.681   42.902  461.848   55.686 99.83331 70.29559 
1 1 1   16   34   38 o  251.795   41.068   1.8710   0.5190   1.8120   0.7006   1.9427   0.7728  248.285   56.191  255.305   59.907 -7.020538 82.13631 
1 1 1   16   34   40 o  191.088   37.891   1.0746   0.3861   1.0128   0.5217   1.1494   0.5740  185.541   52.388  196.634   54.757 -11.09363 75.78197 
1 1 1   16   35    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   35    3 o  255.016   56.375   1.6344   0.8634   0.8176   1.1573   2.6594   1.2965  203.615   78.383  306.417   81.049 -102.8019 112.7510 
1 1 1   16   35    5 o  241.499   49.251   1.5530   0.6169   1.4306   0.7529   1.8031   1.0759  227.801   62.432  255.196   76.191 -27.39513 98.50288 
1 1 1   16   35    7 o  375.076   46.729   3.6659   0.7979   4.2670   1.5191   3.4369   0.9376  389.223   78.622  360.929   50.528 28.29422 93.45880 
1 1 1   16   35    9 o  624.089   42.078   10.491   1.1401   10.195   2.3301   10.584   1.3073  611.957   74.060  636.221   39.968 -24.26361 84.15623 
1 1 1   16   35   11 o  942.115   40.260   23.226   1.6865   24.522   3.4036   22.804   1.9416  950.978   69.614  933.252   40.466 17.72644 80.52080 
1 1 1   16   35   13 o  402.365   37.350   4.3809   0.7569   3.6029   1.1111   5.0546   1.0339  366.810   58.916  437.920   45.923 -71.11035 74.69936 
1 1 1   16   35   15 o  199.330   38.568   0.8003   0.4255   1.9904   0.7663   0.2699   0.5115  267.978   57.349  130.682   51.584 137.2966 77.13514 
1 1 1   16   35   17 o  363.794   44.443   3.5559   0.7600   3.8865   1.3478   3.4017   0.9203  369.941   73.456  357.647   50.049 12.29459 88.88548 
1 1 1   16   35   19 o  756.036   39.690   15.030   1.4826   16.666   2.5149   14.159   1.8354  782.790   62.489  729.282   48.952 53.50745 79.38030 
1 1 1   16   35   21 o  207.553   50.367   1.1413   0.6455   1.2417   0.8304   0.9879   1.0260  212.392   67.573  202.713   74.706 9.679108 100.7332 
1 1 1   16   35   23 o  128.374   35.372   0.2908   0.3295   0.3053   0.5311   0.2817   0.4202  133.938   52.659  122.811   47.242 11.12701 70.74461 
1 1 1   16   35   25 o  306.837   37.261   2.5763   0.5756   2.4914   0.8134   2.6614   0.8147  299.150   54.910  314.525   50.383 -15.37534 74.52223 
1 1 1   16   35   27 o  269.051   39.268   2.0059   0.5357   1.4450   0.7361   2.6375   0.7810  224.964   61.760  313.139   48.513 -88.17505 78.53577 
1 1 1   16   35   29 o  166.107   42.704   0.6284   0.4526   0.8520   0.7759   0.5131   0.5572  182.775   65.294  149.439   55.058 33.33517 85.40895 
1 1 1   16   35   31 o  143.342   37.741   0.4592   0.3846   0.6678   0.4637   0.0000   0.6882  157.300   50.546  129.384   56.059 27.91617 75.48170 
1 1 1   16   35   33 o  192.316   43.428   1.0396   0.5610   1.6313   0.7027   0.0000   0.9315  237.070   58.105  147.563   64.557 89.50697 86.85536 
1 1 1   16   35   35 o  629.807   34.425   11.012   1.1041   12.141   1.5244   9.7663   1.6014  667.568   44.415  592.047   52.609 75.52136 68.85053 
1 1 1   16   35   37 o  534.749   34.134   7.9579   0.9342   8.1547   1.2744   7.7293   1.3734  544.084   45.559  525.414   50.841 18.66968 68.26717 
1 1 1   16   35   39 o  350.147   40.162   3.7144   0.6712   4.7644   0.9238   2.5405   0.9768  415.339   43.262  284.954   67.678 130.3853 80.32356 
1 1 1   16   35   41 o  197.611   42.486   1.2435   0.4986   0.7170   0.7942   1.5860   0.6406  166.356   64.682  228.866   55.103 -62.50952 84.97118 
1 1 1   16   36    0 o  182.160   94.310   1.3108   1.1393   0.0000   0.0000   1.3108   1.1393  182.160   94.310  182.160   94.310 -0.000000 0.000000 
1 1 1   16   36    2 o  1460.25   45.019   56.984   3.0524   57.753   5.6964   56.674   3.6153  1453.83   76.211  1466.66   47.945 -12.83130 90.03829 
1 1 1   16   36    4 o  251.251   56.323   1.7135   0.8237   2.0775   1.1884   1.3769   1.1428  271.666   79.815  230.835   79.491 40.83025 112.6468 
1 1 1   16   36    6 o  500.280   49.160   6.5478   1.1743   6.1644   1.4033   7.4431   2.1447  481.034   56.743  519.526   80.293 -38.49173 98.32006 
1 1 1   16   36    8 o  652.741   40.422   11.504   1.3389   12.795   1.8312   10.020   1.9625  694.930   51.254  610.553   62.520 84.37738 80.84346 
1 1 1   16   36   10 o  403.127   38.463   4.1523   0.7652   3.7406   0.9395   4.9636   1.3189  376.076   48.593  430.177   59.636 -54.10031 76.92692 
1 1 1   16   36   12 o  653.542   44.898   10.365   1.2609   9.4834   1.4109   13.864   2.8106  599.356   45.787  707.727   77.244 -108.3716 89.79504 
1 1 1   16   36   14 f  886.928   48.405   21.974   1.7716   22.344   1.9997   20.625   3.8191  921.183   42.223  852.673   87.118 68.50970 96.81069 
1 1 1   16   36   16 o  487.480   51.135   6.4337   1.0977   6.2025   1.2750   7.0959   2.1577  482.016   51.451  492.943   88.384 -10.92746 102.2690 
1 1 1   16   36   18 o  539.043   41.108   7.4929   1.0940   9.2150   1.8901   6.6254   1.3415  580.932   63.284  497.155   52.483 83.77707 82.21523 
1 1 1   16   36   20 o  317.224   57.893   3.1154   0.9805   3.8410   1.2668   2.0316   1.5483  367.225   69.648  267.224   92.495 100.0007 115.7854 
1 1 1   16   36   22 o  288.469   45.028   2.5297   0.6529   1.5793   1.0666   3.0991   0.8256  236.340   76.728  340.598   47.145 -104.2587 90.05508 
1 1 1   16   36   24 o  376.583   48.461   4.8393   0.8727   1.5597   1.3853   6.9973   1.1237  240.093   87.058  513.073   42.600 -272.9805 96.92217 
1 1 1   16   36   26 o  634.302   40.457   11.119   1.2617   10.654   2.0826   11.388   1.5859  617.567   65.592  651.037   47.380 -33.46930 80.91432 
1 1 1   16   36   28 o  211.961   67.287   1.2764   0.8237   0.0000   0.0000   1.2764   0.8237  ?   ?   211.961   67.287      ?      ? 
1 1 1   16   36   30 o  413.398   44.983   4.5241   0.8748   7.7388   1.4355   2.6254   1.1033  531.101   52.573  295.695   73.008 235.4064 89.96686 
1 1 1   16   36   32 o  187.070   47.707   0.9317   0.6247   1.3130   0.7416   0.0000   1.1592  212.015   63.246  162.124   71.441 49.89124 95.41448 
1 1 1   16   36   34 o  253.746   41.824   1.7787   0.5370   2.6779   0.8650   1.2147   0.6850  304.008   57.446  203.484   60.804 100.5243 83.64894 
1 1 1   16   36   36 o  700.709   40.682   13.675   1.4323   16.037   2.3426   12.265   1.8099  742.670   61.353  658.749   53.441 83.92090 81.36415 
1 1 1   16   36   38 o  220.534   42.474   1.6115   0.5378   0.6988   0.9189   2.0870   0.6633  172.358   68.787  268.709   49.846 -96.35132 84.94823 
1 1 1   16   37    1 o  778.589   35.436   16.055   1.4182   15.732   2.0076   16.378   2.0037  770.495   50.681  786.682   49.541 -16.18695 70.87270 
1 1 1   16   37    3 o  902.924   35.430   21.514   1.6415   23.342   2.4040   19.918   2.2468  938.875   49.804  866.973   50.407 71.90210 70.86072 
1 1 1   16   37    5 o  415.329   33.905   4.5176   0.7132   3.5406   0.9631   5.7040   1.0613  365.232   51.292  465.425   44.354 -100.1924 67.81006 
1 1 1   16   37    7 o  375.771   36.486   3.7845   0.6654   2.6708   0.9031   5.1069   0.9842  311.083   58.619  440.459   43.461 -129.3761 72.97290 
1 1 1   16   37    9 o  669.595   30.314   11.836   1.0388   11.432   1.5278   12.183   1.4166  658.069   45.158  681.121   40.454 -23.05176 60.62834 
1 1 1   16   37   11 o  588.622   31.108   9.1960   0.9357   8.4184   1.3585   9.8977   1.2906  563.782   46.868  613.463   40.919 -49.68066 62.21696 
1 1 1   16   37   13 o  383.160   56.352   5.0908   0.9124   5.7808   1.0296   2.5653   1.9697  468.034   42.787  298.286  104.266 169.7483 112.7035 
1 1 1   16   37   15 o  707.739   44.395   12.387   1.3431   11.451   1.5026   16.106   2.9952  657.544   44.447  757.935   76.865 -100.3907 88.79066 
1 1 1   16   37   17 o  285.662   52.527   2.4193   0.7241   2.5328   0.8407   2.0932   1.4252  302.049   56.205  269.276   88.754 32.77307 105.0539 
1 1 1   16   37   19 o  756.138   54.225   16.172   2.0483   16.157   2.6165   16.196   3.2920  764.224   66.593  748.052   85.597 16.17206 108.4499 
1 1 1   16   37   21 o  235.509   51.358   1.5202   0.6009   1.5063   0.6742   1.5742   1.3255  230.976   57.097  240.042   85.385 -9.065994 102.7167 
1 1 1   16   37   23 o  429.992   43.557   4.1914   0.8540   3.2527   0.9711   7.3954   1.7940  345.928   54.600  514.057   67.880 -168.1289 87.11422 
1 1 1   16   37   25 o  481.588   56.695   6.6258   1.3567   5.7965   1.7395   7.9133   2.1676  442.525   79.374  520.652   80.977 -78.12656 113.3910 
1 1 1   16   37   27 o  407.433   76.790   4.9348   1.5495   4.9348   1.5495   0.0000   0.0000  407.433   76.790  ?   ?       ?      ? 
1 1 1   16   37   29 o  293.139   50.170   3.0100   0.7764   3.6731   0.8997   1.0756   1.5368  367.761   47.585  218.516   88.339 149.2454 100.3397 
1 1 1   16   37   31 o  206.511   44.706   1.3810   0.5488   1.7059   0.6100   0.0000   1.2576  245.439   50.038  167.584   74.100 77.85493 89.41210 
1 1 1   16   37   33 o  123.944   38.639   0.0000   0.4043   0.0000   0.4564   0.0000   0.8712  105.908   45.771  141.979   62.266 -36.07127 77.27849 
1 1 1   16   37   35 o  459.750   52.472   6.2400   1.0381   5.9615   1.1956   7.0933   2.0929  461.337   50.407  458.162   92.046 3.174774 104.9440 
1 1 1   16   37   37 o  199.830   46.610   1.2640   0.5126   1.3898   0.5560   0.5508   1.3238  217.774   50.620  181.885   78.279 35.88882 93.22073 
1 1 1   16   38    0 o  155.764   53.828   0.5019   0.5333   0.0000   0.6256   1.8367   1.0202   89.556   57.908  221.971   90.755 -0.000000 0.000000 
1 1 1   16   38    2 o  514.145   36.592   7.0797   0.9609   6.4229   1.3915   7.6785   1.3286  489.975   55.238  538.315   48.007 -48.33951 73.18376 
1 1 1   16   38    4 o  505.326   37.116   6.8610   0.9561   6.1402   1.3901   7.5080   1.3171  478.502   56.506  532.149   48.140 -53.64697 74.23177 
1 1 1   16   38    6 o  148.555   35.783   0.5468   0.3305   0.4286   0.4826   0.6511   0.4534  139.792   51.279  157.318   49.921 -17.52557 71.56615 
1 1 1   16   38    8 o  399.889   30.905   4.1919   0.6329   4.7313   0.9388   3.7427   0.8568  423.434   43.125  376.344   44.281 47.09064 61.81056 
1 1 1   16   38   10 o  481.172   30.911   6.1079   0.7631   6.3028   1.1219   5.9401   1.0411  487.995   44.716  474.349   42.691 13.64615 61.82230 
1 1 1   16   38   12 o  180.782   36.490   0.8995   0.3566   0.8314   0.5179   0.9608   0.4916  175.040   53.000  186.524   50.170 -11.48369 72.97986 
1 1 1   16   38   14 o  346.788   36.486   3.2026   0.6107   2.1544   0.8089   4.5914   0.9312  277.270   58.583  416.305   43.507 -139.0352 72.97104 
1 1 1   16   38   16 o  194.732   39.514   1.0494   0.4359   0.6327   0.6308   1.4300   0.6030  163.140   58.812  226.325   52.789 -63.18459 79.02849 
1 1 1   16   38   18 o  346.989   59.340   3.2743   1.0534   2.0706   1.3179   5.4032   1.7527  265.924   85.185  428.053   82.635 -162.1296 118.6807 
1 1 1   16   38   20 o  425.298   37.326   4.9528   0.8011   3.9668   1.1440   5.9016   1.1223  380.851   58.425  469.745   46.470 -88.89468 74.65172 
1 1 1   16   38   22 o  573.346   34.939   8.8672   1.0288   8.4722   1.4614   9.2553   1.4486  559.940   50.764  586.753   48.020 -26.81268 69.87791 
1 1 1   16   38   24 o  383.812   52.001   4.2826   0.9940   4.2396   1.5170   4.3150   1.3159  375.345   80.990  392.279   65.247 -16.93408 104.0022 
1 1 1   16   38   26 o  207.724   42.605   1.2524   0.5054   1.6449   0.6758   0.7544   0.7612  240.087   55.810  175.362   64.388 64.72475 85.20934 
1 1 1   16   38   28 o  308.134   39.876   2.7024   0.6084   2.7293   0.8625   2.6758   0.8584  309.773   56.227  306.495   56.559 3.278381 79.75250 
1 1 1   16   38   30 o  480.991   37.779   6.6004   0.9009   8.0375   1.2349   4.9658   1.3171  544.271   44.133  417.711   61.329 126.5598 75.55717 
1 1 1   16   38   32 o  300.356   44.537   2.5070   0.6751   3.7365   1.0853   1.7308   0.8623  362.164   58.286  238.548   67.356 123.6154 89.07349 
1 1 1   16   38   34 o  301.389   40.624   2.6553   0.6137   3.0830   0.8716   2.2350   0.8642  331.081   51.208  271.696   63.079 59.38489 81.24753 
1 1 1   16   38   36 f  236.793   41.417   1.7290   0.5157   2.2102   0.7142   1.2049   0.7454  274.841   52.461  198.745   64.105 76.09605 82.83483 
1 1 1   16   39    1 o  316.710   40.562   2.8014   0.6321   3.6393   0.8938   1.9631   0.8940  370.323   46.947  263.097   66.160 107.2267 81.12458 
1 1 1   16   39    3 o  673.805   45.414   12.089   1.4332   13.117   2.6764   11.676   1.6970  685.724   75.915  661.886   49.868 23.83850 90.82854 
1 1 1   16   39    5 o  438.464   37.636   5.0703   0.8357   6.4594   1.2626   3.9873   1.1148  492.159   49.899  384.769   56.356 107.3902 75.27193 
1 1 1   16   39    7 o  343.499   36.876   3.2459   0.6233   3.7863   0.8629   2.6565   0.9012  378.103   44.391  308.895   58.896 69.20868 73.75206 
1 1 1   16   39    9 o  526.226   31.049   7.3273   0.8383   7.4622   1.2296   7.2100   1.1459  530.322   45.098  522.130   42.689 8.192017 62.09800 
1 1 1   16   39   11 o  649.328   30.642   11.156   1.0207   11.406   1.5000   10.940   1.3930  655.560   44.505  643.095   42.130 12.46429 61.28306 
1 1 1   16   39   13 o  756.975   30.356   15.245   1.1765   14.374   1.7095   16.028   1.6216  735.101   45.233  778.850   40.497 -43.74902 60.71260 
1 1 1   16   39   15 o  371.953   34.293   3.6986   0.6519   3.6509   0.8738   3.7585   0.9791  370.017   45.931  373.890   50.936 -3.873230 68.58646 
1 1 1   16   39   17 o  324.148   62.882   3.2710   1.0759   3.5661   1.3560   2.7694   1.7678  347.946   77.760  300.351   98.844 47.59473 125.7642 
1 1 1   16   39   19 o  881.274   35.086   20.909   1.5891   21.226   2.2845   20.611   2.2119  887.378   50.074  875.169   49.160 12.20917 70.17189 
1 1 1   16   39   21 o  725.758   47.289   14.885   1.5820   14.479   2.9316   15.051   1.8791  704.508   80.938  747.009   48.928 -42.50098 94.57748 
1 1 1   16   39   23 o  239.003   50.046   1.6958   0.6650   1.3837   1.0291   1.9195   0.8714  221.479   75.456  256.528   65.764 -35.04918 100.0926 
1 1 1   16   39   25 o  376.547   36.466   3.8716   0.7036   3.4664   0.9754   4.3112   1.0159  355.217   53.410  397.877   49.662 -42.66058 72.93118 
1 1 1   16   39   27 o  477.633   35.999   6.2709   0.8829   6.6105   1.2482   5.9310   1.2489  491.478   49.398  463.789   52.378 27.68875 71.99762 
1 1 1   16   39   29 o  155.309   38.123   0.5958   0.3839   0.8874   0.5580   0.3338   0.5290  177.152   55.265  133.466   52.528 43.68587 76.24541 
1 1 1   16   39   31 o  229.633   45.285   1.5150   0.5520   2.0568   0.8798   1.1634   0.7088  260.397   65.717  198.870   62.324 61.52612 90.57093 
1 1 1   16   39   33 o  146.702   36.184   0.5564   0.3441   0.7464   0.4803   0.3562   0.4931  162.245   51.368  131.160   50.976 31.08522 72.36899 
1 1 1   16   39   35 o  218.589   40.503   1.4653   0.4741   1.8439   0.6539   1.0457   0.6884  250.224   52.506  186.954   61.686 63.27022 81.00646 
1 1 1   16   40    0 o  360.842   69.458   4.4513   1.1144   5.1831   1.4445   3.3754   1.7516  424.598   72.522  297.087  118.483 -0.000000 0.000000 
1 1 1   16   40    2 o  376.327   37.767   3.8030   0.7302   3.9167   1.0566   3.6990   1.0104  381.567   53.861  371.086   52.958 10.48071 75.53484 
1 1 1   16   40    4 o  503.664   37.081   6.8168   0.9579   6.7251   1.3971   6.8981   1.3160  499.656   54.386  507.672   50.420 -8.016022 74.16213 
1 1 1   16   40    6 o  303.991   36.933   2.5068   0.5627   2.2068   0.7730   2.8449   0.8205  281.680   55.354  326.303   48.910 -44.62299 73.86659 
1 1 1   16   40    8 o  492.768   33.974   6.4544   0.8557   5.5555   1.1716   7.4823   1.2529  455.377   50.041  530.158   45.966 -74.78119 67.94822 
1 1 1   16   40   10 o  140.827   34.752   0.4746   0.3191   0.2570   0.4817   0.6448   0.4260  126.437   50.011  155.218   48.266 -28.78079 69.50317 
1 1 1   16   40   12 o  234.051   37.214   1.5372   0.4377   1.3582   0.6275   1.7067   0.6107  219.765   55.522  248.338   49.567 -28.57260 74.42787 
1 1 1   16   40   14 o  300.197   37.774   2.4819   0.5665   2.5679   0.7685   2.3796   0.8384  309.467   48.300  290.928   58.090 18.53909 75.54718 
1 1 1   16   40   16 o  421.894   58.137   5.5507   1.0825   5.9359   1.2711   4.5337   2.0653  468.157   52.811  375.632  103.590 92.52490 116.2749 
1 1 1   16   40   18 o  188.765   39.799   1.0066   0.4312   0.6381   0.6593   1.2821   0.5700  164.068   59.972  213.463   52.337 -49.39528 79.59780 
1 1 1   16   40   20 o  392.382   57.977   4.7532   1.0893   4.0894   1.8708   5.0937   1.3398  356.297   98.723  428.467   60.821 -72.16974 115.9543 
1 1 1   16   40   22 o  847.677   39.262   18.967   1.6751   15.171   2.1380   25.001   2.6957  741.834   56.058  953.519   54.988 -211.6857 78.52483 
1 1 1   16   40   24 o  449.421   41.891   5.7854   0.8695   3.3417   1.1918   8.5667   1.2715  334.992   71.383  563.850   43.861 -228.8580 83.78143 
1 1 1   16   40   26 f  511.090   35.946   7.2189   0.9381   8.0841   1.3221   6.3416   1.3313  544.370   47.238  477.810   54.194 66.55991 71.89157 
1 1 1   16   40   28 f  413.560   36.565   4.7769   0.7693   5.5002   1.0864   4.0494   1.0896  447.726   47.198  379.394   55.861 68.33182 73.13091 
1 1 1   16   40   30 o  225.479   54.014   1.5269   0.7244   1.3867   0.9070   1.7737   1.2037  214.184   70.816  236.775   81.579 -22.59175 108.0281 
1 1 1   16   40   32 o  164.889   38.834   0.7329   0.3992   1.0580   0.5793   0.4390   0.5508  189.344   55.755  140.434   54.072 48.91029 77.66853 
1 1 1   16   40   34 o  531.123   36.864   8.1004   1.0025   8.2111   1.3667   7.9714   1.4750  537.852   49.423  524.395   54.709 13.45685 73.72740 
1 1 1   16   41    1 o  167.712   38.857   0.7315   0.3974   0.4804   0.5773   0.9576   0.5478  149.305   55.838  186.119   54.050 -36.81403 77.71339 
1 1 1   16   41    3 o  376.390   42.621   3.9428   0.7638   5.8961   1.1331   2.3158   1.0341  470.042   46.888  282.737   71.187 187.3044 85.24191 
1 1 1   16   41    5 o  720.818   37.257   14.158   1.3632   12.533   2.0085   15.547   1.8562  678.802   57.552  762.834   47.329 -84.03229 74.51375 
1 1 1   16   41    7 o  656.696   34.175   11.754   1.1296   13.788   1.5555   9.4853   1.6430  721.132   41.956  592.260   53.958 128.8719 68.35094 
1 1 1   16   41    9 o  194.711   34.938   1.0184   0.3671   1.5602   0.5462   0.5718   0.4958  238.078   46.288  151.344   52.345 86.73367 69.87553 
1 1 1   16   41   11 o  574.196   31.119   8.7714   0.9160   8.9231   1.3525   8.6428   1.2450  578.084   45.507  570.309   42.460 7.775330 62.23883 
1 1 1   16   41   13 o  379.400   44.713   4.2024   0.7761   4.5190   0.9499   3.5668   1.3458  411.341   44.917  347.459   77.328 63.88199 89.42678 
1 1 1   16   41   15 o  383.169   55.260   3.8130   0.9564   3.1409   1.1082   5.7751   1.8934  329.871   67.613  436.468   87.425 -106.5967 110.5197 
1 1 1   16   41   17 o  355.212   40.905   3.3994   0.7104   4.7789   1.1078   2.4359   0.9258  419.615   51.351  290.810   63.687 128.8047 81.81058 
1 1 1   16   41   19 o  663.930   51.789   12.388   1.6922   13.820   2.8873   11.639   2.0885  683.153   82.207  644.706   63.010 38.44684 103.5774 
1 1 1   16   41   21 o  562.711   37.267   8.7034   1.0754   8.1601   1.5369   9.2246   1.5052  543.922   54.960  581.501   50.347 -37.57886 74.53486 
1 1 1   16   41   23 o  546.818   36.959   8.2806   1.0250   6.7777   1.4424   9.8135   1.4568  493.014   56.906  600.622   47.176 -107.6078 73.91795 
1 1 1   16   41   25 o  226.387   39.831   1.4798   0.4679   1.1362   0.6467   1.8571   0.6777  198.161   59.049  254.613   53.472 -56.45224 79.66226 
1 1 1   16   41   27 o  218.085   40.785   1.3532   0.5102   2.2036   0.7394   0.5805   0.7048  276.741   53.904  159.428   61.220 117.3130 81.56971 
1 1 1   16   41   29 o  373.764   64.210   4.8873   1.2066   5.2518   1.5081   4.2386   2.0116  411.412   74.020  336.117  104.942 75.29492 128.4203 
1 1 1   16   41   31 o  452.495   38.327   5.9721   0.8676   6.9839   1.1854   4.8049   1.2732  501.075   46.013  403.915   61.309 97.15952 76.65491 
1 1 1   16   41   33 o  350.503   41.198   3.7143   0.7079   4.1871   0.9585   3.1468   1.0501  384.258   48.518  316.749   66.597 67.50931 82.39668 
1 1 1   16   42    0 o  480.127   70.361   7.4672   1.4151   8.7336   1.8269   5.5677   2.2375  561.619   65.613  398.635  124.489 -0.000000 0.000000 
1 1 1   16   42    2 o  524.688   37.562   7.4239   1.0116   8.0062   1.4732   6.9042   1.3916  544.335   52.641  505.040   53.595 39.29520 75.12328 
1 1 1   16   42    4 o  312.003   41.080   2.6816   0.6439   3.0702   0.9476   2.3483   0.8776  336.327   54.802  287.679   61.214 48.64801 82.16077 
1 1 1   16   42    6 f  348.386   39.560   3.2946   0.7074   3.4688   1.0381   3.1435   0.9665  356.732   56.599  340.039   55.285 16.69229 79.11968 
1 1 1   16   42    8 o  256.316   42.396   1.8866   0.5489   1.6669   0.8129   2.0707   0.7443  240.909   64.397  271.723   55.160 -30.81374 84.79105 
1 1 1   16   42   10 o  396.063   32.612   4.1615   0.6608   4.7286   0.9898   3.7054   0.8876  420.284   45.808  371.841   46.431 48.44257 65.22369 
1 1 1   16   42   12 o  343.546   41.141   2.9804   0.6802   2.1907   0.8300   4.5954   1.1870  277.336   59.961  409.755   56.348 -132.4196 82.28193 
1 1 1   16   42   14 o  409.856   50.648   4.4715   0.9174   5.7037   1.8532   4.0716   1.0558  433.144   86.249  386.568   53.123 46.57663 101.2964 
1 1 1   16   42   16 o  313.121   46.506   2.8236   0.7395   3.4080   1.0516   2.2520   1.0401  351.043   58.268  275.198   72.499 75.84515 93.01247 
1 1 1   16   42   18 o  532.475   39.606   7.9971   1.0203   8.4132   1.2723   7.2471   1.7082  559.247   44.249  505.703   65.700 53.54456 79.21139 
1 1 1   16   42   20 o  229.161   42.538   1.4546   0.5154   2.1026   0.8010   0.9967   0.6733  269.728   59.369  188.593   60.936 81.13428 85.07565 
1 1 1   16   42   22 o  334.823   42.609   3.2280   0.7004   4.4732   1.0227   2.1279   0.9612  403.931   49.245  265.715   69.550 138.2153 85.21893 
1 1 1   16   42   24 o  220.397   51.344   1.2729   0.5724   1.1318   0.6393   1.8428   1.2851  197.410   58.686  243.384   84.266 -45.97342 102.6877 
1 1 1   16   42   26 o  175.216   41.309   0.8272   0.4438   1.1468   0.6610   0.5648   0.5989  197.631   59.878  152.801   56.925 44.83008 82.61873 
1 1 1   16   42   28 o  348.893   59.866   3.8039   1.0205   3.2005   1.2500   5.0101   1.7673  315.078   77.664  382.708   91.128 -67.62991 119.7329 
1 1 1   16   42   30 o  190.053   41.760   1.0658   0.4701   0.6832   0.6693   1.4383   0.6603  161.821   60.201  218.285   57.890 -56.46437 83.51939 
1 1 1   16   42   32 o  374.270   42.266   4.2755   0.7698   4.6562   1.0174   3.7656   1.1773  404.262   48.949  344.278   68.917 59.98376 84.53170 
1 1 1   16   43    1 o  469.526   39.253   6.0625   0.9300   4.7772   1.3101   7.3680   1.3204  415.973   61.259  523.080   49.098 -107.1079 78.50644 
1 1 1   16   43    3 o  317.936   42.796   2.8059   0.6774   3.9477   1.0103   1.8736   0.9130  381.977   51.447  253.894   68.404 128.0832 85.59153 
1 1 1   16   43    5 f  469.330   38.622   6.0159   0.9289   5.7509   1.3473   6.2561   1.2825  458.172   57.195  480.489   51.918 -22.31705 77.24486 
1 1 1   16   43    7 o  326.250   35.638   2.8735   0.5969   2.6686   0.8278   3.0955   0.8616  313.866   51.296  338.634   49.488 -24.76794 71.27647 
1 1 1   16   43    9 o  755.901   42.252   15.768   1.6403   15.354   2.2588   16.229   2.3859  746.193   58.878  765.609   60.616 -19.41608 84.50375 
1 1 1   16   43   11 o  859.986   86.082   22.065   3.8060   22.065   3.8060   0.0000   0.0000  859.986   86.082  ?   ?       ?      ? 
1 1 1   16   43   13 f  664.253   56.173   13.327   1.7635   11.639   3.0090   14.211   2.1764  612.728   95.519  715.778   59.142 -103.0497 112.3465 
1 1 1   16   43   15 o  233.847   39.901   1.5741   0.4739   1.6692   0.6425   1.4605   0.7017  242.734   52.972  224.960   59.685 17.77370 79.80129 
1 1 1   16   43   17 o  428.882   36.867   5.1099   0.8014   5.6692   1.0937   4.4613   1.1778  457.333   46.515  400.431   57.210 56.90137 73.73348 
1 1 1   16   43   19 o  271.250   41.354   2.1429   0.5722   1.5965   0.8289   2.6405   0.7910  232.077   66.215  310.422   49.560 -78.34477 82.70815 
1 1 1   16   43   21 o  223.697   40.421   1.4963   0.4888   0.9028   0.7221   1.9984   0.6641  181.756   63.151  265.639   50.472 -83.88277 80.84266 
1 1 1   16   43   23 o  419.979   38.991   4.9580   0.8407   5.3342   1.2105   4.6076   1.1683  436.098   53.990  403.859   56.268 32.23886 77.98132 
1 1 1   16   43   25 o  599.530   37.742   10.225   1.1355   7.8349   1.5974   12.667   1.6144  521.439   59.586  677.622   46.339 -156.1832 75.48341 
1 1 1   16   43   27 o  302.557   60.242   3.2199   0.9950   3.6144   1.2585   2.5624   1.6248  337.112   74.588  268.002   94.621 69.10968 120.4847 
1 1 1   16   43   29 o  300.522   40.760   2.6955   0.6066   2.5803   0.8415   2.8202   0.8751  293.563   57.813  307.481   57.472 -13.91840 81.51919 
1 1 1   16   44    0 o  517.207   76.845   7.6958   1.9107   0.0000   0.0000   7.6958   1.9107  517.207   76.845  517.207   76.845 0.000000 0.000000 
1 1 1   16   44    2 o  554.142   50.683   8.6878   1.4377   9.7962   2.1444   7.7828   1.9377  586.397   71.130  521.887   72.219 64.51001 101.3656 
1 1 1   16   44    4 o  337.973   54.655   3.4204   0.9254   3.3765   1.3849   3.4558   1.2438  333.473   81.471  342.472   72.878 -8.999176 109.3098 
1 1 1   16   44    6 o  215.640   50.220   1.3309   0.6538   0.9834   1.0437   1.5553   0.8388  199.867   75.015  231.413   66.790 -31.54608 100.4397 
1 1 1   16   44    8 o  563.905   59.366   8.8230   1.7211   8.8230   1.7211   0.0000   0.0000  563.905   59.366  ?   ?       ?      ? 
1 1 1   16   44   10 o  213.923   66.748   1.3143   0.8140   1.3143   0.8140   0.0000   0.0000  213.923   66.748  ?   ?       ?      ? 
1 1 1   16   44   12 o  248.923   38.441   1.7736   0.4908   1.2727   0.7086   2.2353   0.6803  210.232   61.595  287.615   46.010 -77.38239 76.88170 
1 1 1   16   44   14 o  487.544   33.313   6.4486   0.8273   7.6171   1.1970   5.3798   1.1448  531.571   43.799  443.517   50.205 88.05356 66.62523 
1 1 1   16   44   16 o  223.338   41.385   1.4311   0.4690   1.5146   0.7739   1.3826   0.5895  226.874   63.724  219.801   52.823 7.073013 82.77076 
1 1 1   16   44   18 o  369.292   41.893   3.8385   0.7705   4.6536   1.1607   3.1962   1.0302  408.067   55.322  330.518   62.925 77.54901 83.78648 
1 1 1   16   44   20 o  252.426   41.729   1.8418   0.5410   2.5257   0.8055   1.2795   0.7303  296.560   54.849  208.292   62.904 88.26811 83.45853 
1 1 1   16   44   22 o  405.100   40.193   4.6919   0.8301   4.1441   1.1904   5.2104   1.1581  378.918   61.106  431.282   52.230 -52.36417 80.38599 
1 1 1   16   44   24 o  465.378   37.862   6.1380   0.9055   6.1380   1.2995   6.1379   1.2624  464.689   54.393  466.067   52.683 -1.378174 75.72424 
1 1 1   16   44   26 o  156.067   45.041   0.4379   0.5039   0.3684   0.5785   0.6562   1.0257  137.223   54.636  174.910   71.622 -37.68710 90.08217 
1 1 1   16   44   28 o  373.526   41.739   4.1663   0.7736   3.4975   1.0834   4.8619   1.1050  335.928   65.082  411.124   52.277 -75.19547 83.47756 
1 1 1   16   45    1 f  401.905   39.356   4.4803   0.8052   3.8463   1.1477   5.0948   1.1299  371.471   60.096  432.339   50.835 -60.86725 78.71281 
1 1 1   16   45    3 o  273.171   45.257   2.1746   0.6245   2.1322   0.8864   2.2164   0.8800  270.191   64.671  276.150   63.329 -5.959167 90.51434 
1 1 1   16   45    5 o  591.617   58.979   10.969   1.5191   11.716   1.8206   9.2557   2.7559  652.585   54.263  530.650  104.735 121.9350 117.9571 
1 1 1   16   45    7 o  169.757   46.283   0.6284   0.5364   0.6440   0.6362   0.5900   0.9975  162.181   58.970  177.333   71.352 -15.15221 92.56637 
1 1 1   16   45    9 o  374.241   43.222   4.0847   0.7838   3.3520   1.1897   4.6467   1.0420  335.629   71.152  412.853   49.091 -77.22406 86.44415 
1 1 1   16   45   11 o  200.434   38.946   1.1438   0.4116   1.2257   0.6202   1.0794   0.5503  206.355   56.708  194.514   53.399 11.84114 77.89285 
1 1 1   16   45   13 o  252.294   41.206   1.7669   0.5177   2.3486   0.8325   1.4000   0.6611  284.996   58.766  219.591   57.778 65.40446 82.41173 
1 1 1   16   45   15 o  368.255   38.645   3.7710   0.7146   3.8437   1.1400   3.7239   0.9172  368.052   60.244  368.457   48.418 -0.4052124 77.28917 
1 1 1   16   45   17 o  349.037   42.790   3.4958   0.7434   4.2509   1.0929   2.8458   1.0141  389.448   54.585  308.626   65.913 80.82227 85.58061 
1 1 1   16   45   19 o  253.805   41.232   1.9003   0.5265   1.9631   0.7262   1.8307   0.7643  259.424   56.080  248.186   60.459 11.23799 82.46361 
1 1 1   16   45   21 o  164.114   38.561   0.5875   0.3921   1.2721   0.6604   0.2148   0.4873  206.806   59.139  121.421   49.501 85.38487 77.12188 
1 1 1   16   45   23 o  453.862   39.259   5.9417   0.9050   5.0013   1.2827   6.8734   1.2769  413.629   60.320  494.095   50.265 -80.46637 78.51810 
1 1 1   16   45   25 o  225.319   52.741   1.3132   0.6829   0.7532   0.8100   2.6904   1.2702  170.715   65.610  279.924   82.593 -109.2085 105.4815 
1 1 1   16   45   27 o  135.840   36.688   0.4332   0.3551   0.4282   0.5362   0.4371   0.4739  137.275   53.209  134.404   50.526 2.870865 73.37663 
1 1 1   16   46    0 f  130.433   78.003   0.5572   0.9298   0.0000   0.0000   0.5572   0.9298  130.433   78.003  130.433   78.003 -0.000000 0.000000 
1 1 1   16   46    2 o  276.620   55.073   2.1862   0.7582   1.9244   0.8968   2.8421   1.4194  254.405   67.465  298.836   87.067 -44.43076 110.1464 
1 1 1   16   46    4 o  268.602   54.182   2.1564   0.7435   2.0832   0.8898   2.3260   1.3538  265.377   65.589  271.826   86.259 -6.448456 108.3635 
1 1 1   16   46    6 o  586.058   41.388   9.9035   1.1990   7.4228   1.7615   12.045   1.6367  507.536   67.507  664.581   47.903 -157.0447 82.77600 
1 1 1   16   46    8 o  568.424   35.768   9.0252   1.0243   10.469   1.4085   7.4045   1.4921  621.961   44.049  514.887   56.365 107.0743 71.53597 
1 1 1   16   46   10 o  249.149   44.008   1.8716   0.5672   1.4881   0.8619   2.1644   0.7533  223.640   68.507  274.658   55.259 -51.01782 88.01571 
1 1 1   16   46   12 o  165.004   39.138   0.7484   0.3994   0.4935   0.6400   0.9110   0.5111  151.114   58.255  178.893   52.284 -27.77943 78.27657 
1 1 1   16   46   14 o  223.560   41.390   1.4513   0.4686   1.5328   0.7782   1.4050   0.5870  226.467   64.001  220.654   52.502 5.813950 82.78086 
1 1 1   16   46   16 o  566.671   32.615   8.7717   0.9378   10.796   1.3795   7.0326   1.2787  629.805   42.603  503.536   49.395 126.2689 65.22942 
1 1 1   16   46   18 o  168.905   36.786   0.7541   0.3930   1.2903   0.5537   0.2099   0.5579  210.762   51.533  127.048   52.508 83.71399 73.57108 
1 1 1   16   46   20 o  187.898   43.736   0.9922   0.4894   1.3361   0.7587   0.7470   0.6405  209.714   64.280  166.082   59.325 43.63187 87.47262 
1 1 1   16   46   22 o  337.534   42.391   3.3923   0.7148   3.2379   1.0523   3.5246   0.9740  324.678   65.305  350.391   54.067 -25.71286 84.78242 
1 1 1   16   46   24 o  178.091   49.434   0.6789   0.6138   0.3884   0.7288   1.3877   1.1383  146.498   60.224  209.684   78.409 -63.18600 98.86812 
1 1 1   16   47    1 o  313.487   71.862   3.4047   1.3238   3.3539   1.8710   3.4557   1.8733  311.226  101.651  315.748  101.604 -4.521790 143.7230 
1 1 1   16   47    3 o  465.408   54.384   6.3351   1.1538   7.1168   2.1431   6.0161   1.3692  468.475   92.263  462.340   57.600 6.134827 108.7671 
1 1 1   16   47    5 o  176.953   45.935   0.8122   0.5097   0.5289   1.0586   0.8977   0.5816  175.525   72.418  178.382   56.531 -2.857132 91.87047 
1 1 1   16   47    7 o  351.665   54.052   4.0519   0.9001   3.0894   1.6339   4.4712   1.0785  302.217   94.614  401.114   52.296 -98.89664 108.1045 
1 1 1   16   47    9 o  254.710   43.465   2.0019   0.5992   1.1523   0.9222   2.6226   0.7882  201.438   71.266  307.982   49.780 -106.5441 86.93058 
1 1 1   16   47   11 o  262.999   41.880   1.8673   0.5419   2.8645   0.9196   1.3367   0.6708  313.137   59.292  212.861   59.161 100.2758 83.75915 
1 1 1   16   47   13 o  205.632   37.082   1.1938   0.4120   1.7913   0.6109   0.6952   0.5580  250.656   49.158  160.608   55.530 90.04776 74.16311 
1 1 1   16   47   15 o  148.385   36.550   0.5269   0.3487   0.8504   0.5382   0.2929   0.4578  172.453   54.350  124.316   48.884 48.13692 73.09982 
1 1 1   16   47   17 o  667.648   32.577   12.360   1.1170   12.207   1.6101   12.502   1.5510  662.371   47.280  672.925   44.830 -10.55432 65.15484 
1 1 1   16   47   19 o  441.250   36.645   5.5088   0.8293   5.1239   1.1278   5.9618   1.2238  424.688   51.654  457.811   51.992 -33.12363 73.28926 
1 1 1   16   47   21 o  177.631   40.446   0.9093   0.4373   1.2615   0.6210   0.5628   0.6159  204.195   56.985  151.068   57.414 53.12738 80.89230 
1 1 1   16   47   23 o  383.285   69.218   5.8817   1.3822   6.3886   1.7227   4.9657   2.3156  436.425   79.713  330.144  113.184 106.2809 138.4365 
1 1 1   16   48    0 o  402.186   76.277   6.1683   1.3768   7.4709   1.7489   4.0450   2.2329  507.737   70.967  296.635  135.042 -0.000000 0.000000 
1 1 1   16   48    2 o  188.957   42.379   1.0266   0.4600   1.0673   0.6917   0.9944   0.6160  192.059   61.730  185.856   58.079 6.203003 84.75733 
1 1 1   16   48    4 o  305.433   44.461   2.7817   0.6845   2.2419   0.9936   3.2694   0.9444  269.615   70.778  341.251   53.828 -71.63626 88.92149 
1 1 1   16   48    6 f  446.432   41.952   5.7803   0.9453   4.9853   1.3959   6.4539   1.2849  412.397   65.836  480.466   52.014 -68.06912 83.90363 
1 1 1   16   48    8 o  397.822   44.031   4.7346   0.8491   3.7922   1.2613   5.5154   1.1481  350.674   72.362  444.971   50.187 -94.29633 88.06270 
1 1 1   16   48   10 o  128.852   34.198   0.2894   0.3237   0.0000   0.4339   0.6527   0.4860  103.105   44.593  154.599   51.860 -51.49313 68.39524 
1 1 1   16   48   12 o  162.557   35.553   0.7128   0.3732   0.1349   0.5560   1.1866   0.5035  122.439   51.636  202.675   48.884 -80.23583 71.10500 
1 1 1   16   48   14 o  221.725   39.248   1.4606   0.4504   1.7238   0.6396   1.2017   0.6344  242.807   52.742  200.643   58.136 42.16354 78.49548 
1 1 1   16   48   16 o  282.452   38.992   2.3272   0.5556   3.6711   0.8282   1.2276   0.7492  364.036   44.253  200.867   64.212 163.1689 77.98425 
1 1 1   16   48   18 o  213.070   36.435   1.3398   0.4411   0.5812   0.6283   2.0773   0.6195  152.887   58.015  273.252   44.095 -120.3652 72.87045 
1 1 1   16   48   20 o  422.081   36.722   5.1246   0.7954   4.8445   1.0853   5.4496   1.1691  410.069   51.477  434.092   52.386 -24.02277 73.44489 
1 1 1   16   49    1 o  749.276   39.627   16.000   1.5195   17.911   2.1790   14.191   2.1200  796.458   53.215  702.095   58.732 94.36237 79.25455 
1 1 1   16   49    3 o  752.230   39.816   16.151   1.5387   16.990   2.2012   15.349   2.1518  772.501   55.422  731.960   57.180 40.54108 79.63120 
1 1 1   16   49    5 o  697.379   39.492   13.957   1.4056   12.867   2.0496   14.925   1.9313  666.409   59.821  728.348   51.575 -61.93872 78.98485 
1 1 1   16   49    7 f  177.715   41.283   0.9185   0.4524   0.5646   0.7135   1.1563   0.5850  157.465   61.284  197.965   55.330 -40.49992 82.56594 
1 1 1   16   49    9 o  261.142   46.370   2.1260   0.6213   1.9133   0.9483   2.2859   0.8224  245.909   71.028  276.376   59.631 -30.46706 92.74049 
1 1 1   16   49   11 o  255.604   40.894   1.9668   0.5553   2.7948   0.7873   1.1468   0.7835  315.611   48.518  195.596   65.842 120.0154 81.78703 
1 1 1   16   49   13 o  325.695   39.366   3.0881   0.6379   3.7144   0.9316   2.5351   0.8753  362.142   50.034  289.247   60.788 72.89468 78.73132 
1 1 1   16   49   15 o  570.333   33.537   9.1699   0.9822   9.1380   1.4209   9.1991   1.3593  568.072   48.650  572.595   46.173 -4.523621 67.07303 
1 1 1   16   49   17 o  420.780   35.404   5.0571   0.7635   5.2673   1.1331   4.8823   1.0333  427.461   51.557  414.100   48.535 13.36090 70.80766 
1 1 1   16   50    0 o  740.151   64.185   16.967   2.2320   15.136   3.4575   18.276   2.9226  684.884  105.680  795.418   72.873 0.000000 0.000000 
1 1 1   16   50    2 o  610.630   40.739   10.816   1.2786   11.186   1.8249   10.459   1.7918  621.482   57.115  599.779   58.108 21.70313 81.47841 
1 1 1   16   50    4 o  549.987   40.124   8.7564   1.1326   8.7890   1.6494   8.7273   1.5580  549.102   58.424  550.872   55.011 -1.770203 80.24717 
1 1 1   16   50    6 o  270.878   44.113   2.2740   0.6344   1.4293   0.9100   3.0728   0.8848  213.599   70.945  328.158   52.446 -114.5597 88.22572 
1 1 1   16   50    8 o  583.789   40.777   9.9335   1.2197   10.256   1.8101   9.6654   1.6507  589.952   59.678  577.625   55.584 12.32629 81.55385 
1 1 1   16   50   10 o  441.975   37.185   5.6740   0.8315   6.2702   1.1308   4.9723   1.2268  472.595   46.539  411.355   58.010 61.23975 74.37088 
1 1 1   16   50   12 o  211.896   40.378   1.3880   0.4750   1.8775   0.6547   0.8440   0.6902  251.926   52.260  171.866   61.565 80.05954 80.75523 
1 1 1   16   51    1 o  382.586   45.962   4.5523   0.8610   3.6410   1.2509   5.3729   1.1870  333.988   74.718  431.184   53.545 -97.19556 91.92327 
1 1 1   16   51    3 o  234.397   38.753   1.5933   0.5431   2.9030   0.7865   0.3997   0.7508  320.489   47.732  148.305   61.064 172.1840 77.50603 
1 1 1   16   51    5 o  465.480   45.246   6.7047   1.0152   5.0743   1.4603   8.2296   1.4123  395.536   74.543  535.425   51.303 -139.8889 90.49166 
1 1 1   16   51    7 o  473.134   41.671   6.6051   1.0093   7.3486   1.5135   6.0098   1.3543  496.511   59.291  449.757   58.571 46.75418 83.34220 
1 1 1   17    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0    5 o  613.505   64.340   10.041   1.9783   10.041   1.9783   0.0000   0.0000  613.505   64.340  613.505   64.340 -0.000000 0.000000 
1 1 1   17    0    7 o  373.392   54.325   4.0584   0.8982   4.1889   1.1677   3.8692   1.4058  388.198   63.648  358.588   88.055 -0.000000 0.000000 
1 1 1   17    0    9 o  1289.46   42.994   43.295   2.7876   42.643   4.3404   43.752   3.6368  1279.83   66.371  1299.09   54.671 0.000000 0.000000 
1 1 1   17    0   11 o  625.579   42.854   10.368   1.3390   10.440   2.0160   10.311   1.7912  626.422   64.139  624.735   56.850 0.000000 0.000000 
1 1 1   17    0   13 o  836.515   40.731   18.258   1.7305   19.097   2.5260   17.516   2.3755  854.724   58.099  818.307   57.101 0.000000 0.000000 
1 1 1   17    0   15 o  212.544   48.094   1.5323   0.5164   0.8638   0.7359   2.1809   0.7249  150.930   76.326  274.159   58.538 0.000000 0.000000 
1 1 1   17    0   17 o  174.105   47.454   1.0729   0.4384   0.6812   0.6235   1.4559   0.6166  134.546   69.737  213.665   64.376 -0.000000 0.000000 
1 1 1   17    0   19 o  1253.76   39.368   40.759   2.5251   39.105   3.5392   42.473   3.6037  1227.58   56.348  1279.95   54.993 0.000000 0.000000 
1 1 1   17    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   23 o  306.785   52.269   2.8142   0.7147   2.8370   1.0017   2.7906   1.0199  309.056   72.559  304.514   75.256 0.000000 0.000000 
1 1 1   17    0   25 o  184.689   54.478   1.2422   0.5215   1.3754   0.7372   1.1087   0.7378  197.421   76.423  171.958   77.658 0.000000 0.000000 
1 1 1   17    0   27 o  489.894   46.434   6.5728   1.0757   7.9680   1.5426   5.2519   1.5009  546.963   56.215  432.825   73.921 -0.000000 0.000000 
1 1 1   17    0   29 o  626.495   42.658   10.436   1.3445   10.213   1.8870   10.666   1.9163  619.422   60.583  633.568   60.071 0.000000 0.000000 
1 1 1   17    0   31 o  224.502   51.471   1.7016   0.5896   2.5072   0.8458   0.9403   0.8223  292.254   64.333  156.751   80.364 -0.000000 0.000000 
1 1 1   17    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   35 o  905.599   41.969   21.635   1.9346   21.477   2.7159   21.799   2.7565  902.276   59.130  908.922   59.575 0.000000 0.000000 
1 1 1   17    0   37 o  418.061   46.951   4.8969   0.9324   4.7281   1.2976   5.0772   1.3407  409.864   66.939  426.259   65.854 0.000000 0.000000 
1 1 1   17    0   39 o  573.753   45.355   9.0248   1.2761   10.224   1.7921   7.7911   1.8174  617.046   57.648  530.460   70.036 0.000000 0.000000 
1 1 1   17    0   41 o  695.414   60.756   13.026   2.1341   13.026   2.1341   0.0000   0.0000  695.414   60.756  695.414   60.756 0.000000 0.000000 
1 1 1   17    0   43 o  1069.78   60.108   30.560   3.2820   30.560   3.2820   0.0000   0.0000  1069.78   60.108  1069.78   60.108 0.000000 0.000000 
1 1 1   17    0   45 o  120.976   66.501   0.5525   0.5971   0.5525   0.5971   0.0000   0.0000  120.976   66.501  120.976   66.501 0.000000 0.000000 
1 1 1   17    0   47 o  506.950   66.839   7.2293   1.6579   7.2293   1.6579   0.0000   0.0000  506.950   66.839  506.950   66.839 0.000000 0.000000 
1 1 1   17    0   49 o  197.983   83.032   1.5110   0.8488   1.5110   0.8488   0.0000   0.0000  197.983   83.032  197.983   83.032 0.000000 0.000000 
1 1 1   17    0   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   53 o  253.796   91.170   2.4028   1.0884   2.4028   1.0884   0.0000   0.0000  253.796   91.170  253.796   91.170 0.000000 0.000000 
1 1 1   17    0   55 f   95.565   54.726   0.3371   0.4255   0.3371   0.4255   0.0000   0.0000   95.565   54.726   95.565   54.726 0.000000 0.000000 
1 1 1   17    1    0 o  666.399   72.437   11.897   2.4074   11.897   2.4074   0.0000   0.0000  666.399   72.437  666.399   72.437 0.000000 0.000000 
1 1 1   17    1    2 o  1643.88   68.005   70.385   5.7475   70.385   5.7475   0.0000   0.0000  1643.88   68.005  ?   ?       ?      ? 
1 1 1   17    1    4 o  888.636   47.446   20.480   2.1638   19.420   2.9543   21.706   3.1781  864.018   66.506  913.255   67.688 -49.23651 94.89297 
1 1 1   17    1    6 f  1440.75   46.101   53.748   3.3808   52.706   4.4575   55.159   5.1874  1425.34   60.827  1456.15   69.291 -30.80212 92.20200 
1 1 1   17    1    8 o  2258.63   35.051  130.932   3.9215  135.348   6.5304  128.442   4.9041  2286.60   55.550  2230.66   42.762 55.94067 70.10246 
1 1 1   17    1   10 o  2034.06   29.230  106.754   3.0561  108.303   4.2998  105.172   4.3446  2049.07   40.815  2019.05   41.853 30.01855 58.46034 
1 1 1   17    1   12 o  575.947   28.681   8.5506   0.8489   8.2190   1.1882   8.8964   1.2134  564.527   40.939  587.367   40.180 -22.83917 57.36245 
1 1 1   17    1   14 o  1430.22   28.023   52.742   2.0601   52.993   2.8871   52.481   2.9404  1433.73   39.168  1426.70   40.087 7.029785 56.04556 
1 1 1   17    1   16 o  1327.19   27.728   45.406   1.8919   45.074   2.6590   45.747   2.6923  1322.28   39.114  1332.10   39.312 -9.816162 55.45559 
1 1 1   17    1   18 o  1988.49   27.613  101.943   2.8230  101.240   3.9806  102.656   4.0041  1981.59   39.072  1995.40   39.030 -13.81299 55.22677 
1 1 1   17    1   20 o  759.010   34.071   14.862   1.2579   14.941   2.1651   14.822   1.5455  759.935   55.415  758.086   39.654 1.848145 68.14110 
1 1 1   17    1   22 o  1616.59   56.280   67.669   4.6776   67.669   4.6776   0.0000   0.0000  1616.59   56.280  ?   ?       ?      ? 
1 1 1   17    1   24 o  799.078   28.340   16.487   1.1636   15.796   1.6440   17.181   1.6471  782.228   40.878  815.928   39.264 -33.70020 56.68049 
1 1 1   17    1   26 o  307.958   32.879   2.5305   0.4934   1.8541   0.6945   3.2196   0.7010  262.805   53.226  353.110   38.614 -90.30463 65.75702 
1 1 1   17    1   28 o  921.693   28.590   21.965   1.3546   21.625   1.9154   22.305   1.9161  914.525   40.738  928.862   40.124 -14.33673 57.17916 
1 1 1   17    1   30 o  721.842   28.973   13.507   1.0734   14.494   1.5236   12.535   1.5124  748.209   39.607  695.476   42.298 52.73230 57.94635 
1 1 1   17    1   32 o  519.639   36.973   7.2792   0.9230   6.3609   1.5625   7.7712   1.1439  492.055   61.766  547.223   40.657 -55.16840 73.94608 
1 1 1   17    1   34 o  364.732   37.644   3.3767   0.6680   3.8339   1.1791   3.1606   0.8107  381.341   60.139  348.122   45.293 33.21875 75.28737 
1 1 1   17    1   36 o  448.425   29.978   5.2493   0.6906   4.9836   0.9696   5.5229   0.9840  436.780   43.177  460.070   41.599 -23.28979 59.95579 
1 1 1   17    1   38 o  436.268   30.095   4.9881   0.6748   5.0389   0.9453   4.9353   0.9635  438.658   41.918  433.879   43.193 4.778931 60.18919 
1 1 1   17    1   40 o  668.279   35.940   11.673   1.1783   11.244   1.4517   12.502   2.0172  653.548   43.205  683.010   57.446 -29.46228 71.88004 
1 1 1   17    1   42 o  359.638   36.210   3.2906   0.6466   2.8537   0.7981   4.1250   1.1029  327.596   47.385  391.679   54.767 -64.08267 72.42092 
1 1 1   17    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1   46 o  278.581   46.823   2.2548   0.6700   2.8160   0.9505   1.7008   0.9444  315.177   60.865  241.986   71.169 73.19138 93.64595 
1 1 1   17    1   48 o  237.435   42.989   1.5832   0.5864   2.6514   0.8455   0.5929   0.8140  306.455   55.713  168.414   65.484 138.0410 85.97720 
1 1 1   17    1   50 o  238.135   48.054   1.6769   0.6311   1.2309   0.8723   2.1668   0.9141  206.812   69.473  269.459   66.411 -62.64670 96.10871 
1 1 1   17    1   52 o  239.921   43.162   1.7404   0.5170   1.8034   0.6334   1.6147   0.8949  250.583   50.900  229.260   69.720 21.32281 86.32315 
1 1 1   17    1   54 o  243.339   48.714   1.8816   0.6383   1.7460   0.9025   2.0173   0.9030  234.111   69.752  252.567   68.020 -18.45622 97.42741 
1 1 1   17    2    1 o  182.130   39.315   0.8952   0.4045   0.5080   0.7187   1.0747   0.4894  164.413   62.131  199.847   48.192 -35.43393 78.63025 
1 1 1   17    2    3 o  1777.48   46.670   82.358   4.2563   78.218   6.1052   86.274   5.9370  1733.11   68.518  1821.86   63.385 -88.74866 93.34015 
1 1 1   17    2    5 o  1920.09   32.578   95.416   3.2103   92.708   4.6385   97.905   4.4477  1893.54   47.647  1946.63   44.441 -53.09216 65.15545 
1 1 1   17    2    7 o  1017.46   40.102   26.040   1.9336   24.894   2.2989   28.809   3.5746  981.680   45.550  1053.24   66.014 -71.55774 80.20374 
1 1 1   17    2    9 o  781.865   35.406   15.919   1.3616   15.380   2.2654   16.224   1.7037  770.787   57.167  792.942   41.790 -22.15540 70.81297 
1 1 1   17    2   11 o  2221.59   28.818  127.219   3.2903  124.737   4.5790  129.869   4.7312  2199.24   40.497  2243.93   41.010 -44.69507 57.63559 
1 1 1   17    2   13 o  1171.97   28.277   35.374   1.7028   33.826   2.3656   37.039   2.4530  1145.38   40.172  1198.57   39.807 -53.19702 56.55410 
1 1 1   17    2   15 o  412.512   28.926   4.4438   0.6040   5.2503   0.8453   3.6023   0.8634  451.376   36.425  373.648   44.945 77.72733 57.85217 
1 1 1   17    2   17 o  1546.37   27.702   61.636   2.2021   60.658   3.0868   62.649   3.1425  1533.89   39.142  1558.85   39.210 -24.95959 55.40306 
1 1 1   17    2   19 o  1915.21   33.740   94.535   3.1499   95.326   5.4021   94.127   3.8773  1919.89   54.729  1910.54   39.473 9.350830 67.47920 
1 1 1   17    2   21 o  726.567   33.799   13.251   1.1995   12.465   1.4623   14.866   2.0971  695.077   40.919  758.057   53.807 -62.97943 67.59826 
1 1 1   17    2   23 o  2475.30   34.560  158.978   4.1308  156.802   7.1791  160.056   5.0507  2460.08   56.761  2490.52   39.445 -30.43701 69.12096 
1 1 1   17    2   25 o  886.424   28.284   20.289   1.2890   20.096   1.8241   20.481   1.8217  882.203   40.216  890.646   39.783 -8.444031 56.56870 
1 1 1   17    2   27 o  2056.19   28.342  109.248   2.9956  111.677   4.2395  106.825   4.2334  2079.13   39.661  2033.25   40.498 45.88318 56.68390 
1 1 1   17    2   29 o  1481.43   28.539   56.788   2.1736   56.129   3.0699   57.451   3.0779  1472.76   40.544  1490.09   40.177 -17.33630 57.07898 
1 1 1   17    2   31 o  207.237   38.170   1.1649   0.4004   1.1122   0.6693   1.1942   0.4997  204.238   59.870  210.236   47.364 -5.998886 76.33991 
1 1 1   17    2   33 o  197.650   49.111   1.0595   0.4968   1.0595   0.4968   0.0000   0.0000  197.650   49.111  ?   ?       ?      ? 
1 1 1   17    2   35 o  1036.37   29.204   27.981   1.5560   27.698   2.1943   28.267   2.2069  1031.07   41.394  1041.68   41.208 -10.60791 58.40857 
1 1 1   17    2   37 o  659.226   36.289   11.476   1.1600   11.518   1.4246   11.392   1.9983  663.804   41.744  654.647   59.371 9.156921 72.57764 
1 1 1   17    2   39 o  311.114   39.378   2.4400   0.5708   2.1642   0.6765   3.1223   1.0639  286.617   45.907  335.611   63.993 -48.99438 78.75612 
1 1 1   17    2   41 o  142.086   37.408   0.4023   0.3204   0.3718   0.3648   0.5053   0.6704  126.457   44.813  157.715   59.910 -31.25730 74.81593 
1 1 1   17    2   43 o  498.256   62.025   6.7883   1.5889   6.7883   1.5889   0.0000   0.0000  498.256   62.025  ?   ?       ?      ? 
1 1 1   17    2   45 o  341.320   67.241   3.3359   1.1380   0.0000   0.0000   3.3359   1.1380  ?   ?   341.320   67.241      ?      ? 
1 1 1   17    2   47 o  259.339   39.831   1.8627   0.4899   1.7803   0.5952   2.0359   0.8629  253.524   47.403  265.155   64.023 -11.63100 79.66171 
1 1 1   17    2   49 o  305.252   41.572   2.6195   0.6111   2.5577   0.7580   2.7342   1.0330  306.527   48.099  303.977   67.819 2.549988 83.14338 
1 1 1   17    2   51 f  419.683   44.545   5.3302   0.8505   5.7967   1.0492   4.4363   1.4524  461.283   44.241  378.083   77.328 83.19907 89.08913 
1 1 1   17    2   53 o  330.200   45.436   3.0162   0.7713   3.0162   0.7713   0.0000   0.0000  330.200   45.436  ?   ?       ?      ? 
1 1 1   17    2   55 o  108.813   29.996   0.2305   0.2466   0.3475   0.3029   0.0000   0.4250  116.627   40.878  100.999   43.909 15.62791 59.99118 
1 1 1   17    3    0 o  1576.06   48.842   64.249   3.9490   64.249   3.9490   0.0000   0.0000  1576.06   48.842  1576.06   48.842 0.000000 0.000000 
1 1 1   17    3    2 o  1126.81   47.853   33.035   2.7638   36.605   3.9704   29.679   3.8497  1186.37   65.094  1067.25   70.160 119.1136 95.70625 
1 1 1   17    3    4 o  1462.48   41.479   57.271   2.8696   50.691   5.0248   60.456   3.4957  1395.36   70.043  1529.61   44.451 -134.2563 82.95706 
1 1 1   17    3    6 o  760.714   31.867   14.984   1.2420   14.444   1.8142   15.462   1.7038  747.585   47.201  773.844   42.826 -26.25928 63.73333 
1 1 1   17    3    8 o  487.205   41.209   6.2023   0.9299   6.2759   1.1021   6.0201   1.7327  493.077   43.475  481.332   70.019 11.74506 82.41764 
1 1 1   17    3   10 o  573.448   42.727   8.3972   1.2470   7.7319   1.6292   9.3382   1.9375  546.574   57.979  600.322   62.776 -53.74829 85.45367 
1 1 1   17    3   12 o  1304.33   28.444   43.829   1.9056   43.000   2.6285   44.746   2.7667  1291.41   39.589  1317.24   40.853 -25.83118 56.88820 
1 1 1   17    3   14 o  977.794   28.101   24.594   1.4073   21.728   1.9433   27.754   2.0407  917.924   41.177  1037.66   38.252 -119.7387 56.20287 
1 1 1   17    3   16 o  1010.51   27.934   26.348   1.4496   26.874   2.0145   25.784   2.0875  1021.05   38.374  999.973   40.604 21.08044 55.86830 
1 1 1   17    3   18 o  2294.16   34.093  137.034   3.8084  132.357   6.4743  139.509   4.7093  2262.25   55.665  2326.07   39.379 -63.82397 68.18545 
1 1 1   17    3   20 o  1376.45   34.021   48.489   2.2686   47.611   2.7655   50.295   3.9667  1358.67   39.591  1394.24   55.339 -35.57349 68.04234 
1 1 1   17    3   22 o  1733.59   33.831   76.851   2.8573   75.170   3.5005   80.209   4.9463  1706.87   39.889  1760.31   54.654 -53.44104 67.66283 
1 1 1   17    3   24 o  920.811   35.694   22.512   1.5696   20.333   2.7185   23.602   1.9225  885.312   59.727  956.310   39.101 -70.99811 71.38734 
1 1 1   17    3   26 o  1254.30   28.355   40.640   1.8285   40.812   2.5829   40.467   2.5889  1256.98   39.968  1251.62   40.232 5.359863 56.71028 
1 1 1   17    3   28 o  1049.86   28.663   28.520   1.5438   26.203   2.1698   30.895   2.1970  1006.43   41.934  1093.28   39.086 -86.85211 57.32536 
1 1 1   17    3   30 o  1170.30   28.783   35.480   1.7318   35.262   2.4525   35.697   2.4458  1166.68   40.887  1173.92   40.524 -7.243530 57.56651 
1 1 1   17    3   32 o  836.421   41.091   18.339   1.7667   18.293   2.4739   18.387   2.5239  835.494   57.592  837.347   58.627 -1.853638 82.18243 
1 1 1   17    3   34 o  227.092   45.302   1.3943   0.5612   1.7354   0.7961   1.0574   0.7912  251.522   61.968  202.662   66.100 48.86070 90.60470 
1 1 1   17    3   36 o  631.960   35.431   9.9853   1.1024   8.8567   1.3468   12.276   1.9189  581.802   45.027  682.118   54.717 -100.3167 70.86207 
1 1 1   17    3   38 o  528.534   41.135   8.0500   0.9955   9.1363   1.2206   5.8926   1.7202  591.051   40.168  466.018   71.797 125.0335 82.26942 
1 1 1   17    3   40 o  1101.22   35.711   31.245   1.9293   29.141   2.3626   35.455   3.3425  1051.72   43.693  1150.72   56.498 -99.00256 71.42241 
1 1 1   17    3   42 o  844.150   43.472   19.375   1.8848   18.243   2.6321   20.566   2.7004  818.011   62.584  870.288   60.352 -52.27686 86.94379 
1 1 1   17    3   44 o  500.290   45.027   6.8978   1.1579   6.9714   1.6255   6.8220   1.6497  503.460   62.799  497.120   64.545 6.340118 90.05456 
1 1 1   17    3   46 o  134.653   31.505   0.4833   0.2707   0.6646   0.3175   0.0000   0.5184  155.424   39.615  113.883   48.998 41.54102 63.00932 
1 1 1   17    3   48 o  409.164   37.231   4.3292   0.7577   3.6183   0.9374   5.6692   1.2870  364.633   50.003  453.695   55.174 -89.06223 74.46171 
1 1 1   17    3   50 o  393.098   48.873   4.5784   0.9468   5.8042   1.3597   3.4245   1.3192  454.082   58.242  332.115   78.501 121.9676 97.74696 
1 1 1   17    3   52 o  120.283   44.584   0.3285   0.3664   0.3285   0.3664   0.0000   0.0000  120.283   44.584  ?   ?       ?      ? 
1 1 1   17    3   54 o  357.031   52.971   4.1062   0.9415   3.8351   1.3181   4.3884   1.3451  342.851   76.699  371.211   73.081 -28.36044 105.9414 
1 1 1   17    4    1 o  1632.96   43.583   71.283   3.3776   63.705   5.8955   74.986   4.1209  1563.03   73.365  1702.90   47.068 -139.8676 87.16546 
1 1 1   17    4    3 o  2157.22   46.218  121.097   5.1093  119.023   7.4975  122.895   6.9815  2138.91   68.179  2175.53   62.418 -36.61572 92.43628 
1 1 1   17    4    5 o  1354.14   36.639   47.615   2.5141   48.498   3.3053   46.403   3.8725  1369.88   46.931  1338.40   56.278 31.48035 73.27817 
1 1 1   17    4    7 o  1380.16   31.003   49.243   2.1954   48.029   3.1855   50.342   3.0298  1363.71   45.434  1396.60   42.196 -32.88684 62.00625 
1 1 1   17    4    9 o  1625.92   29.807   68.204   2.4915   67.107   3.5112   69.316   3.5359  1612.73   42.347  1639.11   41.959 -26.38281 59.61382 
1 1 1   17    4   11 o  621.725   42.393   9.9001   1.3424   9.2829   1.7607   10.757   2.0745  599.025   57.169  644.424   62.613 -45.39905 84.78581 
1 1 1   17    4   13 o  1473.78   28.244   55.958   2.1366   55.273   2.9319   56.734   3.1202  1464.28   38.945  1483.28   40.916 -19.00464 56.48724 
1 1 1   17    4   15 o  701.774   28.137   12.719   1.0130   13.109   1.4009   12.291   1.4664  713.159   38.209  690.390   41.313 22.76862 56.27320 
1 1 1   17    4   17 o  1682.61   34.196   73.765   2.8110   70.941   4.7402   75.297   3.4911  1656.33   55.665  1708.89   39.735 -52.55933 68.39208 
1 1 1   17    4   19 o  1914.73   34.143   94.670   3.1547   94.622   3.8473   94.768   5.5111  1915.57   39.065  1913.90   56.008 1.677979 68.28612 
1 1 1   17    4   21 o  706.921   28.213   12.894   1.0251   13.200   1.4485   12.587   1.4510  715.355   39.385  698.487   40.407 16.86816 56.42564 
1 1 1   17    4   23 o  1876.00   34.656   92.134   3.1348   94.371   3.8455   87.701   5.4121  1912.40   39.112  1839.61   57.223 72.78979 69.31236 
1 1 1   17    4   25 o  1119.63   28.238   32.377   1.6249   31.385   2.2974   33.371   2.2985  1102.38   40.535  1136.88   39.325 -34.49182 56.47648 
1 1 1   17    4   27 o  424.164   30.094   4.6602   0.6497   3.8368   0.9027   5.5450   0.9357  385.040   45.599  463.288   39.286 -78.24738 60.18848 
1 1 1   17    4   29 o  388.580   29.928   3.9198   0.5964   4.1394   0.8323   3.6881   0.8551  399.915   40.483  377.246   44.089 22.66901 59.85514 
1 1 1   17    4   31 o  579.339   58.143   8.7832   1.7318   8.7832   1.7318   0.0000   0.0000  579.339   58.143  ?   ?       ?      ? 
1 1 1   17    4   33 o  863.108   35.137   19.039   1.4832   18.148   1.8158   20.825   2.5710  835.326   42.282  890.889   56.131 -55.56287 70.27374 
1 1 1   17    4   35 o  1202.17   41.997   38.266   2.5909   36.041   3.6904   40.429   3.6384  1166.44   61.538  1237.91   57.167 -71.47327 83.99458 
1 1 1   17    4   37 o  183.275   39.097   0.8219   0.3763   0.6751   0.4513   1.1570   0.6817  160.217   49.653  206.333   60.405 -46.11636 78.19301 
1 1 1   17    4   39 o  589.839   37.849   9.4177   1.0688   9.7485   1.3094   8.7570   1.8504  609.472   41.787  570.207   63.119 39.26575 75.69741 
1 1 1   17    4   41 o  556.248   38.759   8.5951   1.0244   9.2019   1.2615   7.4208   1.7551  591.025   41.517  521.471   65.463 69.55402 77.51802 
1 1 1   17    4   43 o  693.211   35.369   12.612   1.2606   12.612   1.2606   0.0000   0.0000  693.211   35.369  ?   ?       ?      ? 
1 1 1   17    4   45 o  201.241   39.256   1.0796   0.4087   0.8968   0.5112   1.4035   0.6804  179.981   52.195  222.500   58.650 -42.51862 78.51178 
1 1 1   17    4   47 o  368.636   46.196   4.7500   0.6858   5.5778   0.7952   2.3467   1.3549  460.193   33.608  277.080   86.063 183.1131 92.39196 
1 1 1   17    4   49 o  179.269   39.191   0.8208   0.3855   0.6142   0.4741   1.2245   0.6626  152.508   51.216  206.030   59.334 -53.52263 78.38125 
1 1 1   17    4   51 o  296.824   42.568   2.4274   0.6030   2.0469   0.7382   3.1904   1.0452  265.663   55.820  327.984   64.284 -62.32098 85.13663 
1 1 1   17    4   53 o  225.109   39.642   1.6428   0.5037   2.1808   0.6271   0.6642   0.8457  281.561   43.317  168.658   66.404 112.9034 79.28326 
1 1 1   17    4   55 o  205.030   37.701   1.3984   0.4637   1.8964   0.5628   0.3453   0.8184  261.276   41.897  148.783   62.690 112.4931 75.40127 
1 1 1   17    5    0 o  1966.07   48.796   99.853   4.9255   0.0000   0.0000   99.853   4.9255  1966.07   48.796  1966.07   48.796 -0.000000 0.000000 
1 1 1   17    5    2 o  1618.55   47.217   68.143   3.9213   67.430   5.7119   68.779   5.3929  1609.92   69.009  1627.18   64.463 -17.26416 94.43427 
1 1 1   17    5    4 o  1294.82   40.394   44.041   2.4542   41.934   4.4511   44.962   2.9418  1270.12   68.164  1319.53   43.363 -49.40857 80.78780 
1 1 1   17    5    6 o  1163.69   31.710   34.929   1.8905   35.440   2.8016   34.502   2.5617  1171.29   46.524  1156.08   43.099 15.20349 63.41961 
1 1 1   17    5    8 f  1132.68   36.196   32.660   2.0072   34.788   3.4548   31.576   2.4661  1159.23   57.967  1106.13   43.364 53.10413 72.39182 
1 1 1   17    5   10 o  454.961   29.525   5.3284   0.6880   4.7063   0.9509   6.0119   0.9966  427.088   43.304  482.833   40.147 -55.74521 59.05070 
1 1 1   17    5   12 o  1473.86   34.806   56.332   2.5338   55.228   4.1926   56.968   3.1803  1461.48   55.799  1486.24   41.621 -24.76062 69.61185 
1 1 1   17    5   14 o  841.528   28.363   18.285   1.2235   18.637   1.6762   17.884   1.7899  850.316   38.343  832.740   41.806 17.57599 56.72692 
1 1 1   17    5   16 o  751.311   34.955   14.947   1.2757   13.385   2.1325   15.818   1.5919  719.331   57.662  783.291   39.531 -63.95953 69.91086 
1 1 1   17    5   18 o  1244.96   33.749   39.637   2.0342   38.896   2.4780   41.168   3.5624  1228.20   39.242  1261.72   54.918 -33.51904 67.49740 
1 1 1   17    5   20 o  267.055   31.458   1.8995   0.4150   2.2125   0.5749   1.5589   0.5998  292.915   38.176  241.196   50.009 51.71916 62.91522 
1 1 1   17    5   22 o  1119.11   28.108   32.326   1.6167   33.054   2.2783   31.588   2.2946  1131.87   39.151  1106.36   40.341 25.50562 56.21576 
1 1 1   17    5   24 o  1447.49   39.906   54.309   2.9693   55.742   4.2211   52.906   4.1776  1466.48   55.986  1428.51   56.882 37.97351 79.81174 
1 1 1   17    5   26 o  399.028   29.598   4.1443   0.6000   4.8948   0.8510   3.4024   0.8461  435.395   38.015  362.660   45.376 72.73471 59.19556 
1 1 1   17    5   28 o  560.671   34.246   7.6966   0.9424   6.7388   1.1456   9.7026   1.6578  510.173   43.675  611.168   52.760 -100.9947 68.49191 
1 1 1   17    5   30 f  204.414   43.457   1.1081   0.4957   1.2272   0.6763   0.9698   0.7288  213.530   59.423  195.297   63.428 18.23303 86.91462 
1 1 1   17    5   32 o  1538.07   34.894   60.554   2.6182   58.180   3.2013   65.350   4.5500  1496.62   41.605  1579.53   56.030 -82.90723 69.78730 
1 1 1   17    5   34 o  1073.58   35.879   30.214   1.8623   30.261   2.2783   30.119   3.2326  1078.28   41.097  1068.88   58.824 9.400391 71.75824 
1 1 1   17    5   36 o  747.312   36.415   14.658   1.3171   14.575   1.6105   14.827   2.2888  747.055   41.930  747.568   59.550 -0.5133667 72.83086 
1 1 1   17    5   38 o  595.455   35.373   8.6644   1.0357   7.0744   1.2594   11.987   1.8205  518.254   47.265  672.657   52.640 -154.4034 70.74590 
1 1 1   17    5   40 o  802.770   34.472   16.839   1.2390   16.581   1.4320   17.609   2.4711  796.675   34.961  808.864   59.422 -12.18854 68.94334 
1 1 1   17    5   42 o  259.792   49.496   1.8552   0.6370   1.8552   0.6370   0.0000   0.0000  259.792   49.496  ?   ?       ?      ? 
1 1 1   17    5   44 f  297.079   41.666   3.2743   0.5676   4.1188   0.6584   0.8290   1.1203  396.585   32.289  197.572   76.821 199.0124 83.33117 
1 1 1   17    5   46 o  307.590   41.496   3.6719   0.6043   4.8041   0.7062   0.5775   1.1676  427.835   32.108  187.345   76.529 240.4899 82.99179 
1 1 1   17    5   48 o  325.516   33.022   2.4250   0.4888   1.9882   0.5558   3.9176   1.0273  273.046   39.591  377.986   52.861 -104.9404 66.04350 
1 1 1   17    5   50 o  103.079   30.273   0.1193   0.2424   0.1607   0.2813   0.0000   0.4776   97.661   38.347  108.496   46.854 -10.83481 60.54602 
1 1 1   17    5   52 o  456.870   45.283   5.7425   1.0637   5.7425   1.0637   0.0000   0.0000  456.870   45.283  ?   ?       ?      ? 
1 1 1   17    5   54 o  159.600   40.798   0.6888   0.4298   0.6973   0.6040   0.6802   0.6117  160.079   57.565  159.120   57.828 0.9585266 81.59591 
1 1 1   17    6    1 o  903.990   42.984   21.490   1.8549   20.386   3.2589   22.020   2.2560  884.995   71.625  922.985   47.542 -37.99017 85.96731 
1 1 1   17    6    3 o  662.318   44.665   11.376   1.5004   11.429   2.3219   11.337   1.9661  663.151   68.102  661.486   57.811 1.665100 89.33088 
1 1 1   17    6    5 o  1067.15   32.283   29.546   1.7565   28.260   2.6262   30.588   2.3628  1045.67   48.851  1088.63   42.217 -42.95837 64.56507 
1 1 1   17    6    7 o  1153.32   31.272   34.301   1.8523   35.026   2.6940   33.651   2.5510  1164.79   44.985  1141.86   43.453 22.93298 62.54500 
1 1 1   17    6    9 o  1294.68   29.864   43.225   1.9874   42.046   2.7814   44.454   2.8407  1276.63   42.377  1312.72   42.090 -36.09033 59.72770 
1 1 1   17    6   11 o  1825.33   39.402   87.639   3.2179   89.243   3.7441   83.107   6.2948  1860.54   39.142  1790.12   68.395 70.41272 78.80344 
1 1 1   17    6   13 o  1419.90   35.522   53.393   2.4642   47.533   4.0622   56.804   3.0996  1355.55   58.288  1484.26   40.618 -128.7069 71.04453 
1 1 1   17    6   15 o  250.141   37.057   1.7151   0.4544   1.3915   0.7403   1.9107   0.5755  228.078   61.659  272.204   41.123 -44.12628 74.11461 
1 1 1   17    6   17 o  746.450   33.618   14.128   1.2192   13.626   1.4847   15.169   2.1361  726.930   39.727  765.970   54.243 -39.04022 67.23531 
1 1 1   17    6   19 o  750.235   28.240   14.513   1.0889   14.346   1.5167   14.690   1.5642  745.815   39.554  754.655   40.316 -8.839417 56.47953 
1 1 1   17    6   21 o  1289.95   28.224   42.933   1.8714   43.056   2.6204   42.806   2.6735  1291.88   39.452  1288.02   40.373 3.864380 56.44847 
1 1 1   17    6   23 o  1930.28   34.606   96.600   3.2290   97.066   3.9503   95.662   5.6055  1939.32   39.619  1921.24   56.750 18.08533 69.21140 
1 1 1   17    6   25 o  1623.22   40.280   68.501   3.3520   62.563   4.7367   74.459   4.7443  1551.96   59.364  1694.49   54.458 -142.5239 80.55945 
1 1 1   17    6   27 f  911.322   34.813   21.421   1.5388   21.213   1.8821   21.840   2.6724  905.895   40.411  916.748   56.699 -10.85284 69.62658 
1 1 1   17    6   29 o  1375.76   40.367   49.354   2.8549   50.260   4.0409   48.450   4.0340  1388.53   56.605  1362.98   57.567 25.55017 80.73497 
1 1 1   17    6   31 o  775.567   41.098   15.608   1.6388   15.608   1.6388   0.0000   0.0000  775.567   41.098  ?   ?       ?      ? 
1 1 1   17    6   33 o  469.024   37.981   5.8453   0.8444   5.9807   1.0213   5.5529   1.5010  479.553   41.422  458.495   63.675 21.05875 75.96270 
1 1 1   17    6   35 o  805.426   36.514   17.021   1.4254   16.972   1.7464   17.120   2.4670  806.607   42.112  804.246   59.664 2.361023 73.02899 
1 1 1   17    6   37 o  443.029   34.216   4.8167   0.6838   4.4720   0.7837   5.9159   1.3995  414.251   36.795  471.806   57.697 -57.55573 68.43133 
1 1 1   17    6   39 o  343.529   41.187   3.3288   0.5991   3.4458   0.6920   2.9787   1.1974  363.058   37.073  324.000   73.560 39.05807 82.37460 
1 1 1   17    6   41 o  454.702   61.464   5.6103   1.4369   5.6103   1.4369   0.0000   0.0000  454.702   61.464  ?   ?       ?      ? 
1 1 1   17    6   43 f  914.190   34.843   22.139   1.4225   21.900   1.6448   22.847   2.8338  913.509   35.021  914.871   60.247 -1.362366 69.68639 
1 1 1   17    6   45 o  451.073   38.775   5.6615   0.8415   5.9539   1.0424   5.1144   1.4259  472.984   42.868  429.162   64.624 43.82227 77.54954 
1 1 1   17    6   47 o  571.596   35.843   8.7220   0.9091   8.5694   1.0470   9.1897   1.8329  569.349   35.767  573.842   62.125 -4.493896 71.68533 
1 1 1   17    6   49 o  206.566   38.444   1.2010   0.3828   1.1871   0.4480   1.2385   0.7366  206.291   43.609  206.842   63.326 -0.5505219 76.88891 
1 1 1   17    6   51 o  494.353   44.178   6.6694   1.1228   6.6694   1.1228   0.0000   0.0000  494.353   44.178  ?   ?       ?      ? 
1 1 1   17    6   53 o  329.900   47.283   3.7378   0.7127   4.3260   0.8501   2.3469   1.3072  397.297   41.620  262.503   84.915 134.7934 94.56651 
1 1 1   17    7    0 o  3801.88   48.944  372.781   9.5632   0.0000   0.0000  372.781   9.5632  3801.88   48.944  3801.88   48.944 -0.000000 0.000000 
1 1 1   17    7    2 o  942.787   46.013   23.154   2.2057   22.477   3.3509   23.672   2.9299  929.849   70.094  955.724   59.629 -25.87488 92.02605 
1 1 1   17    7    4 o  367.182   40.832   3.4381   0.6850   3.8120   1.2842   3.2895   0.8098  377.413   68.717  356.950   44.124 20.46240 81.66373 
1 1 1   17    7    6 o  2006.71   31.937  104.082   3.2810  102.575   4.8502  105.352   4.4549  1992.89   47.338  2020.53   42.885 -27.64478 63.87472 
1 1 1   17    7    8 o  1466.62   30.519   55.499   2.3012   55.527   3.2654   55.472   3.2434  1466.97   43.296  1466.27   43.024 0.6959229 61.03819 
1 1 1   17    7   10 o  1527.06   29.316   60.115   2.2979   59.685   3.1566   60.600   3.3518  1521.39   40.356  1532.74   42.534 -11.35059 58.63205 
1 1 1   17    7   12 o  1307.17   37.240   42.956   2.2204   41.628   2.5795   46.754   4.3625  1270.70   39.484  1343.64   63.152 -72.93298 74.47918 
1 1 1   17    7   14 o  155.992   45.019   0.6410   0.3811   0.0000   0.0000   0.6410   0.3811  ?   ?   155.992   45.019      ?      ? 
1 1 1   17    7   16 o  1433.71   34.153   53.152   2.3557   53.290   2.8670   52.864   4.1328  1437.73   38.787  1429.70   56.224 8.029297 68.30523 
1 1 1   17    7   18 o  1557.22   28.243   62.410   2.2586   58.721   3.1185   66.480   3.2755  1508.89   40.200  1605.55   39.681 -96.66113 56.48506 
1 1 1   17    7   20 o  1486.84   34.831   56.695   2.4801   55.939   2.9945   58.345   4.4255  1472.60   39.552  1501.07   57.344 -28.47534 69.66176 
1 1 1   17    7   22 o  791.240   34.613   15.844   1.3232   15.217   1.6014   17.192   2.3495  767.839   40.565  814.641   56.097 -46.80170 69.22689 
1 1 1   17    7   24 o  859.749   34.854   19.112   1.4477   19.077   1.7672   19.182   2.5244  859.550   39.989  859.948   57.097 -0.3976440 69.70787 
1 1 1   17    7   26 o  662.714   34.308   11.092   1.1110   10.512   1.3570   12.272   1.9350  637.739   41.386  687.689   54.730 -49.94983 68.61628 
1 1 1   17    7   28 o  763.264   34.798   14.912   1.2882   14.506   1.5693   15.751   2.2556  748.696   40.768  777.833   56.405 -29.13647 69.59549 
1 1 1   17    7   30 o  1964.19   40.383  100.001   4.0780  100.001   4.0780   0.0000   0.0000  1964.19   40.383  ?   ?       ?      ? 
1 1 1   17    7   32 o  302.975   36.073   2.2972   0.4796   2.1545   0.5511   2.7425   0.9735  288.248   37.184  317.703   61.826 -29.45441 72.14674 
1 1 1   17    7   34 o  281.921   32.896   1.8302   0.4319   1.4450   0.5044   2.8882   0.8360  231.695   43.951  332.146   48.957 -100.4504 65.79112 
1 1 1   17    7   36 o  553.066   37.113   7.9552   0.9946   7.7382   1.2114   8.4041   1.7422  543.879   43.325  562.254   60.270 -18.37482 74.22594 
1 1 1   17    7   38 o  255.679   40.607   1.6692   0.4398   1.5978   0.4904   1.9626   0.9941  247.215   38.580  264.143   71.465 -16.92775 81.21370 
1 1 1   17    7   40 o  264.823   42.596   2.1470   0.5513   2.5232   0.6607   1.2845   1.0005  309.658   41.500  219.988   74.401 89.66975 85.19258 
1 1 1   17    7   42 o  206.828   39.126   1.0189   0.3738   0.8440   0.4254   1.6120   0.7834  175.070   46.481  238.586   62.952 -63.51656 78.25220 
1 1 1   17    7   44 o  226.071   31.492   0.9134   0.3400   0.3690   0.3857   2.8063   0.7193  127.201   45.968  324.941   43.057 -197.7401 62.98423 
1 1 1   17    7   46 o  229.363   40.954   1.4977   0.4627   1.5138   0.5622   1.4639   0.8145  233.159   48.479  225.567   66.021 7.591599 81.90894 
1 1 1   17    7   48 o  309.321   38.703   2.6452   0.5221   2.6109   0.6047   2.7458   1.0347  313.337   37.534  305.304   67.696 8.033478 77.40522 
1 1 1   17    7   50 o  395.211   49.242   4.6600   0.9621   3.6360   1.3501   5.7166   1.3714  341.443   78.546  448.978   59.411 -107.5349 98.48426 
1 1 1   17    7   52 o  175.309   38.313   0.9079   0.3657   0.9935   0.4243   0.6605   0.7214  186.678   44.783  163.940   62.177 22.73827 76.62567 
1 1 1   17    7   54 o  301.995   48.887   2.8903   0.7910   4.1908   1.1483   1.7155   1.0913  376.329   59.347  227.661   77.703 148.6682 97.77445 
1 1 1   17    8    1 o  1236.80   41.363   38.739   2.4589   42.086   4.4108   37.230   2.9619  1273.19   67.384  1200.41   47.991 72.77600 82.72675 
1 1 1   17    8    3 o  747.591   43.917   14.587   1.6329   14.078   2.6458   14.899   2.0752  736.178   69.905  759.004   53.179 -22.82550 87.83370 
1 1 1   17    8    5 f  1890.53   32.023   92.112   3.0991   93.878   4.6215   90.669   4.1775  1906.64   47.146  1874.42   43.350 32.21570 64.04621 
1 1 1   17    8    7 o  1233.00   31.350   39.217   1.9857   39.633   2.8734   38.836   2.7473  1239.18   45.101  1226.81   43.556 12.36768 62.70013 
1 1 1   17    8    9 o  512.888   30.016   6.7750   0.7909   6.4875   1.0937   7.0900   1.1450  501.505   42.418  524.271   42.479 -22.76559 60.03150 
1 1 1   17    8   11 o  1675.90   28.917   72.181   2.4851   69.259   3.3706   75.662   3.6784  1638.97   40.001  1712.83   41.771 -73.86389 57.83464 
1 1 1   17    8   13 o  1107.60   54.220   31.708   3.0875   31.708   3.0875   0.0000   0.0000  1107.60   54.220  ?   ?       ?      ? 
1 1 1   17    8   15 o  768.003   38.966   15.206   1.5386   15.206   1.5386   0.0000   0.0000  768.003   38.966  ?   ?       ?      ? 
1 1 1   17    8   17 o  1009.29   36.372   26.225   1.7110   26.088   2.0270   26.565   3.1907  1005.83   39.198  1012.74   61.280 -6.907837 72.74446 
1 1 1   17    8   19 o  1401.05   36.116   51.300   2.3791   52.147   2.8520   49.360   4.3136  1421.93   39.013  1380.17   60.791 41.76794 72.23255 
1 1 1   17    8   21 o  1889.73   35.176   92.307   3.1749   92.245   3.8365   92.442   5.6552  1890.78   39.466  1888.67   58.240 2.111816 70.35269 
1 1 1   17    8   23 o  1366.71   34.258   47.126   2.2741   44.855   2.7617   51.908   4.0077  1318.06   40.755  1415.36   55.076 -97.30518 68.51515 
1 1 1   17    8   25 o  577.102   41.607   8.7139   1.2234   9.9304   1.7174   7.4603   1.7433  618.773   53.984  535.432   63.328 83.34064 83.21458 
1 1 1   17    8   27 f  758.921   34.928   15.722   1.1502   16.489   1.3308   13.457   2.2864  799.367   32.382  718.475   61.897 80.89209 69.85543 
1 1 1   17    8   29 o  355.128   43.103   3.2703   0.7870   3.2703   0.7870   0.0000   0.0000  355.128   43.103  ?   ?       ?      ? 
1 1 1   17    8   31 o  750.050   34.938   14.357   1.2765   13.729   1.5569   15.644   2.2297  727.106   41.649  772.994   56.106 -45.88812 69.87520 
1 1 1   17    8   33 o  581.698   33.734   8.7566   0.8792   8.6705   1.0170   9.0114   1.7492  578.354   34.201  585.042   58.156 -6.688599 67.46712 
1 1 1   17    8   35 o  805.052   35.958   16.740   1.4169   16.098   1.7396   18.006   2.4421  785.008   43.103  825.096   57.569 -40.08838 71.91640 
1 1 1   17    8   37 o  647.367   31.935   9.7109   0.9483   8.3519   1.0868   14.048   1.9414  565.817   37.359  728.916   51.804 -163.0988 63.86977 
1 1 1   17    8   39 o  178.014   39.234   0.8286   0.3517   0.8459   0.3950   0.7626   0.7730  175.858   43.840  180.169   65.079 -4.310989 78.46815 
1 1 1   17    8   41 o  885.818   43.091   20.740   1.9624   20.740   1.9624   0.0000   0.0000  885.818   43.091  ?   ?       ?      ? 
1 1 1   17    8   43 o  643.623   36.586   11.577   1.0261   12.027   1.1892   10.268   2.0297  677.138   34.160  610.107   64.709 67.03192 73.17169 
1 1 1   17    8   45 o  462.587   38.721   5.9181   0.8709   6.1498   1.0857   5.5000   1.4586  480.065   43.988  445.110   63.737 34.95508 77.44234 
1 1 1   17    8   47 o  788.844   35.826   16.794   1.2491   16.664   1.4394   17.193   2.5134  793.938   35.263  783.751   62.374 10.18726 71.65234 
1 1 1   17    8   49 o  122.873   33.394   0.2915   0.2428   0.2867   0.2672   0.3140   0.5819  109.211   38.392  136.535   54.651 -27.32336 66.78814 
1 1 1   17    8   51 o  245.988   38.710   1.6313   0.4896   1.6313   0.4896   0.0000   0.0000  245.988   38.710  ?   ?       ?      ? 
1 1 1   17    8   53 o  219.189   39.800   1.4453   0.4105   1.4734   0.4714   1.3569   0.8348  228.844   41.597  209.533   67.867 19.31102 79.60059 
1 1 1   17    9    0 o  197.422   65.562   1.2886   0.5923   0.0000   0.0000   1.2886   0.5923  197.422   65.562  197.422   65.562 -0.000000 0.000000 
1 1 1   17    9    2 o  625.050   39.136   9.6013   1.1353   11.291   2.2042   8.9913   1.3245  659.852   64.974  590.250   43.647 69.60205 78.27295 
1 1 1   17    9    4 o  1298.53   39.747   43.343   2.4163   44.303   4.4814   42.949   2.8691  1306.92   66.695  1290.14   43.256 16.77856 79.49424 
1 1 1   17    9    6 o  438.594   32.510   4.9261   0.7279   5.8318   1.0786   4.1687   0.9864  475.392   44.131  401.797   47.750 73.59509 65.02035 
1 1 1   17    9    8 o  543.163   48.880   8.5949   1.0875   9.4444   1.2675   6.2245   2.1173  605.178   40.739  481.148   88.866 124.0302 97.75920 
1 1 1   17    9   10 o  1425.59   43.592   52.492   3.0995   52.117   3.9263   53.113   5.0491  1420.04   53.779  1431.15   68.621 -11.10547 87.18404 
1 1 1   17    9   12 o  996.013   54.016   25.639   2.7660   25.639   2.7660   0.0000   0.0000  996.013   54.016  ?   ?       ?      ? 
1 1 1   17    9   14 o  736.741   56.180   14.036   2.1280   14.036   2.1280   0.0000   0.0000  736.741   56.180  ?   ?       ?      ? 
1 1 1   17    9   16 o  754.023   36.078   14.085   1.2673   13.324   1.4848   16.127   2.4320  718.797   40.178  789.249   59.935 -70.45197 72.15582 
1 1 1   17    9   18 o  939.647   34.129   22.438   1.3692   22.148   1.5474   23.484   2.9393  927.163   32.462  952.131   60.045 -24.96771 68.25853 
1 1 1   17    9   20 o  603.663   39.669   10.255   1.0782   11.424   1.2963   7.6316   1.9418  665.518   37.887  541.808   69.708 123.7095 79.33842 
1 1 1   17    9   22 o  1145.62   32.788   33.058   1.6571   32.270   1.8946   35.623   3.4179  1118.86   32.937  1172.38   56.704 -53.52332 65.57604 
1 1 1   17    9   24 o  1780.98   33.341   82.323   2.6109   82.554   3.0000   81.601   5.3010  1789.21   32.613  1772.76   58.162 16.45483 66.68154 
1 1 1   17    9   26 o  1727.52   35.107   77.389   2.9356   77.451   3.5928   77.265   5.0921  1730.99   40.371  1724.04   57.448 6.947021 70.21461 
1 1 1   17    9   28 o  1109.18   40.680   31.854   2.3198   31.854   2.3198   0.0000   0.0000  1109.18   40.680  ?   ?       ?      ? 
1 1 1   17    9   30 o  399.476   40.342   4.6438   0.6478   5.0007   0.7445   3.5311   1.3146  439.755   32.931  359.196   73.659 80.55841 80.68471 
1 1 1   17    9   32 o  867.566   33.636   19.683   1.2990   19.727   1.5021   19.553   2.5871  872.746   33.477  862.385   58.351 10.36041 67.27199 
1 1 1   17    9   34 o  335.945   32.287   2.6559   0.5021   2.3231   0.5796   3.6562   1.0051  298.896   37.720  372.994   52.412 -74.09726 64.57390 
1 1 1   17    9   36 o  136.248   34.438   0.4308   0.2950   0.5072   0.3491   0.2396   0.5521  139.677   43.734  132.820   53.209 6.857208 68.87511 
1 1 1   17    9   38 o  500.793   42.639   7.7881   0.8411   8.7734   0.9795   5.0210   1.6414  580.473   32.821  421.114   78.709 159.3583 85.27820 
1 1 1   17    9   40 o  289.777   46.403   2.2250   0.6913   2.2250   0.6913   0.0000   0.0000  289.777   46.403  ?   ?       ?      ? 
1 1 1   17    9   42 o  251.422   35.816   1.5578   0.4002   1.3517   0.4601   2.1984   0.8113  222.774   41.706  280.069   58.239 -57.29514 71.63219 
1 1 1   17    9   44 o  245.133   38.743   1.8785   0.4389   2.1312   0.5090   1.1463   0.8666  284.722   34.775  205.545   69.245 79.17720 77.48647 
1 1 1   17    9   46 o  412.327   35.945   4.1485   0.7225   3.0003   0.8774   6.5680   1.2736  332.370   51.343  492.283   50.320 -159.9126 71.89063 
1 1 1   17    9   48 o  220.834   38.210   1.2051   0.3838   0.9995   0.4396   1.8643   0.7871  188.669   45.788  252.999   61.184 -64.33009 76.41967 
1 1 1   17    9   50 o  181.806   62.888   0.9128   0.7157   0.9128   0.7157   0.0000   0.0000  181.806   62.888  ?   ?       ?      ? 
1 1 1   17    9   52 o  220.600   38.740   1.3219   0.3873   1.2131   0.4425   1.6784   0.8007  207.103   42.966  234.096   64.475 -26.99309 77.48003 
1 1 1   17    9   54 o  271.612   39.990   1.9840   0.4813   1.7291   0.5524   2.7876   0.9809  245.340   45.465  297.885   65.801 -52.54478 79.98034 
1 1 1   17   10    1 o  2213.02   41.793  129.186   4.2059  132.095   4.9430  121.553   8.0058  2262.76   42.489  2163.29   71.982 99.46899 83.58643 
1 1 1   17   10    3 o  1316.93   42.775   44.744   2.8961   44.744   2.8961   0.0000   0.0000  1316.93   42.775  ?   ?       ?      ? 
1 1 1   17   10    5 f  2218.19   40.343  123.602   4.1012  119.389   4.7748  135.454   8.0085  2151.18   43.173  2285.19   68.164 -134.0139 80.68638 
1 1 1   17   10    7 f  1449.69   40.141   52.827   2.6164   51.280   3.0165   57.525   5.2570  1410.08   41.609  1489.30   68.658 -79.21655 80.28195 
1 1 1   17   10    9 o  1816.26   53.585   85.254   5.0037   85.254   5.0037   0.0000   0.0000  1816.26   53.585  ?   ?       ?      ? 
1 1 1   17   10   11 o  2451.88   40.489  155.007   5.1040  155.007   5.1040   0.0000   0.0000  2451.88   40.489  ?   ?       ?      ? 
1 1 1   17   10   13 o  761.387   37.960   15.295   1.1520   15.484   1.2799   14.488   2.6436  775.361   32.108  747.412   68.796 27.94916 75.92027 
1 1 1   17   10   15 o  2251.66   38.008  130.903   3.9093  130.703   4.5770  131.442   7.5165  2251.41   39.542  2251.91   64.922 -0.4953613 76.01648 
1 1 1   17   10   17 o  479.224   35.780   5.8927   0.7139   5.8627   0.8008   6.0089   1.5761  477.025   32.653  481.424   63.676 -4.398712 71.55967 
1 1 1   17   10   19 o  739.109   33.222   13.454   1.0646   12.924   1.2036   15.358   2.2818  708.181   33.058  770.036   57.637 -61.85449 66.44411 
1 1 1   17   10   21 o  2351.57   35.516  142.019   3.9664  140.378   4.7579  145.757   7.1815  2332.25   39.680  2370.90   58.916 -38.65747 71.03194 
1 1 1   17   10   23 o  890.191   34.770   21.116   1.3288   21.645   1.5200   19.402   2.7367  916.259   32.267  864.123   61.600 52.13617 69.53985 
1 1 1   17   10   25 o  1714.46   35.612   76.743   2.9299   77.798   3.5688   74.562   5.1314  1735.22   40.004  1693.71   58.929 41.50610 71.22449 
1 1 1   17   10   27 o  895.917   40.604   20.772   1.8703   20.772   1.8703   0.0000   0.0000  895.917   40.604  ?   ?       ?      ? 
1 1 1   17   10   29 o  181.938   36.519   0.9632   0.3474   1.1258   0.3956   0.4163   0.7256  205.149   38.936  158.727   61.795 46.42271 73.03823 
1 1 1   17   10   31 o  1049.01   35.214   28.262   1.7952   27.339   2.1894   30.156   3.1363  1025.75   41.516  1072.27   56.891 -46.52209 70.42867 
1 1 1   17   10   33 o  532.266   33.942   7.2613   0.8049   7.1147   0.9261   7.7141   1.6273  523.736   34.392  540.797   58.527 -17.06097 67.88437 
1 1 1   17   10   35 o  838.013   32.398   17.163   1.2332   15.889   1.4178   21.123   2.4991  781.692   35.278  894.333   54.351 -112.6411 64.79633 
1 1 1   17   10   37 o  238.676   32.710   1.0645   0.3701   0.4749   0.4231   2.9853   0.7636  140.218   48.361  337.134   44.057 -196.9162 65.41990 
1 1 1   17   10   39 o  279.574   44.463   2.0626   0.6391   2.0626   0.6391   0.0000   0.0000  279.574   44.463  ?   ?       ?      ? 
1 1 1   17   10   41 o  246.585   40.522   1.5498   0.4714   1.2949   0.5596   2.1730   0.8749  215.905   51.189  277.264   62.831 -61.35896 81.04394 
1 1 1   17   10   43 o  166.721   35.350   0.7154   0.2992   0.6669   0.3489   0.8501   0.5819  155.975   42.397  177.467   56.576 -21.49222 70.69936 
1 1 1   17   10   45 o  569.062   33.978   8.1251   0.8833   7.4847   1.0191   10.059   1.7708  532.150   37.248  605.973   56.838 -73.82233 67.95623 
1 1 1   17   10   47 o  444.556   43.938   6.2509   0.7812   6.9524   0.9116   4.3100   1.5162  512.841   34.573  376.272   80.789 136.5692 87.87641 
1 1 1   17   10   49 o  314.894   43.771   3.5620   0.6948   4.9587   0.8613   0.9602   1.1756  430.093   38.952  199.695   78.398 230.3984 87.54135 
1 1 1   17   10   51 o  278.629   40.955   2.3776   0.5010   2.5045   0.5781   1.9950   1.0038  305.216   36.842  252.042   73.157 53.17424 81.91081 
1 1 1   17   10   53 o  160.063   35.979   0.7726   0.3230   0.8848   0.3630   0.3451   0.7082  176.414   40.827  143.712   59.255 32.70210 71.95845 
1 1 1   17   11    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   11    2 o  1126.71   54.244   32.819   3.1422   32.819   3.1422   0.0000   0.0000  1126.71   54.244  ?   ?       ?      ? 
1 1 1   17   11    4 o  1283.79   44.850   42.714   2.8666   42.781   3.6295   42.601   4.6737  1286.37   54.880  1281.21   70.953 5.160645 89.70073 
1 1 1   17   11    6 o  1718.65   42.914   76.192   3.7919   76.192   3.7919   0.0000   0.0000  1718.65   42.914  ?   ?       ?      ? 
1 1 1   17   11    8 o  2150.67   32.838  119.140   3.6310  119.140   3.6310   0.0000   0.0000  2150.67   32.838  ?   ?       ?      ? 
1 1 1   17   11   10 f  834.006   40.281   17.934   1.7272   17.934   1.7272   0.0000   0.0000  834.006   40.281  ?   ?       ?      ? 
1 1 1   17   11   12 o  1633.28   37.243   67.842   2.4404   67.198   2.7016   70.694   5.6888  1615.20   32.533  1651.36   67.005 -36.15540 74.48505 
1 1 1   17   11   14 f  1343.26   39.482   47.480   2.3847   48.388   2.7826   44.971   4.6281  1369.88   39.509  1316.64   68.370 53.24487 78.96478 
1 1 1   17   11   16 f  1363.82   34.783   45.930   1.9748   44.518   2.2018   51.740   4.4657  1314.51   32.579  1413.13   61.466 -98.61267 69.56651 
1 1 1   17   11   18 o  1262.52   33.955   39.305   1.8213   37.935   2.0442   44.580   4.0112  1213.32   32.770  1311.71   59.480 -98.38794 67.90950 
1 1 1   17   11   20 o  1637.72   35.707   67.823   2.7668   65.520   3.2923   73.360   5.1051  1593.33   40.190  1682.10   59.031 -88.77478 71.41389 
1 1 1   17   11   22 o  496.735   34.727   6.2574   0.7402   6.1561   0.8376   6.6185   1.5814  488.621   33.341  504.849   60.927 -16.22784 69.45343 
1 1 1   17   11   24 o  1235.67   33.696   39.314   1.8162   39.123   2.0753   39.938   3.7533  1231.60   32.775  1239.75   58.886 -8.150513 67.39235 
1 1 1   17   11   26 o  537.815   59.340   7.5349   1.6408   7.5349   1.6408   0.0000   0.0000  537.815   59.340  ?   ?       ?      ? 
1 1 1   17   11   28 o  154.477   37.723   0.5430   0.3439   0.5010   0.4145   0.6357   0.6161  143.096   47.893  165.858   58.296 -22.76152 75.44656 
1 1 1   17   11   30 o  867.350   34.337   19.834   1.3096   20.053   1.5087   19.164   2.6373  880.341   33.334  854.359   60.041 25.98224 68.67318 
1 1 1   17   11   32 o  424.235   40.397   5.2014   0.6938   5.5665   0.7984   4.0753   1.4021  463.481   33.504  384.988   73.521 78.49298 80.79494 
1 1 1   17   11   34 f  923.771   35.334   23.127   1.4235   23.828   1.6435   21.020   2.8486  958.150   33.363  889.391   62.296 68.75946 70.66772 
1 1 1   17   11   36 f  1388.72   36.326   50.860   2.4416   50.678   2.9877   51.225   4.2363  1391.35   41.766  1386.08   59.447 5.275269 72.65250 
1 1 1   17   11   38 o  117.038   32.414   0.2222   0.2857   0.3424   0.3547   0.0000   0.4823  123.089   44.126  110.987   47.493 12.10139 64.82819 
1 1 1   17   11   40 o  643.962   39.113   12.069   1.0616   12.960   1.2271   9.4173   2.1163  704.016   33.903  583.909   70.497 120.1068 78.22550 
1 1 1   17   11   42 o  489.403   33.554   5.8658   0.7459   5.3241   0.8555   7.5818   1.5228  449.823   36.993  528.984   55.991 -79.16046 67.10819 
1 1 1   17   11   44 o  543.296   36.045   7.9963   0.8690   8.0286   1.0059   7.9014   1.7249  552.187   35.434  534.405   62.782 17.78149 72.09084 
1 1 1   17   11   46 f  526.674   37.377   7.3031   0.9682   6.6872   1.1867   8.5291   1.6743  498.250   46.327  555.097   58.667 -56.84662 74.75302 
1 1 1   17   11   48 o  210.417   38.196   1.3275   0.3886   1.4394   0.4427   0.9523   0.8109  232.452   37.045  188.382   66.810 44.07079 76.39288 
1 1 1   17   11   50 o  152.271   49.214   0.6357   0.4392   0.6357   0.4392   0.0000   0.0000  152.271   49.214  ?   ?       ?      ? 
1 1 1   17   11   52 o  303.959   39.676   2.5119   0.5216   2.3403   0.5952   3.0798   1.0828  293.172   39.487  314.745   68.829 -21.57275 79.35193 
1 1 1   17   12    1 o  267.623   41.125   1.5567   0.5098   1.0591   0.5909   3.0055   1.0083  199.535   55.555  335.711   60.652 -136.1760 82.24954 
1 1 1   17   12    3 o  1753.35   42.528   79.295   3.8336   79.295   3.8336   0.0000   0.0000  1753.35   42.528  ?   ?       ?      ? 
1 1 1   17   12    5 o  1669.14   42.336   71.858   3.6331   71.858   3.6331   0.0000   0.0000  1669.14   42.336  ?   ?       ?      ? 
1 1 1   17   12    7 o  717.819   33.566   13.273   1.2387   13.273   1.2387   0.0000   0.0000  717.819   33.566  ?   ?       ?      ? 
1 1 1   17   12    9 o  1211.10   40.765   37.806   2.1982   37.675   2.5370   38.201   4.4029  1208.75   40.823  1213.45   70.574 -4.694946 81.53062 
1 1 1   17   12   11 o  2474.29   38.346  158.073   3.7567  157.973   4.1519  158.527   8.8223  2476.48   32.610  2472.09   69.414 4.392822 76.69255 
1 1 1   17   12   13 o  606.031   35.861   8.6370   0.8812   8.1576   0.9692   10.925   2.1172  562.711   33.500  649.350   63.418 -86.63983 71.72231 
1 1 1   17   12   15 o  1152.19   38.461   33.997   2.0160   33.614   2.3493   35.069   3.9269  1141.60   40.027  1162.79   65.687 -21.18860 76.92145 
1 1 1   17   12   17 o  2120.43   35.688  114.843   3.1266  113.907   3.4951  118.592   6.9954  2102.57   32.332  2138.28   63.632 -35.70459 71.37516 
1 1 1   17   12   19 o  486.044   46.322   7.4883   0.8070   8.2952   0.9077   4.4472   1.7622  567.389   31.118  404.698   87.262 162.6908 92.64462 
1 1 1   17   12   21 o  1709.27   35.824   73.999   2.8984   71.591   3.4510   79.764   5.3396  1665.22   40.309  1753.33   59.235 -88.10522 71.64897 
1 1 1   17   12   23 o  596.731   34.859   9.2042   0.8908   9.1899   1.0109   9.2536   1.8845  596.921   32.938  596.542   61.446 0.3792725 69.71731 
1 1 1   17   12   25 o  582.222   42.005   8.8326   1.2551   8.9785   1.7326   8.6715   1.8206  587.533   57.357  576.912   61.383 10.62103 84.01024 
1 1 1   17   12   27 o  1010.27   32.257   24.754   1.4608   23.121   1.6693   30.090   3.0180  945.868   34.328  1074.68   54.623 -128.8092 64.51390 
1 1 1   17   12   29 o  438.345   37.367   5.3387   0.6930   5.6236   0.7952   4.4390   1.4131  466.281   33.170  410.409   66.970 55.87143 74.73430 
1 1 1   17   12   31 o  150.549   37.727   0.4737   0.3416   0.3848   0.4078   0.6828   0.6255  131.807   47.309  169.292   58.781 -37.48439 75.45417 
1 1 1   17   12   33 o  860.763   33.669   19.187   1.2894   18.974   1.4860   19.833   2.5943  855.142   33.799  866.385   58.242 -11.24347 67.33891 
1 1 1   17   12   35 o  715.007   33.462   12.823   1.0804   12.196   1.2444   14.743   2.1777  684.568   35.356  745.445   56.822 -60.87677 66.92321 
1 1 1   17   12   37 o  151.571   34.910   0.5804   0.3479   0.8974   0.4326   0.0000   0.5854  181.125   46.287  122.016   52.271 59.10870 69.81924 
1 1 1   17   12   39 o  478.948   35.943   6.0051   0.8851   6.0051   0.8851   0.0000   0.0000  478.948   35.943  ?   ?       ?      ? 
1 1 1   17   12   41 f  164.558   40.146   0.5224   0.3775   0.3191   0.4376   1.1147   0.7468  127.336   48.393  201.780   64.070 -74.44388 80.29203 
1 1 1   17   12   43 o  565.292   35.280   8.2711   0.8958   7.9400   1.0319   9.2835   1.8045  548.991   36.561  581.593   60.348 -32.60242 70.55947 
1 1 1   17   12   45 o  466.032   37.680   5.9998   0.7667   6.0855   0.8839   5.7396   1.5408  480.084   35.810  451.980   66.307 28.10425 75.35947 
1 1 1   17   12   47 o  498.951   33.316   5.7924   0.7630   4.7707   0.8726   9.1111   1.5727  422.411   40.180  575.490   53.156 -153.0793 66.63287 
1 1 1   17   12   49 o  460.922   36.587   5.6773   0.8670   5.6773   0.8670   0.0000   0.0000  460.922   36.587  ?   ?       ?      ? 
1 1 1   17   12   51 o  152.501   36.775   0.5999   0.3138   0.5740   0.3624   0.6777   0.6275  143.820   44.485  161.182   58.572 -17.36212 73.54974 
1 1 1   17   12   53 o  263.891   40.200   2.0478   0.4693   2.0272   0.5383   2.1131   0.9584  272.281   38.450  255.500   70.609 16.78085 80.39977 
1 1 1   17   13    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   13    2 o  866.039   55.456   19.391   2.4692   19.391   2.4692   0.0000   0.0000  866.039   55.456  ?   ?       ?      ? 
1 1 1   17   13    4 o  1471.34   42.352   55.835   3.2038   55.835   3.2038   0.0000   0.0000  1471.34   42.352  ?   ?       ?      ? 
1 1 1   17   13    6 o  1466.79   42.230   55.489   3.1846   55.489   3.1846   0.0000   0.0000  1466.79   42.230  ?   ?       ?      ? 
1 1 1   17   13    8 o  1416.34   33.003   51.672   2.4032   51.672   2.4032   0.0000   0.0000  1416.34   33.003  ?   ?       ?      ? 
1 1 1   17   13   10 o  1901.30   40.666   93.255   3.4539   92.995   3.9937   94.027   6.8799  1898.98   40.906  1903.61   70.296 -4.627686 81.33179 
1 1 1   17   13   12 o  1143.60   37.503   32.958   1.7189   32.467   1.8999   35.175   4.0352  1122.64   32.918  1164.56   67.396 -41.92590 75.00572 
1 1 1   17   13   14 o  1461.60   36.565   53.296   2.1682   52.136   2.4017   58.407   5.0414  1422.53   32.839  1500.68   65.342 -78.14673 73.13010 
1 1 1   17   13   16 o  665.078   36.552   11.172   0.9904   11.006   1.1003   11.880   2.2736  653.546   32.746  676.611   65.359 -23.06439 73.10346 
1 1 1   17   13   18 o  798.277   34.631   15.569   1.1615   14.949   1.2968   18.083   2.6114  761.560   33.121  834.995   60.829 -73.43561 69.26197 
1 1 1   17   13   20 o  1617.66   37.866   68.780   2.8201   70.098   3.3359   65.478   5.2795  1647.99   39.372  1587.33   64.693 60.66589 75.73190 
1 1 1   17   13   22 f  1091.74   34.899   30.574   1.6200   30.350   1.8305   31.385   3.4795  1084.81   32.821  1098.68   61.600 -13.86719 69.79814 
1 1 1   17   13   24 o  1296.00   36.657   43.642   2.2439   43.749   2.6899   43.396   4.0688  1300.97   40.215  1291.02   61.301 9.949463 73.31487 
1 1 1   17   13   26 o  1275.31   40.457   42.104   2.6526   42.104   2.6526   0.0000   0.0000  1275.31   40.457  ?   ?       ?      ? 
1 1 1   17   13   28 o  160.336   36.450   0.6628   0.3066   0.7160   0.3433   0.4533   0.6814  163.012   41.001  157.660   60.278 5.352066 72.90098 
1 1 1   17   13   30 o  318.401   43.344   3.3592   0.5694   3.8980   0.6519   1.6258   1.1692  388.066   32.672  248.736   80.295 139.3296 86.68752 
1 1 1   17   13   32 o  322.428   39.598   2.8808   0.5281   2.9601   0.6016   2.6143   1.1026  337.761   34.644  307.094   71.216 30.66742 79.19579 
1 1 1   17   13   34 o  1012.23   34.104   26.593   1.5289   26.283   1.7580   27.557   3.0971  1005.69   34.001  1018.76   59.130 -13.06470 68.20893 
1 1 1   17   13   36 o  722.578   36.601   13.755   1.2818   13.607   1.5680   14.052   2.2254  720.279   42.342  724.876   59.714 -4.596741 73.20219 
1 1 1   17   13   38 o  354.555   35.547   3.2866   0.6480   3.2866   0.6480   0.0000   0.0000  354.555   35.547  ?   ?       ?      ? 
1 1 1   17   13   40 o  683.702   36.084   12.544   1.0793   12.581   1.2400   12.430   2.1921  692.977   34.806  674.427   63.221 18.55011 72.16840 
1 1 1   17   13   42 o  187.333   39.475   0.9508   0.3523   0.9703   0.3898   0.8642   0.8230  187.932   41.458  186.733   67.190 1.199753 78.95074 
1 1 1   17   13   44 o  456.276   37.898   5.6368   0.7506   5.6169   0.8588   5.7009   1.5446  461.381   36.204  451.171   66.589 10.20926 75.79512 
1 1 1   17   13   46 o  327.627   41.867   3.0002   0.6547   2.9391   0.8084   3.1166   1.1163  329.456   47.724  325.798   68.803 3.657532 83.73405 
1 1 1   17   13   48 o  220.133   53.902   1.3946   0.6052   1.3946   0.6052   0.0000   0.0000  220.133   53.902  ?   ?       ?      ? 
1 1 1   17   13   50 o  227.540   35.987   1.2012   0.4390   0.4788   0.5350   2.6904   0.7681  143.219   53.714  311.861   47.906 -168.6422 71.97330 
1 1 1   17   13   52 o  140.661   35.297   0.5189   0.2914   0.5638   0.3275   0.3489   0.6377  141.616   41.982  139.707   56.755 1.909744 70.59479 
1 1 1   17   14    1 o  815.770   71.014   21.344   2.4370   1.6823   3.3438   43.622   3.5593  332.279  131.654  1299.26   53.284 -966.9815 142.0278 
1 1 1   17   14    3 o  1465.87   44.712   55.653   3.2744   55.677   4.1667   55.614   5.2946  1467.56   55.224  1464.18   70.335 3.377441 89.42439 
1 1 1   17   14    5 o  196.119   43.302   0.9776   0.4659   0.9830   0.5684   0.9664   0.8130  192.653   54.789  199.584   67.070 -6.930847 86.60393 
1 1 1   17   14    7 o  832.486   38.451   17.865   1.6457   17.865   1.6457   0.0000   0.0000  832.486   38.451  ?   ?       ?      ? 
1 1 1   17   14    9 o  554.567   41.589   7.9320   1.1858   7.9320   1.1858   0.0000   0.0000  554.567   41.589  ?   ?       ?      ? 
1 1 1   17   14   11 o  2003.99   32.806  103.457   3.3800  103.457   3.3800   0.0000   0.0000  2003.99   32.806  ?   ?       ?      ? 
1 1 1   17   14   13 o  1094.98   32.725   30.891   1.8423   30.891   1.8423   0.0000   0.0000  1094.98   32.725  ?   ?       ?      ? 
1 1 1   17   14   15 o  1508.99   40.165   60.038   2.7086   61.206   3.1509   56.733   5.3014  1540.34   39.788  1477.64   69.784 62.69617 80.32951 
1 1 1   17   14   17 o  1396.79   38.536   52.809   2.1434   54.256   2.3909   46.885   4.8382  1451.00   32.049  1342.59   70.092 108.4098 77.07198 
1 1 1   17   14   19 o  1063.83   36.196   29.270   1.5880   29.257   1.7776   29.323   3.5341  1065.38   32.453  1062.29   64.710 3.092285 72.39174 
1 1 1   17   14   21 o  644.167   33.497   9.7014   0.9286   8.9444   1.0392   12.702   2.0690  588.838   34.326  699.495   57.533 -110.6567 66.99490 
1 1 1   17   14   23 o  659.464   40.297   11.240   1.3662   11.240   1.3662   0.0000   0.0000  659.464   40.297  ?   ?       ?      ? 
1 1 1   17   14   25 o  158.507   39.460   0.6755   0.3203   0.6755   0.3203   0.0000   0.0000  158.507   39.460  ?   ?       ?      ? 
1 1 1   17   14   27 o  481.101   37.686   6.4375   0.7616   6.7803   0.8714   5.3290   1.5669  512.145   33.096  450.057   67.718 62.08755 75.37288 
1 1 1   17   14   29 o  566.013   38.033   8.5057   1.0171   8.7086   1.2272   8.0608   1.8175  579.003   41.227  553.023   63.925 25.98053 76.06638 
1 1 1   17   14   31 o  214.214   38.219   1.3829   0.4436   1.7629   0.5292   0.4856   0.8132  260.367   39.534  168.060   65.420 92.30656 76.43813 
1 1 1   17   14   33 o  720.232   35.711   13.900   1.1121   14.138   1.2745   13.141   2.2766  737.875   33.596  702.590   63.027 35.28473 71.42161 
1 1 1   17   14   35 o  496.530   35.350   6.4319   0.7819   6.3556   0.9018   6.6630   1.5689  493.889   35.516  499.170   61.131 -5.281433 70.69935 
1 1 1   17   14   37 o  294.439   44.871   2.2862   0.6793   2.2862   0.6793   0.0000   0.0000  294.439   44.871  ?   ?       ?      ? 
1 1 1   17   14   39 o  561.707   34.555   7.8035   0.8633   7.2551   0.9830   9.6528   1.8053  526.029   36.348  597.385   58.779 -71.35614 69.10957 
1 1 1   17   14   41 o  176.567   40.232   0.8244   0.4041   0.8044   0.5047   0.8601   0.6744  171.951   52.376  181.183   61.084 -9.231796 80.46436 
1 1 1   17   14   43 o  434.213   34.254   4.2931   0.6706   3.5726   0.7593   6.8456   1.4292  367.088   40.235  501.337   55.449 -134.2488 68.50880 
1 1 1   17   14   45 o  266.860   42.087   2.2192   0.5003   2.4219   0.5709   1.5487   1.0385  302.441   36.718  231.279   75.743 71.16234 84.17353 
1 1 1   17   14   47 o  326.592   46.076   3.1665   0.6907   3.2801   0.8239   2.8979   1.2671  347.646   46.099  305.538   79.793 42.10883 92.15218 
1 1 1   17   14   49 o  267.125   41.168   2.5332   0.5256   3.0597   0.6093   1.0014   1.0392  338.588   35.002  195.661   74.526 142.9275 82.33644 
1 1 1   17   14   51 o   92.746   28.774   0.0000   0.2120   0.0000   0.2355   0.0000   0.4877   77.049   33.084  108.442   47.088 -31.39297 57.54853 
1 1 1   17   14   53 o  105.885   30.733   0.1661   0.2555   0.2312   0.3015   0.0000   0.4815  104.950   40.101  106.820   46.583 -1.869354 61.46654 
1 1 1   17   15    0 o  1753.29   71.342   79.786   6.4067   0.0000   0.0000   79.786   6.4067  1753.29   71.342  1753.29   71.342 -0.000000 0.000000 
1 1 1   17   15    2 o  1554.49   42.555   62.307   3.1584   61.917   3.8105   63.162   5.6458  1548.67   47.858  1560.30   70.380 -11.62854 85.11009 
1 1 1   17   15    4 o  1382.31   42.632   50.539   2.6544   51.775   3.1049   47.179   5.1172  1416.78   42.625  1347.85   73.845 68.93030 85.26396 
1 1 1   17   15    6 o  1079.43   38.109   28.235   1.6459   27.199   1.8096   33.195   3.9604  1027.48   34.255  1131.38   68.086 -103.8971 76.21742 
1 1 1   17   15    8 o  526.475   41.366   7.1201   0.9283   7.0790   1.0503   7.2669   1.9844  523.993   38.988  528.956   72.970 -4.963318 82.73293 
1 1 1   17   15   10 o  1843.19   40.724   87.983   3.2457   88.040   3.6999   87.792   6.7618  1847.81   38.946  1838.58   71.533 9.235596 81.44801 
1 1 1   17   15   12 o  3150.40   39.060  255.959   6.3266  255.959   6.3266   0.0000   0.0000  3150.40   39.060  ?   ?       ?      ? 
1 1 1   17   15   14 o  1653.99   32.556   70.490   2.7685   70.490   2.7685   0.0000   0.0000  1653.99   32.556  ?   ?       ?      ? 
1 1 1   17   15   16 o  1364.69   32.515   47.997   2.2813   47.997   2.2813   0.0000   0.0000  1364.69   32.515  ?   ?       ?      ? 
1 1 1   17   15   18 o  525.358   32.782   7.1146   0.8854   7.1146   0.8854   0.0000   0.0000  525.358   32.782  ?   ?       ?      ? 
1 1 1   17   15   20 o  2054.25   37.212  107.064   3.5375  104.200   4.1506  114.667   6.7626  2008.56   40.194  2099.94   62.638 -91.37964 74.42458 
1 1 1   17   15   22 o  546.950   41.003   7.7319   1.1530   7.7319   1.1530   0.0000   0.0000  546.950   41.003  ?   ?       ?      ? 
1 1 1   17   15   24 f  304.049   34.730   2.3879   0.5429   2.3879   0.5429   0.0000   0.0000  304.049   34.730  ?   ?       ?      ? 
1 1 1   17   15   26 o  335.879   44.810   3.5250   0.6660   4.2200   0.7978   1.9275   1.2096  403.700   38.440  268.059   80.958 135.6409 89.62054 
1 1 1   17   15   28 o  472.407   33.720   5.4579   0.7065   5.1383   0.8043   6.5374   1.4782  445.445   35.118  499.368   57.576 -53.92325 67.44091 
1 1 1   17   15   30 o  1079.32   36.188   29.988   1.8740   29.095   2.2593   31.958   3.3550  1057.36   41.560  1101.27   59.255 -43.90686 72.37686 
1 1 1   17   15   32 o  338.261   42.214   3.2588   0.5695   3.3845   0.6413   2.7895   1.2387  361.011   34.554  315.510   77.034 45.50104 84.42858 
1 1 1   17   15   34 o  284.591   35.881   1.8689   0.4463   1.5952   0.5051   2.8433   0.9528  247.105   39.756  322.076   59.742 -74.97092 71.76136 
1 1 1   17   15   36 o  643.940   61.504   11.154   2.0362   11.154   2.0362   0.0000   0.0000  643.940   61.504  ?   ?       ?      ? 
1 1 1   17   15   38 o  226.750   37.992   1.6932   0.4312   2.0567   0.4951   0.5520   0.8772  280.470   34.336  173.030   67.784 107.4402 75.98479 
1 1 1   17   15   40 o  467.001   37.931   5.6454   0.8584   5.2183   1.0363   6.5793   1.5324  442.964   45.502  491.038   60.701 -48.07446 75.86194 
1 1 1   17   15   42 f  422.840   37.025   4.7239   0.6903   4.6223   0.7915   5.0468   1.4108  418.781   36.764  426.899   64.280 -8.117401 74.05096 
1 1 1   17   15   44 o  351.213   34.917   2.7959   0.5551   2.2782   0.6293   4.6106   1.1783  292.306   41.878  410.120   55.884 -117.8141 69.83386 
1 1 1   17   15   46 o  587.178   46.930   9.7926   1.4053   8.2747   1.9297   11.506   2.0505  535.580   70.081  638.775   62.436 -103.1954 93.85913 
1 1 1   17   15   48 f  159.278   44.424   0.7114   0.3775   0.7114   0.3775   0.0000   0.0000  159.278   44.424  ?   ?       ?      ? 
1 1 1   17   15   50 o  290.554   45.033   2.1230   0.5996   1.5598   0.6935   3.7905   1.1932  228.652   58.692  352.456   68.316 -123.8045 90.06606 
1 1 1   17   15   52 o  414.856   40.027   4.6775   0.7075   4.4044   0.7959   5.7061   1.5448  401.387   38.569  428.325   70.149 -26.93808 80.05318 
1 1 1   17   16    1 o  2291.58   42.474  132.627   4.7340  126.224   5.7573  145.992   8.3182  2210.51   50.659  2372.64   68.191 -162.1289 84.94881 
1 1 1   17   16    3 o  226.442   44.331   1.3026   0.4898   1.2328   0.5723   1.4937   0.9469  214.198   52.398  238.687   71.523 -24.48918 88.66278 
1 1 1   17   16    5 o  895.600   37.037   19.017   1.3520   18.025   1.4904   23.630   3.2136  836.403   34.658  954.796   65.466 -118.3935 74.07441 
1 1 1   17   16    7 o  310.363   40.306   2.2928   0.4834   2.1641   0.5284   2.9536   1.1974  289.785   35.468  330.941   72.390 -41.15582 80.61240 
1 1 1   17   16    9 o  1027.78   41.359   26.875   1.9023   26.403   2.1938   28.307   3.8191  1011.62   42.181  1043.95   71.156 -32.32758 82.71832 
1 1 1   17   16   11 o  1896.18   42.198   96.662   3.4136   99.699   3.9021   86.758   7.0463  1966.22   38.601  1826.13   75.052 140.0973 84.39652 
1 1 1   17   16   13 o  721.641   42.871   14.280   1.3178   14.978   1.5132   12.087   2.6811  762.056   38.623  681.227   76.550 80.82910 85.74173 
1 1 1   17   16   15 o  2113.28   44.324  115.688   4.7140  114.878   6.0660  116.922   7.4900  2105.97   56.025  2120.59   68.700 -14.61963 88.64825 
1 1 1   17   16   17 o  535.684   39.942   7.4070   1.1000   7.4070   1.1000   0.0000   0.0000  535.684   39.942  ?   ?       ?      ? 
1 1 1   17   16   19 o  568.578   32.901   8.3367   0.9618   8.3367   0.9618   0.0000   0.0000  568.578   32.901  ?   ?       ?      ? 
1 1 1   17   16   21 o  732.734   40.124   13.873   1.5115   13.873   1.5115   0.0000   0.0000  732.734   40.124  ?   ?       ?      ? 
1 1 1   17   16   23 o  1698.01   32.712   74.427   2.8557   74.427   2.8557   0.0000   0.0000  1698.01   32.712  ?   ?       ?      ? 
1 1 1   17   16   25 o  1187.21   36.899   36.275   2.0651   35.640   2.4603   37.790   3.7989  1172.79   40.803  1201.63   61.493 -28.83960 73.79875 
1 1 1   17   16   27 o  859.310   37.280   20.108   1.3338   20.747   1.5120   17.867   2.8325  895.568   32.838  823.052   66.939 72.51630 74.55972 
1 1 1   17   16   29 o  614.994   33.218   9.1265   0.9036   8.4808   1.0252   11.376   1.9133  571.985   34.861  658.004   56.556 -86.01904 66.43697 
1 1 1   17   16   31 f  506.985   36.241   6.3903   0.8806   5.8175   1.0489   7.7587   1.6212  472.098   43.213  541.871   58.193 -69.77292 72.48292 
1 1 1   17   16   33 o  619.937   34.005   9.4820   0.9365   8.9148   1.0673   11.381   1.9529  585.273   35.469  654.601   58.027 -69.32782 68.00903 
1 1 1   17   16   35 o  158.633   49.404   0.6638   0.4462   0.6638   0.4462   0.0000   0.0000  158.633   49.404  ?   ?       ?      ? 
1 1 1   17   16   37 o  731.595   35.448   13.997   1.1378   13.774   1.3022   14.714   2.3393  725.887   34.894  737.302   61.713 -11.41528 70.89509 
1 1 1   17   16   39 o  540.267   36.462   7.8615   0.8664   7.9009   0.9986   7.7416   1.7428  548.886   35.386  531.648   63.762 17.23816 72.92306 
1 1 1   17   16   41 o  1039.66   38.066   29.195   1.9029   29.109   2.3178   29.372   3.3329  1046.67   43.073  1032.65   62.777 14.01416 76.13255 
1 1 1   17   16   43 o  405.967   38.056   4.4195   0.6677   4.3625   0.7607   4.6110   1.3933  406.492   36.400  405.442   66.843 1.050232 76.11116 
1 1 1   17   16   45 o  388.687   37.236   3.6703   0.6313   3.2958   0.7092   5.0993   1.3854  351.719   39.221  425.655   63.307 -73.93652 74.47148 
1 1 1   17   16   47 o  347.588   37.079   3.2252   0.6626   3.2252   0.6626   0.0000   0.0000  347.588   37.079  ?   ?       ?      ? 
1 1 1   17   16   49 o  484.101   41.201   6.7775   0.8462   6.8612   0.9667   6.5030   1.7502  505.128   37.222  463.075   73.515 42.05273 82.40147 
1 1 1   17   16   51 o  219.113   42.015   1.5466   0.4836   1.7517   0.5774   1.0650   0.8847  247.068   47.180  191.158   69.534 55.91026 84.02968 
1 1 1   17   17    0 o  450.717   49.383   5.4495   1.0329   6.2531   1.7127   4.9903   1.2948  474.896   75.979  426.539   63.103 0.000000 0.000000 
1 1 1   17   17    2 o  2431.19   28.538  152.988   3.5063  155.587   4.5787  149.303   5.4524  2457.00   36.246  2405.38   44.089 51.62354 57.07593 
1 1 1   17   17    4 o  496.839   25.829   6.3432   0.6581   6.1053   0.8939   6.6250   0.9726  486.722   35.721  506.957   37.317 -20.23492 51.65821 
1 1 1   17   17    6 o  2139.47   40.850  118.754   3.5958  118.949   4.0239  117.981   8.0107  2148.20   36.434  2130.75   73.126 17.44507 81.69927 
1 1 1   17   17    8 o  1292.94   49.402   43.450   3.2646   43.755   4.3946   43.074   4.8766  1298.75   65.816  1287.13   73.693 11.62231 98.80431 
1 1 1   17   17   10 o  1386.86   42.013   50.122   2.5823   50.419   2.9808   49.228   5.1692  1397.86   41.477  1375.86   73.077 21.99573 84.02695 
1 1 1   17   17   12 o  842.100   39.891   17.651   1.5183   16.918   1.7510   19.869   3.0481  809.623   42.066  874.577   67.790 -64.95447 79.78150 
1 1 1   17   17   14 o  723.734   41.303   13.539   1.3297   13.500   1.5344   13.654   2.6647  723.185   41.268  724.284   71.560 -1.098083 82.60629 
1 1 1   17   17   16 o  1183.24   39.128   35.300   2.0675   34.347   2.3768   38.267   4.1917  1153.50   40.077  1212.98   67.215 -59.47729 78.25629 
1 1 1   17   17   18 o  1817.53   39.648   86.521   3.2222   87.390   3.7405   84.022   6.3444  1839.56   39.550  1795.50   68.728 44.06604 79.29512 
1 1 1   17   17   20 o  993.057   56.600   25.609   2.8897   25.609   2.8897   0.0000   0.0000  993.057   56.600  ?   ?       ?      ? 
1 1 1   17   17   22 o  760.301   40.570   14.954   1.5859   14.954   1.5859   0.0000   0.0000  760.301   40.570  ?   ?       ?      ? 
1 1 1   17   17   24 o  553.943   33.282   7.9291   0.9479   7.9291   0.9479   0.0000   0.0000  553.943   33.282  ?   ?       ?      ? 
1 1 1   17   17   26 o  145.108   44.923   0.5456   0.3695   0.5456   0.3695   0.0000   0.0000  145.108   44.923  ?   ?       ?      ? 
1 1 1   17   17   28 o  189.914   37.094   1.0803   0.3568   1.2507   0.3922   0.2626   0.8592  219.690   34.728  160.137   65.559 59.55327 74.18870 
1 1 1   17   17   30 o  398.825   38.802   4.1754   0.7407   4.1550   0.8966   4.2192   1.3142  399.009   43.709  398.642   64.123 0.3661194 77.60313 
1 1 1   17   17   32 o  710.175   34.808   13.008   1.0786   12.782   1.2302   13.758   2.2434  701.274   34.119  719.076   60.682 -17.80145 69.61613 
1 1 1   17   17   34 o  958.507   38.955   25.341   1.7413   26.849   2.1060   22.080   3.0960  1012.65   40.451  904.366   66.586 108.2820 77.91064 
1 1 1   17   17   36 o  954.193   37.273   24.160   1.7107   23.950   2.0794   24.601   3.0090  953.830   42.403  954.556   61.313 -0.7258301 74.54684 
1 1 1   17   17   38 o  228.122   38.893   1.7159   0.4392   2.0434   0.4983   0.5775   0.9290  279.336   34.700  176.908   69.617 102.4278 77.78552 
1 1 1   17   17   40 o  285.300   43.945   2.5589   0.6057   3.0529   0.7323   1.4891   1.0777  339.387   41.967  231.212   77.224 108.1745 87.89050 
1 1 1   17   17   42 o  221.288   40.970   1.1609   0.3911   1.0061   0.4331   1.8462   0.9112  190.448   44.952  252.128   68.508 -61.67938 81.93922 
1 1 1   17   17   44 o  215.318   43.138   1.0238   0.3835   0.8752   0.4144   1.9099   1.0119  177.127   45.322  253.509   73.413 -76.38187 86.27587 
1 1 1   17   17   46 o  335.395   71.838   3.3770   1.2014   3.3770   1.2014   0.0000   0.0000  335.395   71.838  ?   ?       ?      ? 
1 1 1   17   17   48 o  283.707   44.147   2.6993   0.5386   2.9583   0.6048   1.7068   1.1840  332.736   35.356  234.679   80.906 98.05711 88.29380 
1 1 1   17   17   50 o  378.079   44.658   3.8825   0.7743   3.3633   0.9059   5.2908   1.4919  345.141   51.050  411.016   73.290 -65.87488 89.31667 
1 1 1   17   17   52 o  296.128   43.951   2.3872   0.5403   2.1737   0.6008   3.2910   1.2359  279.807   41.762  312.450   77.347 -32.64285 87.90106 
1 1 1   17   18    1 o  885.010   30.744   20.207   1.3984   19.496   1.9622   20.941   1.9934  869.161   43.912  900.859   43.040 -31.69824 61.48767 
1 1 1   17   18    3 o  2442.99   28.144  153.474   3.4749  151.522   4.5039  156.345   5.4619  2424.55   36.132  2461.42   43.160 -36.87036 56.28796 
1 1 1   17   18    5 o  1576.70   28.638   64.112   2.2836   64.043   2.9728   64.210   3.5668  1576.16   36.685  1577.25   43.986 -1.086426 57.27597 
1 1 1   17   18    7 f  992.941   41.957   25.858   1.7009   26.072   1.9019   25.005   3.8010  1005.62   36.787  980.266   75.420 25.35016 83.91383 
1 1 1   17   18    9 o  282.573   42.207   2.1095   0.5664   2.1044   1.0112   2.1119   0.6837  279.210   70.446  285.937   46.507 -6.727539 84.41308 
1 1 1   17   18   11 o  1708.30   42.524   77.144   3.1992   78.617   3.6950   72.733   6.3940  1745.33   41.178  1671.26   74.415 74.07288 85.04838 
1 1 1   17   18   13 o  2393.52   40.748  147.289   4.3492  146.091   5.0183  150.903   8.7176  2378.96   41.030  2408.09   70.413 -29.13232 81.49533 
1 1 1   17   18   15 o  1460.76   42.605   57.796   2.7087   60.159   3.1311   50.770   5.3999  1526.58   39.894  1394.94   75.294 131.6379 85.20995 
1 1 1   17   18   17 o  678.270   45.607   12.077   1.5465   12.453   1.9873   11.500   2.4624  692.810   55.794  663.729   72.160 29.08087 91.21410 
1 1 1   17   18   19 o  178.121   57.792   0.7980   0.6051   0.7980   0.6051   0.0000   0.0000  178.121   57.792  ?   ?       ?      ? 
1 1 1   17   18   21 o  1014.09   43.674   26.567   2.2545   25.127   2.9551   28.573   3.4872  982.260   58.516  1045.91   64.850 -63.65265 87.34789 
1 1 1   17   18   23 o  839.928   44.362   20.700   1.5915   23.214   1.8747   14.214   3.0117  947.032   38.503  732.823   79.935 214.2097 88.72487 
1 1 1   17   18   25 o  914.360   57.674   21.890   2.7112   21.890   2.7112   0.0000   0.0000  914.360   57.674  ?   ?       ?      ? 
1 1 1   17   18   27 o  896.000   33.427   20.789   1.5398   20.789   1.5398   0.0000   0.0000  896.000   33.427  ?   ?       ?      ? 
1 1 1   17   18   29 o  510.266   34.146   6.7539   0.8958   6.7539   0.8958   0.0000   0.0000  510.266   34.146  ?   ?       ?      ? 
1 1 1   17   18   31 o  636.598   34.393   10.531   1.1257   10.531   1.1257   0.0000   0.0000  636.598   34.393  ?   ?       ?      ? 
1 1 1   17   18   33 o  797.597   42.566   18.652   1.5139   21.155   1.8296   13.217   2.6962  899.484   39.562  695.710   75.380 203.7740 85.13137 
1 1 1   17   18   35 o  269.522   37.055   1.9005   0.5135   1.9005   0.5135   0.0000   0.0000  269.522   37.055  ?   ?       ?      ? 
1 1 1   17   18   37 o  292.171   42.541   2.9721   0.5464   3.5305   0.6257   1.1782   1.1215  367.569   33.111  216.773   78.375 150.7961 85.08203 
1 1 1   17   18   39 o  177.041   38.831   0.8646   0.3470   0.9245   0.3843   0.6004   0.8073  183.448   41.697  170.633   65.520 12.81453 77.66237 
1 1 1   17   18   41 o  533.563   40.324   8.2941   0.8906   8.7504   1.0179   6.8047   1.8392  576.979   34.315  490.148   72.983 86.83035 80.64801 
1 1 1   17   18   43 o  167.336   36.088   0.5572   0.2966   0.3684   0.3333   1.2764   0.6505  123.057   42.898  211.614   58.045 -88.55756 72.17635 
1 1 1   17   18   45 o  412.491   44.780   4.5971   0.9497   4.5971   0.9497   0.0000   0.0000  412.491   44.780  ?   ?       ?      ? 
1 1 1   17   18   47 o  629.178   37.957   10.609   1.0359   10.225   1.1770   11.930   2.1814  618.059   37.041  640.298   66.265 -22.23859 75.91498 
1 1 1   17   18   49 o  238.464   43.959   1.8021   0.5241   1.9555   0.6183   1.4105   0.9878  262.207   47.617  214.720   73.906 47.48685 87.91790 
1 1 1   17   18   51 o  256.372   41.431   2.4518   0.6127   3.3049   0.7272   0.3649   1.1374  346.296   40.847  166.447   72.094 179.8490 82.86162 
1 1 1   17   19    0 o  1242.91   45.437   40.143   2.7775   39.980   3.4844   40.426   4.6000  1241.50   54.833  1244.32   72.466 -0.000000 0.000000 
1 1 1   17   19    2 o  2276.56   28.493  133.863   3.2821  134.662   4.2852  132.730   5.1050  2285.50   36.468  2267.62   43.788 17.88086 56.98562 
1 1 1   17   19    4 o  1572.68   26.244   63.757   2.1217   62.299   2.9783   65.260   3.0232  1554.41   37.268  1590.95   36.960 -36.54285 52.48766 
1 1 1   17   19    6 o  1360.65   40.982   47.451   2.3436   47.089   2.6363   48.815   5.1172  1351.28   37.947  1370.01   72.650 -18.72913 81.96365 
1 1 1   17   19    8 o  2548.65   40.487  170.297   4.8704  162.953   8.7556  173.587   5.8609  2504.46   67.999  2592.84   43.966 -88.38232 80.97478 
1 1 1   17   19   10 o  1617.59   30.526   67.543   2.5346   67.162   3.4823   67.972   3.6962  1612.94   41.993  1622.24   44.317 -9.306641 61.05244 
1 1 1   17   19   12 o  692.609   30.860   12.454   1.0927   13.192   1.4982   11.615   1.5972  714.860   40.763  670.358   46.343 44.50256 61.71944 
1 1 1   17   19   14 o  1147.57   30.234   33.960   1.7795   33.195   2.4225   34.856   2.6225  1133.71   41.562  1161.43   43.919 -27.71631 60.46734 
1 1 1   17   19   16 o  1546.61   55.998   62.069   4.4527   62.069   4.4527   0.0000   0.0000  1546.61   55.998  ?   ?       ?      ? 
1 1 1   17   19   18 o  1636.14   40.322   69.175   3.3918   69.175   3.3918   0.0000   0.0000  1636.14   40.322  ?   ?       ?      ? 
1 1 1   17   19   20 o  663.932   38.983   10.717   1.1737   9.9600   1.3488   13.081   2.3826  620.330   42.290  707.535   65.500 -87.20465 77.96582 
1 1 1   17   19   22 o  677.466   43.734   13.054   1.2799   14.176   1.4964   9.9960   2.4701  739.958   39.335  614.975   78.124 124.9828 87.46785 
1 1 1   17   19   24 o  359.898   47.704   3.4599   0.8436   3.0794   1.1094   3.9815   1.2990  336.506   66.483  383.291   68.432 -46.78534 95.40882 
1 1 1   17   19   26 o  584.748   45.615   9.0889   1.3560   9.5294   1.8167   8.5347   2.0375  602.182   58.679  567.314   69.856 34.86877 91.23085 
1 1 1   17   19   28 o  1204.78   38.634   38.558   2.1517   39.101   2.5508   37.217   4.0060  1225.70   40.479  1183.86   65.817 41.83057 77.26891 
1 1 1   17   19   30 o  991.073   58.322   26.023   2.9717   26.023   2.9717   0.0000   0.0000  991.073   58.322  ?   ?       ?      ? 
1 1 1   17   19   32 o  1083.03   41.596   30.708   2.3161   30.708   2.3161   0.0000   0.0000  1083.03   41.596  ?   ?       ?      ? 
1 1 1   17   19   34 o  709.068   34.663   13.119   1.2636   13.119   1.2636   0.0000   0.0000  709.068   34.663  ?   ?       ?      ? 
1 1 1   17   19   36 o  249.351   43.789   1.8098   0.5307   1.9391   0.6313   1.4980   0.9802  266.556   47.819  232.146   73.371 34.41025 87.57822 
1 1 1   17   19   38 o  539.478   40.192   8.3370   0.9004   8.7226   1.0268   7.0540   1.8730  576.755   34.628  502.201   72.543 74.55481 80.38416 
1 1 1   17   19   40 o  280.530   44.141   2.4236   0.6035   2.8262   0.7324   1.5719   1.0653  325.823   43.723  235.237   76.695 90.58607 88.28271 
1 1 1   17   19   42 o  234.615   41.598   1.3713   0.4098   1.2522   0.4516   1.9270   0.9754  213.212   42.690  256.020   71.409 -42.80791 83.19632 
1 1 1   17   19   44 o  241.633   45.384   1.7950   0.5606   1.9950   0.6691   1.3239   1.0271  266.640   50.660  216.625   75.315 50.01469 90.76822 
1 1 1   17   19   46 o  307.220   47.159   3.1974   0.7032   3.8567   0.8446   1.7073   1.2698  377.193   43.553  237.247   83.659 139.9461 94.31734 
1 1 1   17   19   48 o  452.533   50.049   6.8606   0.8541   7.4105   0.9685   4.9367   1.8115  525.546   35.845  379.519   93.460 146.0274 100.0976 
1 1 1   17   19   50 o  186.297   43.796   1.0494   0.4646   1.1412   0.5270   0.7288   0.9845  196.689   51.506  175.905   70.848 20.78348 87.59159 
1 1 1   17   20    1 o  374.277   44.408   3.5587   0.7303   3.9905   1.4608   3.4148   0.8433  384.914   76.511  363.641   45.105 21.27295 88.81691 
1 1 1   17   20    3 o  957.703   28.633   23.645   1.3913   23.538   1.8239   23.793   2.1517  955.404   37.131  960.002   43.596 -4.597839 57.26582 
1 1 1   17   20    5 o  1283.52   26.933   42.556   1.7746   40.548   2.5368   44.481   2.4834  1253.68   39.357  1313.36   36.778 -59.68701 53.86662 
1 1 1   17   20    7 o  516.222   33.994   6.9363   0.8939   6.4676   1.3303   7.3220   1.2070  499.988   51.753  532.456   44.093 -32.46762 67.98899 
1 1 1   17   20    9 o  1226.23   30.952   38.804   1.9505   37.493   2.7136   40.205   2.8054  1204.82   43.808  1247.64   43.736 -42.82776 61.90343 
1 1 1   17   20   11 o  530.152   31.459   7.3047   0.8524   7.9251   1.1799   6.6274   1.2327  554.016   41.425  506.287   47.358 47.72952 62.91888 
1 1 1   17   20   13 o  2037.71   35.506  107.046   3.6331  109.563   5.8275  105.446   4.6466  2055.76   55.137  2019.67   44.749 36.08569 71.01112 
1 1 1   17   20   15 o  1172.60   39.967   35.693   2.4092   35.884   3.3858   35.497   3.4288  1175.89   56.005  1169.32   57.034 6.568726 79.93440 
1 1 1   17   20   17 o  729.341   35.230   13.776   1.2507   13.755   1.5384   13.818   2.1478  729.461   41.020  729.222   57.288 0.2381592 70.45970 
1 1 1   17   20   19 o  918.330   47.340   22.763   2.1524   25.616   2.8149   18.747   3.3399  992.369   55.172  844.291   76.942 148.0780 94.67900 
1 1 1   17   20   21 o  628.233   38.476   9.7511   1.1053   9.1679   1.2789   11.473   2.1974  594.786   41.822  661.680   64.594 -66.89459 76.95117 
1 1 1   17   20   23 o  851.692   39.971   18.824   1.5391   18.659   1.7895   19.293   3.0168  848.049   41.042  855.335   68.602 -7.286682 79.94204 
1 1 1   17   20   25 o  1315.62   39.728   46.128   2.3738   47.018   2.7878   43.780   4.5268  1345.43   40.302  1285.82   68.477 59.60742 79.45636 
1 1 1   17   20   27 o  1403.23   39.381   52.808   2.5335   54.144   2.9974   49.467   4.7406  1442.47   40.418  1363.98   67.601 78.49158 78.76206 
1 1 1   17   20   29 o  696.061   65.236   12.923   2.3346   0.0000   0.0000   12.923   2.3346  ?   ?   696.061   65.236      ?      ? 
1 1 1   17   20   31 o  355.177   47.398   3.9769   0.7340   4.6201   0.8692   2.3790   1.3701  420.417   40.214  289.937   85.843 130.4807 94.79550 
1 1 1   17   20   33 o  336.083   45.601   2.9775   0.7879   2.9775   0.7879   0.0000   0.0000  336.083   45.601  ?   ?       ?      ? 
1 1 1   17   20   35 o  433.130   35.016   4.9069   0.7797   4.9069   0.7797   0.0000   0.0000  433.130   35.016  ?   ?       ?      ? 
1 1 1   17   20   37 o  469.929   35.109   5.7911   0.8482   5.7911   0.8482   0.0000   0.0000  469.929   35.109  ?   ?       ?      ? 
1 1 1   17   20   39 o  232.051   38.389   1.4214   0.4580   1.4214   0.4580   0.0000   0.0000  232.051   38.389  ?   ?       ?      ? 
1 1 1   17   20   41 o  466.564   51.049   7.6824   0.8828   8.8853   1.0143   3.9237   1.7929  581.122   33.949  352.007   96.289 229.1143 102.0984 
1 1 1   17   20   43 o  304.123   45.625   2.6431   0.6250   2.6349   0.7257   2.6669   1.2301  312.755   45.129  295.492   79.309 17.26331 91.25016 
1 1 1   17   20   45 o  975.418   35.463   25.306   1.7784   25.306   1.7784   0.0000   0.0000  975.418   35.463  ?   ?       ?      ? 
1 1 1   17   20   47 o  221.236   46.207   1.4595   0.5231   1.4749   0.6065   1.4150   1.0341  225.359   53.198  217.114   75.568 8.245438 92.41486 
1 1 1   17   20   49 o  154.500   64.757   0.3649   0.8658   0.0000   0.0000   0.3649   0.8658  ?   ?   154.500   64.757      ?      ? 
1 1 1   17   21    0 o  140.893   49.520   0.7519   0.4248   0.8119   0.4992   0.5946   0.8084  148.660   63.800  133.126   75.752 -0.000000 0.000000 
1 1 1   17   21    2 o  346.592   29.130   3.0230   0.5110   2.4000   0.6698   3.8907   0.7905  304.878   42.735  388.306   39.597 -83.42838 58.25982 
1 1 1   17   21    4 o  1015.64   29.020   26.453   1.5061   25.163   2.0035   28.131   2.2838  987.495   39.464  1043.78   42.558 -56.28839 58.03910 
1 1 1   17   21    6 o  1074.12   43.141   28.950   2.2232   27.328   2.6646   32.665   4.0330  1027.82   50.426  1120.43   70.013 -92.61157 86.28152 
1 1 1   17   21    8 o  946.016   29.224   22.916   1.4055   21.907   1.8379   24.338   2.1814  921.374   38.799  970.657   43.712 -49.28375 58.44717 
1 1 1   17   21   10 o  945.337   36.710   23.364   1.7229   22.243   2.7934   24.052   2.1887  925.923   58.681  964.752   44.127 -38.82886 73.42086 
1 1 1   17   21   12 o  1018.41   39.871   26.915   2.0871   27.565   2.9478   26.262   2.9553  1030.86   55.620  1005.95   57.142 24.91315 79.74220 
1 1 1   17   21   14 o  1472.62   35.605   56.964   2.5499   58.709   3.1609   53.710   4.3151  1507.35   40.787  1437.89   58.371 69.46936 71.20909 
1 1 1   17   21   16 o  675.589   30.495   11.776   1.0564   11.397   1.4340   12.224   1.5622  663.867   42.013  687.311   44.211 -23.44373 60.98939 
1 1 1   17   21   18 o  1531.09   45.484   60.431   3.5344   56.414   4.5852   66.312   5.5483  1470.64   60.643  1591.55   67.806 -120.9152 90.96881 
1 1 1   17   21   20 o  404.206   33.572   4.4198   0.6666   5.5776   0.9116   3.0893   0.9772  464.211   38.196  344.201   55.222 120.0098 67.14475 
1 1 1   17   21   22 o  582.916   30.367   8.7465   0.9059   7.7899   1.2201   9.9218   1.3524  547.653   43.333  618.180   42.553 -70.52643 60.73301 
1 1 1   17   21   24 o  607.723   43.183   10.258   1.1547   10.853   1.3498   8.6353   2.2300  646.355   40.618  569.091   76.219 77.26385 86.36607 
1 1 1   17   21   26 o  942.871   39.868   23.675   1.7137   24.024   2.0150   22.763   3.2581  960.782   40.793  924.959   68.512 35.82312 79.73679 
1 1 1   17   21   28 o  927.949   43.052   24.784   1.7577   27.195   2.0822   18.806   3.2787  1021.57   39.644  834.333   76.435 187.2314 86.10461 
1 1 1   17   21   30 o  966.684   65.575   25.079   3.2591   0.0000   0.0000   25.079   3.2591  ?   ?   966.684   65.575      ?      ? 
1 1 1   17   21   32 f  489.988   42.678   6.3065   1.0751   6.3065   1.0751   0.0000   0.0000  489.988   42.678  ?   ?       ?      ? 
1 1 1   17   21   34 o  331.180   46.822   3.2807   0.6901   3.5679   0.8102   2.5214   1.3170  367.874   42.835  294.486   83.274 73.38834 93.64499 
1 1 1   17   21   36 o  437.600   50.014   5.2937   1.0593   3.5026   1.4104   7.6123   1.6046  345.530   80.831  529.671   58.925 -184.1417 100.0288 
1 1 1   17   21   38 o  209.312   52.130   1.2252   0.5589   1.2252   0.5589   0.0000   0.0000  209.312   52.130  ?   ?       ?      ? 
1 1 1   17   21   40 o  759.375   43.207   15.374   1.6869   15.374   1.6869   0.0000   0.0000  759.375   43.207  ?   ?       ?      ? 
1 1 1   17   21   42 o  222.658   41.506   1.3622   0.4577   1.3622   0.4577   0.0000   0.0000  222.658   41.506  ?   ?       ?      ? 
1 1 1   17   21   44 o  344.733   46.396   3.2297   0.8223   3.2297   0.8223   0.0000   0.0000  344.733   46.396  ?   ?       ?      ? 
1 1 1   17   21   46 o  682.581   45.734   14.455   1.3951   16.034   1.6866   11.036   2.4827  768.169   42.705  596.992   80.887 171.1771 91.46819 
1 1 1   17   21   48 o  184.291   36.209   1.1399   0.3703   1.3609   0.4047   0.0000   0.9190  225.042   34.974  143.540   63.412 81.50166 72.41739 
1 1 1   17   21   50 o  381.427   42.419   4.0773   0.6584   3.8624   0.7385   4.9102   1.4539  375.529   38.251  387.325   75.725 -11.79657 84.83756 
1 1 1   17   22    1 o  748.730   38.531   14.533   1.4803   13.455   2.0881   15.624   2.0990  720.574   56.365  776.886   52.550 -56.31256 77.06219 
1 1 1   17   22    3 o  827.208   35.779   17.790   1.4897   18.138   1.9306   17.276   2.3419  837.857   44.819  816.558   55.785 21.29950 71.55897 
1 1 1   17   22    5 o  1993.30   49.382  102.936   5.0428   97.892   6.7950  109.120   7.5239  1939.80   68.134  2046.80   71.499 -107.0006 98.76356 
1 1 1   17   22    7 o  702.709   32.977   12.798   1.1870   12.373   1.7376   13.169   1.6254  691.567   48.872  713.850   44.287 -22.28290 65.95318 
1 1 1   17   22    9 o  620.468   41.673   10.050   1.3212   9.3104   1.9305   10.702   1.8121  598.467   62.743  642.470   54.861 -44.00342 83.34517 
1 1 1   17   22   11 o  951.526   34.981   23.115   1.6600   22.143   2.0865   24.790   2.7399  925.419   43.854  977.632   54.511 -52.21338 69.96198 
1 1 1   17   22   13 o  332.200   32.339   2.8557   0.5521   2.8540   0.7708   2.8574   0.7913  332.128   45.141  332.272   46.321 -0.1436768 64.67849 
1 1 1   17   22   15 o  1183.18   30.389   36.175   1.8435   35.589   2.5074   36.864   2.7198  1173.02   41.577  1193.35   44.331 -20.32678 60.77722 
1 1 1   17   22   17 o  915.454   44.372   23.086   1.7418   24.196   2.0060   19.684   3.5109  966.931   40.353  863.978   79.040 102.9531 88.74496 
1 1 1   17   22   19 o  1089.54   30.241   30.754   1.6878   30.433   2.2858   31.139   2.5028  1083.68   41.027  1095.41   44.440 -11.73108 60.48215 
1 1 1   17   22   21 o  1240.47   30.153   39.894   1.9154   39.265   2.5865   40.659   2.8500  1230.15   40.897  1250.79   44.319 -20.64111 60.30560 
1 1 1   17   22   23 o  879.401   30.460   20.119   1.3710   20.133   1.8544   20.101   2.0362  880.243   40.975  878.559   45.081 1.684570 60.92001 
1 1 1   17   22   25 o  526.762   40.565   7.1296   0.9657   6.9388   1.1182   7.6892   1.9154  516.142   42.140  537.382   69.327 -21.23975 81.12926 
1 1 1   17   22   27 o  199.565   43.293   0.8443   0.4262   0.6319   0.4824   1.5992   0.9096  157.746   51.621  241.385   69.516 -83.63866 86.58662 
1 1 1   17   22   29 f  385.817   76.170   4.1701   1.4573   0.0000   0.0000   4.1701   1.4573  ?   ?   385.817   76.170      ?      ? 
1 1 1   17   22   31 o  752.906   42.148   14.878   1.6315   14.878   1.6315   0.0000   0.0000  752.906   42.148  ?   ?       ?      ? 
1 1 1   17   22   33 o  983.546   43.517   28.197   1.9001   30.981   2.2656   21.595   3.4890  1085.62   40.590  881.467   76.989 204.1581 87.03385 
1 1 1   17   22   35 o  253.841   46.489   1.8654   0.5704   1.9476   0.6662   1.6395   1.1041  266.012   50.563  241.671   78.028 24.34196 92.97823 
1 1 1   17   22   37 o  249.943   45.398   1.8004   0.5394   1.8522   0.6250   1.6490   1.0682  259.319   48.664  240.567   76.653 18.75127 90.79575 
1 1 1   17   22   39 o  457.143   46.478   5.8631   1.0821   6.2591   1.4728   5.3985   1.5952  476.965   60.059  437.321   70.950 39.64407 92.95681 
1 1 1   17   22   41 o  152.386   54.334   0.5689   0.5370   0.5689   0.5370   0.0000   0.0000  152.386   54.334  ?   ?       ?      ? 
1 1 1   17   22   43 o  424.250   44.594   4.8634   0.9727   4.8634   0.9727   0.0000   0.0000  424.250   44.594  ?   ?       ?      ? 
1 1 1   17   22   45 o  259.657   51.111   1.9209   0.6580   1.9209   0.6580   0.0000   0.0000  259.657   51.111  ?   ?       ?      ? 
1 1 1   17   22   47 o  168.943   43.317   0.6023   0.3497   0.5331   0.3729   1.1075   1.0070  139.846   45.363  198.040   73.809 -58.19438 86.63451 
1 1 1   17   22   49 o  156.434   40.333   0.4652   0.3439   0.3163   0.3799   1.1395   0.8085  119.159   45.140  193.708   66.853 -74.54900 80.66558 
1 1 1   17   23    0 o  140.561   63.933   0.7408   0.5004   0.0000   0.0000   0.7408   0.5004  140.561   63.933  140.561   63.933 0.000000 0.000000 
1 1 1   17   23    2 o  750.751   44.352   14.567   1.7119   14.567   1.7119   0.0000   0.0000  750.751   44.352  ?   ?       ?      ? 
1 1 1   17   23    4 o  736.016   63.607   14.083   2.4069   14.083   2.4069   0.0000   0.0000  736.016   63.607  ?   ?       ?      ? 
1 1 1   17   23    6 o  174.245   35.664   0.7962   0.3400   0.9419   0.4899   0.6607   0.4724  187.479   49.929  161.011   50.939 26.46806 71.32851 
1 1 1   17   23    8 o  530.305   33.937   7.1364   0.8794   6.8384   1.0762   7.7352   1.5254  514.488   40.685  546.123   54.329 -31.63544 67.87457 
1 1 1   17   23   10 o  551.042   32.144   7.8614   0.9067   6.9386   1.2671   8.8299   1.2981  517.706   47.604  584.379   43.206 -66.67322 64.28760 
1 1 1   17   23   12 o  1163.83   31.112   35.018   1.8602   34.414   2.5722   35.681   2.6935  1153.42   43.376  1174.25   44.615 -20.83423 62.22498 
1 1 1   17   23   14 o  1167.21   30.641   35.166   1.8358   33.431   2.5105   37.160   2.6913  1136.43   42.968  1198.00   43.696 -61.56384 61.28248 
1 1 1   17   23   16 o  1085.15   41.243   30.158   1.9964   29.605   2.2992   31.851   4.0249  1069.13   41.829  1101.18   71.094 -32.04858 82.48634 
1 1 1   17   23   18 o  555.073   38.207   7.9884   1.0478   8.2051   1.7515   7.8677   1.3075  559.834   60.854  550.312   46.214 9.521790 76.41357 
1 1 1   17   23   20 o  1249.88   30.112   40.409   1.9295   38.478   2.6121   42.727   2.8626  1217.41   41.734  1282.35   43.419 -64.94055 60.22408 
1 1 1   17   23   22 o  469.328   31.008   5.6763   0.7444   5.0455   0.9987   6.4649   1.1167  440.243   44.125  498.414   43.578 -58.17087 62.01633 
1 1 1   17   23   24 o  1037.52   30.187   27.893   1.6056   25.896   2.1743   30.289   2.3812  996.990   42.419  1078.05   42.962 -81.06128 60.37463 
1 1 1   17   23   26 o  418.823   31.487   4.6124   0.6725   4.8354   0.9098   4.3438   0.9986  430.569   41.097  407.078   47.715 23.49088 62.97379 
1 1 1   17   23   28 o  494.907   60.774   6.5301   1.5464   6.5301   1.5464   0.0000   0.0000  494.907   60.774  ?   ?       ?      ? 
1 1 1   17   23   30 o  859.229   41.908   19.368   1.8513   19.368   1.8513   0.0000   0.0000  859.229   41.908  ?   ?       ?      ? 
1 1 1   17   23   32 o  1155.60   42.659   38.035   2.2087   40.712   2.6203   31.468   4.1049  1244.44   40.956  1066.76   74.846 177.6730 85.31865 
1 1 1   17   23   34 f  580.856   42.565   9.4800   1.1277   9.9370   1.3424   8.3841   2.0788  613.201   42.581  548.511   73.715 64.68976 85.12924 
1 1 1   17   23   36 o  355.747   44.776   3.5770   0.7234   3.6482   0.8641   3.4102   1.3228  370.159   45.408  341.336   77.186 28.82358 89.55181 
1 1 1   17   23   38 o  268.141   43.607   1.9171   0.5421   1.7332   0.6371   2.3994   1.0317  249.350   51.408  286.931   70.453 -37.58121 87.21443 
1 1 1   17   23   40 o  333.066   52.892   3.2709   0.8786   3.0878   1.1712   3.5066   1.3288  323.650   72.219  342.483   77.297 -18.83386 105.7847 
1 1 1   17   23   42 o  375.427   45.120   3.8073   0.8709   3.8073   0.8709   0.0000   0.0000  375.427   45.120  ?   ?       ?      ? 
1 1 1   17   23   44 o  230.993   44.657   1.6943   0.5300   1.8943   0.6130   1.1018   1.0550  259.621   47.680  202.364   75.522 57.25681 89.31372 
1 1 1   17   23   46 o  226.062   42.205   1.4310   0.4725   1.4310   0.4725   0.0000   0.0000  226.062   42.205  ?   ?       ?      ? 
1 1 1   17   23   48 o  403.492   47.221   4.5666   0.9796   4.5666   0.9796   0.0000   0.0000  403.492   47.221  ?   ?       ?      ? 
1 1 1   17   24    1 o  419.238   46.377   4.6732   0.8449   4.6977   0.9815   4.6029   1.6603  426.211   44.794  412.266   81.220 13.94513 92.75323 
1 1 1   17   24    3 o  1804.91   31.800   84.392   2.9447   81.655   4.2614   86.893   4.0738  1776.44   46.658  1833.38   43.219 -56.94263 63.59952 
1 1 1   17   24    5 o  1010.05   29.756   26.367   1.5371   26.354   2.0704   26.383   2.2944  1010.05   39.870  1010.05   44.184 -0.6103516E-04 59.51290 
1 1 1   17   24    7 f  2782.46   32.761  200.644   4.6684  196.935   6.8766  203.815   6.3580  2757.68   48.502  2807.24   44.052 -49.55688 65.52138 
1 1 1   17   24    9 o  1393.92   32.245   50.293   2.3094   50.159   3.3221   50.418   3.2127  1391.96   46.421  1395.88   44.766 -3.922363 64.48988 
1 1 1   17   24   11 o  814.817   31.942   17.223   1.3280   14.593   1.8527   20.002   1.9044  750.337   48.027  879.296   42.126 -128.9591 63.88414 
1 1 1   17   24   13 o  809.067   31.399   16.973   1.3042   17.234   1.8058   16.689   1.8858  815.757   43.056  802.376   45.713 13.38141 62.79726 
1 1 1   17   24   15 o  495.449   31.478   6.3445   0.7998   6.0649   1.0856   6.6765   1.1829  483.636   43.659  507.263   45.359 -23.62650 62.95642 
1 1 1   17   24   17 o  926.144   50.997   23.663   2.3071   27.444   3.0076   18.258   3.5963  1024.66   57.092  827.629   84.518 197.0316 101.9940 
1 1 1   17   24   19 o  640.319   31.227   10.709   1.0217   11.201   1.3906   10.132   1.5059  656.838   41.179  623.800   46.956 33.03699 62.45483 
1 1 1   17   24   21 o  909.264   38.333   22.294   1.6985   19.497   2.7930   23.936   2.1395  859.552   63.201  958.977   43.395 -99.42505 76.66512 
1 1 1   17   24   23 o  529.472   31.877   7.4063   0.8566   8.1653   1.1652   6.5137   1.2635  560.131   40.461  498.813   49.269 61.31787 63.75319 
1 1 1   17   24   25 o  807.096   30.744   16.906   1.2710   15.699   1.7101   18.397   1.8998  775.285   42.903  838.907   44.048 -63.62268 61.48869 
1 1 1   17   24   27 o  714.521   60.002   13.599   2.2042   13.599   2.2042   0.0000   0.0000  714.521   60.002  ?   ?       ?      ? 
1 1 1   17   24   29 o  263.566   45.435   1.9250   0.6245   2.6085   0.9069   1.3085   0.8612  307.595   59.496  219.538   68.684 88.05692 90.86948 
1 1 1   17   24   31 o  297.481   46.349   2.7484   0.6387   3.1203   0.7468   1.7349   1.2328  344.320   42.184  250.642   82.545 93.67799 92.69885 
1 1 1   17   24   33 o  251.024   47.003   1.5603   0.5602   1.2670   0.6495   2.4119   1.1067  213.000   57.826  289.049   74.117 -76.04967 94.00565 
1 1 1   17   24   35 o  817.305   49.387   21.266   1.6925   24.904   2.0277   12.908   3.0733  970.638   40.633  663.973   90.030 306.6651 98.77432 
1 1 1   17   24   37 o  822.147   40.906   18.614   1.5681   18.841   1.8736   18.083   2.8653  841.326   43.315  802.968   69.406 38.35828 81.81287 
1 1 1   17   24   39 o  654.515   64.324   11.977   2.1645   11.977   2.1645   0.0000   0.0000  654.515   64.324  ?   ?       ?      ? 
1 1 1   17   24   41 o  375.501   46.612   3.8162   0.8999   3.8162   0.8999   0.0000   0.0000  375.501   46.612  ?   ?       ?      ? 
1 1 1   17   24   43 o  314.337   43.285   2.7750   0.5514   2.7240   0.6155   2.9823   1.2411  319.224   37.506  309.451   78.025 9.772736 86.57076 
1 1 1   17   24   45 o  403.415   54.976   5.1789   1.0980   5.9931   1.4851   4.1974   1.6307  453.244   63.733  353.585   89.596 99.65881 109.9515 
1 1 1   17   24   47 o  193.872   44.713   0.9593   0.4455   0.7869   0.5051   1.5633   0.9455  165.588   52.703  222.156   72.246 -56.56813 89.42624 
1 1 1   17   25    0 o  1100.81   74.880   31.851   4.1929   0.0000   0.0000   31.851   4.1929  1100.81   74.880  1100.81   74.880 -0.000000 0.000000 
1 1 1   17   25    2 o  1115.04   42.781   32.547   2.1686   31.865   4.1698   32.799   2.5390  1103.95   73.468  1126.13   43.854 -22.18079 85.56133 
1 1 1   17   25    4 o  941.706   34.046   23.089   1.6269   22.155   2.4818   23.793   2.1544  924.298   52.227  959.114   43.690 -34.81610 68.09159 
1 1 1   17   25    6 o  828.828   31.497   17.817   1.2938   17.625   2.1285   17.930   1.6294  824.529   50.211  833.128   38.040 -8.599060 62.99354 
1 1 1   17   25    8 o  600.709   30.665   9.2983   0.9426   8.9461   1.2632   9.7408   1.4158  588.075   41.781  613.344   44.898 -25.26953 61.33096 
1 1 1   17   25   10 f  422.940   33.393   4.6521   0.7237   4.2598   1.0310   5.0329   1.0159  405.136   49.500  440.744   44.834 -35.60822 66.78546 
1 1 1   17   25   12 f  911.181   31.858   21.529   1.4923   21.463   2.0951   21.597   2.1262  909.805   44.790  912.556   45.318 -2.750793 63.71661 
1 1 1   17   25   14 o  551.142   31.924   7.8629   0.9021   7.0810   1.2432   8.7321   1.3109  522.152   46.312  580.132   43.951 -57.98083 63.84745 
1 1 1   17   25   16 o  876.413   48.352   19.734   2.1419   17.619   2.7401   23.056   3.4344  818.581   65.109  934.245   71.501 -115.6647 96.70385 
1 1 1   17   25   18 o  729.376   31.294   13.947   1.1633   14.998   1.5859   12.722   1.7115  760.045   40.586  698.706   47.644 61.33929 62.58725 
1 1 1   17   25   20 o  677.574   30.783   11.899   1.0694   11.229   1.4482   12.702   1.5859  656.840   42.885  698.309   44.174 -41.46875 61.56656 
1 1 1   17   25   22 o  689.267   31.339   12.468   1.1029   13.174   1.5030   11.644   1.6233  711.259   41.103  667.274   47.318 43.98541 62.67776 
1 1 1   17   25   24 o  560.301   31.726   8.2467   0.9073   8.5354   1.2257   7.8967   1.3496  571.862   41.688  548.740   47.837 23.12292 63.45299 
1 1 1   17   25   26 o  858.842   42.179   19.674   1.8559   17.778   2.6164   21.595   2.6331  815.707   62.388  901.977   56.780 -86.26929 84.35791 
1 1 1   17   25   28 o  490.170   48.241   6.5182   1.1971   6.5594   1.5681   6.4606   1.8534  494.320   61.703  486.019   74.172 8.300537 96.48221 
1 1 1   17   25   30 o  237.998   36.326   1.5609   0.4315   1.5725   0.6128   1.5494   0.6075  238.887   51.420  237.110   51.326 1.777512 72.65296 
1 1 1   17   25   32 f  602.617   43.543   9.9266   1.1672   9.9913   1.3544   9.7397   2.3011  614.926   42.840  590.308   75.820 24.61792 87.08628 
1 1 1   17   25   34 o  361.167   45.630   3.5078   0.7250   3.3617   0.8384   3.9413   1.4441  355.323   45.892  367.010   78.882 -11.68698 91.26012 
1 1 1   17   25   36 o  351.111   53.616   3.5848   0.9369   3.2538   1.2623   3.9908   1.3980  332.950   75.483  369.272   76.165 -36.32184 107.2327 
1 1 1   17   25   38 o  286.482   51.537   2.4873   0.8004   3.3679   1.0943   1.4744   1.1736  343.083   64.403  229.880   80.476 113.2033 103.0735 
1 1 1   17   25   40 o  309.155   72.311   2.8515   1.1289   2.8515   1.1289   0.0000   0.0000  309.155   72.311  ?   ?       ?      ? 
1 1 1   17   25   42 o  634.782   42.970   11.558   1.2738   11.820   1.5321   10.972   2.2922  659.736   45.171  609.828   73.111 49.90833 85.93948 
1 1 1   17   25   44 o  175.114   42.240   0.6926   0.3459   0.6174   0.3726   1.1616   0.9306  148.955   44.918  201.273   71.550 -52.31825 84.48030 
1 1 1   17   25   46 o  291.627   40.578   2.1766   0.5050   1.9165   0.5672   3.1707   1.1090  264.429   41.724  318.825   69.609 -54.39639 81.15649 
1 1 1   17   25   48 o  156.359   43.553   0.3329   0.4823   0.0000   0.5658   1.2175   0.9224  114.793   50.266  197.925   71.140 -83.13185 87.10660 
1 1 1   17   26    1 o  334.543   32.848   2.8990   0.5649   2.9104   0.8059   2.8880   0.7921  335.171   46.765  333.915   46.142 1.255829 65.69651 
1 1 1   17   26    3 o  278.738   33.816   2.0882   0.4643   2.3804   0.6297   1.7400   0.6873  303.402   40.370  254.074   54.263 49.32875 67.63245 
1 1 1   17   26    5 o  578.493   28.539   8.6751   0.8463   8.3539   1.2310   8.9629   1.1653  568.158   42.143  588.828   38.494 -20.67047 57.07729 
1 1 1   17   26    7 o  281.072   33.302   2.1553   0.4538   1.5178   0.6577   2.7346   0.6269  236.897   55.048  325.247   37.492 -88.34981 66.60305 
1 1 1   17   26    9 o  338.316   32.583   3.0163   0.5569   3.3257   0.7483   2.6320   0.8339  358.421   40.606  318.211   50.969 40.21030 65.16694 
1 1 1   17   26   11 o  1054.82   32.281   28.872   1.7504   29.318   2.5037   28.446   2.4480  1062.75   45.824  1046.90   45.481 15.84875 64.56276 
1 1 1   17   26   13 o  223.139   36.877   1.3529   0.4226   0.9454   0.5936   1.7718   0.6018  189.138   56.621  257.139   47.262 -68.00035 73.75450 
1 1 1   17   26   15 f  617.154   41.299   9.0436   1.1637   8.0769   1.3351   12.100   2.3741  557.108   46.611  677.201   68.189 -120.0935 82.59760 
1 1 1   17   26   17 o  885.457   31.071   20.357   1.4109   19.834   1.9185   20.973   2.0822  873.377   42.726  897.537   45.124 -24.15936 62.14243 
1 1 1   17   26   19 o  218.151   38.251   1.3068   0.4281   1.4505   0.5831   1.1387   0.6305  231.143   50.484  205.159   57.478 25.98405 76.50105 
1 1 1   17   26   21 o  658.751   31.346   11.385   1.0536   11.871   1.4247   10.798   1.5651  675.065   41.050  642.437   47.384 32.62769 62.69236 
1 1 1   17   26   23 o  1159.69   30.562   34.998   1.8164   33.321   2.4533   37.033   2.7023  1129.50   42.248  1189.89   44.173 -60.38708 61.12372 
1 1 1   17   26   25 o  692.059   42.706   12.775   1.5171   13.678   2.1591   11.894   2.1322  716.976   58.573  667.142   62.163 49.83374 85.41138 
1 1 1   17   26   27 o  169.959   42.681   0.6416   0.5075   1.0535   0.6504   0.0000   0.8117  197.100   59.326  142.819   61.377 54.28079 85.36275 
1 1 1   17   26   29 o  419.789   34.586   4.8313   0.7178   5.9737   0.9824   3.5232   1.0512  476.978   40.062  362.599   56.391 114.3798 69.17252 
1 1 1   17   26   31 o  544.788   32.318   7.8753   0.9019   7.9289   1.2275   7.8125   1.3296  547.553   43.602  542.023   47.714 5.529541 64.63580 
1 1 1   17   26   33 o  508.321   39.046   6.9423   0.9836   7.1463   1.6290   6.8252   1.2339  510.906   62.016  505.736   47.457 5.170258 78.09106 
1 1 1   17   26   35 o  233.734   45.451   1.4124   0.4908   1.2864   0.5553   1.8626   1.0496  214.516   51.082  252.952   75.192 -38.43573 90.90214 
1 1 1   17   26   37 o  579.701   49.884   10.474   1.2046   11.686   1.4322   7.5442   2.2270  662.297   42.061  497.104   90.469 165.1932 99.76827 
1 1 1   17   26   39 o  307.459   72.023   2.8131   1.1185   2.8131   1.1185   0.0000   0.0000  307.459   72.023  ?   ?       ?      ? 
1 1 1   17   26   41 f  316.983   48.527   2.7066   0.6778   2.4698   0.7708   3.5137   1.4232  299.995   49.977  333.971   83.198 -33.97592 97.05407 
1 1 1   17   26   43 f  208.603   42.673   1.3659   0.4924   1.6061   0.5856   0.7856   0.9101  237.217   49.609  179.990   69.446 57.22639 85.34560 
1 1 1   17   26   45 o  130.031   37.486   0.2975   0.3571   0.3779   0.4024   0.0000   0.7742  126.656   46.768  133.406   58.598 -6.750809 74.97290 
1 1 1   17   26   47 o  296.109   46.797   3.1716   0.6902   3.8030   0.8207   1.6460   1.2757  369.755   43.172  222.462   83.043 147.2925 93.59441 
1 1 1   17   27    0 o  1437.78   45.973   53.080   3.2902   50.475   4.1501   57.488   5.3985  1392.83   58.186  1482.73   71.192 -0.000000 0.000000 
1 1 1   17   27    2 o  350.261   36.555   3.3024   0.6267   2.6768   0.9219   3.8402   0.8546  315.503   59.000  385.018   43.174 -69.51456 73.10964 
1 1 1   17   27    4 o  349.078   31.355   3.1370   0.5607   2.8220   0.7595   3.5142   0.8312  329.926   44.776  368.229   43.906 -38.30334 62.71066 
1 1 1   17   27    6 o  626.611   28.955   10.261   0.9242   9.1250   1.3483   11.268   1.2692  593.219   44.209  660.004   37.404 -66.78503 57.90939 
1 1 1   17   27    8 o  585.521   31.145   8.8638   0.9345   8.5441   1.2630   9.2505   1.3892  574.043   42.795  597.000   45.261 -22.95636 62.28926 
1 1 1   17   27   10 o  847.475   30.372   18.561   1.3154   17.993   1.7547   19.289   1.9873  833.091   40.968  861.859   44.849 -28.76825 60.74401 
1 1 1   17   27   12 o  776.961   32.930   15.733   1.3034   18.518   1.8725   13.115   1.8155  844.449   43.129  709.473   49.773 134.9757 65.86002 
1 1 1   17   27   14 o  452.069   51.668   5.7354   0.9702   5.9424   1.1133   5.0820   1.9777  477.865   45.315  426.272   92.869 51.59268 103.3351 
1 1 1   17   27   16 o  748.031   39.272   14.697   1.4361   14.603   2.4352   14.747   1.7783  743.860   63.676  752.201   45.983 -8.341064 78.54301 
1 1 1   17   27   18 o  639.399   31.846   10.597   1.0426   9.3788   1.4176   12.033   1.5387  599.423   46.000  679.376   44.054 -79.95325 63.69261 
1 1 1   17   27   20 o  379.176   33.530   3.8068   0.6444   4.1024   0.8650   3.4383   0.9659  396.584   42.426  361.768   51.933 34.81622 67.05952 
1 1 1   17   27   22 o  745.705   36.668   14.144   1.3752   17.144   2.2491   12.353   1.7380  805.803   54.288  685.606   49.306 120.1972 73.33614 
1 1 1   17   27   24 o  802.673   42.317   17.242   1.7369   15.329   2.4659   19.126   2.4468  756.555   63.397  848.791   56.070 -92.23590 84.63468 
1 1 1   17   27   26 o  538.957   49.014   8.4364   1.0969   8.9220   1.2720   7.0281   2.1661  582.956   42.441  494.957   88.365 87.99911 98.02843 
1 1 1   17   27   28 o  295.637   34.481   2.3458   0.5130   2.2058   0.7143   2.4950   0.7372  284.195   50.747  307.079   46.696 -22.88376 68.96185 
1 1 1   17   27   30 o  817.770   31.205   17.644   1.3089   16.936   1.7795   18.478   1.9321  800.429   43.242  835.110   45.001 -34.68121 62.40971 
1 1 1   17   27   32 o  322.474   34.230   2.7655   0.5658   2.4897   0.7732   3.0834   0.8301  305.020   49.303  339.928   47.499 -34.90796 68.46090 
1 1 1   17   27   34 o  342.889   37.756   3.3125   0.6233   4.2534   0.8703   2.3220   0.8930  400.209   42.300  285.570   62.553 114.6381 75.51202 
1 1 1   17   27   36 o  193.664   43.592   1.0527   0.4551   1.1348   0.5179   0.7745   0.9533  201.187   50.224  186.141   71.264 15.04643 87.18389 
1 1 1   17   27   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   27   40 o  243.811   46.041   1.7829   0.5421   1.8446   0.6238   1.5927   1.0957  256.159   49.155  231.462   77.864 24.69678 92.08163 
1 1 1   17   27   42 o  190.417   42.600   0.8225   0.4110   0.5931   0.4663   1.6222   0.8705  149.446   50.791  231.388   68.406 -81.94214 85.20039 
1 1 1   17   27   44 o  219.652   46.942   1.3719   0.5027   1.2959   0.5657   1.6568   1.0956  210.468   52.468  228.836   77.854 -18.36832 93.88373 
1 1 1   17   27   46 o  151.545   38.665   0.6173   0.3640   0.6819   0.4188   0.4172   0.7365  154.409   47.828  148.681   60.764 5.727325 77.32904 
1 1 1   17   28    1 o  593.511   32.906   9.1705   1.0014   8.5438   1.4309   9.7723   1.4020  573.319   48.545  613.703   44.436 -40.38373 65.81139 
1 1 1   17   28    3 o  489.971   30.986   6.1811   0.7775   5.6716   1.0457   6.8112   1.1628  467.593   43.496  512.349   44.145 -44.75644 61.97297 
1 1 1   17   28    5 o  898.690   30.691   20.936   1.4145   20.683   1.9281   21.230   2.0814  893.090   41.992  904.291   44.770 -11.20062 61.38131 
1 1 1   17   28    7 o  598.564   29.043   9.3477   0.8878   8.6097   1.2979   9.9968   1.2172  575.860   43.838  621.267   38.107 -45.40692 58.08521 
1 1 1   17   28    9 o  1185.72   30.584   36.561   1.8536   36.970   2.4987   36.060   2.7641  1193.80   40.711  1177.65   45.652 16.15698 61.16782 
1 1 1   17   28   11 o  195.615   37.158   1.0131   0.3832   1.2615   0.5750   0.8148   0.5138  215.566   52.398  175.665   52.700 39.90027 74.31586 
1 1 1   17   28   13 o  1257.00   43.832   40.449   2.5295   39.082   2.9510   44.235   4.9111  1224.50   46.875  1289.50   74.078 -65.00305 87.66346 
1 1 1   17   28   15 o  621.010   43.166   10.899   1.2503   8.1594   2.1156   12.370   1.5499  552.891   74.427  689.128   43.747 -136.2370 86.33166 
1 1 1   17   28   17 o  764.991   31.999   15.277   1.2572   15.251   1.7384   15.305   1.8204  764.586   44.225  765.396   46.259 -0.8104858 63.99814 
1 1 1   17   28   19 o  911.041   31.538   21.721   1.4727   22.057   2.0150   21.335   2.1576  919.273   42.634  902.810   46.484 16.46295 63.07501 
1 1 1   17   28   21 o  835.854   38.868   18.869   1.5972   16.970   2.5971   20.024   2.0255  797.488   63.342  874.220   45.065 -76.73193 77.73697 
1 1 1   17   28   23 o  131.262   34.974   0.3377   0.3244   0.4430   0.4263   0.1929   0.5000  137.661   48.483  124.864   50.419 12.79699 69.94756 
1 1 1   17   28   25 o  864.235   31.807   19.852   1.3988   21.675   1.9109   17.749   2.0530  909.159   40.882  819.310   48.739 89.84845 63.61485 
1 1 1   17   28   27 o  382.206   45.202   4.2649   0.7960   3.2865   1.3326   4.8079   0.9926  337.827   78.259  426.585   45.259 -88.75824 90.40372 
1 1 1   17   28   29 o  367.992   33.426   3.6060   0.6310   3.7306   0.8742   3.4705   0.9117  375.125   45.328  360.859   49.139 14.26636 66.85258 
1 1 1   17   28   31 o  206.581   37.918   1.1868   0.4138   1.5100   0.5920   0.8783   0.5785  233.176   50.819  179.986   56.289 53.18922 75.83537 
1 1 1   17   28   33 f  202.983   39.139   1.1465   0.4186   1.0415   0.5639   1.2755   0.6246  193.181   54.443  212.785   56.245 -19.60431 78.27834 
1 1 1   17   28   35 o  310.902   34.359   2.6052   0.5489   2.6684   0.7711   2.5401   0.7816  315.016   47.608  306.788   49.555 8.228180 68.71831 
1 1 1   17   28   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   28   39 o  320.395   48.391   3.0752   0.6924   3.1501   0.8008   2.8535   1.3782  340.842   45.700  299.948   85.312 40.89352 96.78149 
1 1 1   17   28   41 o  200.863   43.190   1.1520   0.4644   1.1097   0.5635   1.2415   0.8202  195.908   54.142  205.818   67.305 -9.910355 86.37930 
1 1 1   17   28   43 o  420.765   54.452   6.4068   0.9623   7.3904   1.1288   3.7912   1.8407  520.078   42.215  321.451  100.389 198.6266 108.9043 
1 1 1   17   28   45 o  156.889   38.382   0.4265   0.3469   0.1645   0.3960   1.2898   0.7189  108.874   44.533  204.904   62.527 -96.02994 76.76463 
1 1 1   17   29    0 o  1550.96   47.636   63.099   3.6616   63.623   4.6472   62.240   5.9464  1563.01   58.012  1538.91   75.573 -0.000000 0.000000 
1 1 1   17   29    2 o  901.278   32.957   21.250   1.5179   19.190   2.1903   23.153   2.1054  858.312   49.636  944.243   43.369 -85.93073 65.91355 
1 1 1   17   29    4 o  1086.10   40.156   28.211   1.9380   25.874   2.1993   36.333   4.0996  998.210   42.854  1173.99   67.922 -175.7761 80.31115 
1 1 1   17   29    6 o  541.995   29.282   7.6438   0.8110   7.4466   1.2065   7.8063   1.0953  535.285   43.842  548.706   38.827 -13.42084 58.56335 
1 1 1   17   29    8 o  900.862   28.457   20.973   1.3150   22.909   1.9304   19.297   1.7963  939.546   39.962  862.178   40.524 77.36835 56.91355 
1 1 1   17   29   10 o  880.411   33.914   20.310   1.5257   19.164   2.2451   21.293   2.0797  856.412   50.990  904.410   44.728 -47.99774 67.82739 
1 1 1   17   29   12 o  1245.16   46.936   42.062   2.6373   43.295   3.0971   38.810   5.0304  1288.27   46.761  1202.05   81.397 86.22290 93.87270 
1 1 1   17   29   14 o  171.435   39.640   0.5967   0.3780   1.1734   0.7174   0.3751   0.4448  209.090   62.165  133.780   49.203 75.31038 79.28092 
1 1 1   17   29   16 o  462.323   34.367   5.7123   0.7947   7.0920   1.1125   4.2748   1.1355  521.670   41.479  402.977   54.808 118.6923 68.73396 
1 1 1   17   29   18 o  398.061   44.910   4.5183   0.8279   3.5427   1.3722   5.0767   1.0381  355.793   77.231  440.329   45.857 -84.53607 89.81902 
1 1 1   17   29   20 o  786.317   43.207   16.525   1.7403   15.670   2.5255   17.299   2.4015  765.445   64.176  807.189   57.868 -41.74365 86.41310 
1 1 1   17   29   22 o  748.166   35.635   14.221   1.3173   12.870   1.6205   16.853   2.2618  699.835   45.039  796.497   55.234 -96.66205 71.26955 
1 1 1   17   29   24 o  390.785   33.779   4.0191   0.6668   3.0893   0.9090   5.1027   0.9812  341.083   51.834  440.487   43.328 -99.40402 67.55767 
1 1 1   17   29   26 o  737.099   53.929   15.872   1.9111   18.746   2.4841   11.704   2.9915  834.924   57.869  639.274   91.020 195.6498 107.8587 
1 1 1   17   29   28 o  533.234   32.656   7.6110   0.8866   8.2003   1.2072   6.9209   1.3065  557.248   42.136  509.221   49.902 48.02679 65.31223 
1 1 1   17   29   30 o  701.506   31.764   13.064   1.1430   12.816   1.5583   13.354   1.6815  694.962   43.614  708.049   46.191 -13.08783 63.52732 
1 1 1   17   29   32 f  560.913   32.378   8.3526   0.9305   7.4793   1.2671   9.3745   1.3707  528.904   46.599  592.921   44.966 -64.01660 64.75685 
1 1 1   17   29   34 o  396.047   34.062   4.2066   0.6923   3.9351   0.9467   4.5187   1.0150  382.364   48.158  409.729   48.184 -27.36487 68.12438 
1 1 1   17   29   36 o  218.702   70.932   1.3701   0.9117   1.3701   0.9117   0.0000   0.0000  218.702   70.932  ?   ?       ?      ? 
1 1 1   17   29   38 o  193.190   39.248   1.0628   0.4139   1.2371   0.5873   0.8907   0.5835  207.728   54.364  178.652   56.622 29.07588 78.49530 
1 1 1   17   29   40 o  287.980   47.227   2.7484   0.6640   3.1564   0.7821   1.6949   1.2567  340.380   44.695  235.579   83.210 104.8006 94.45342 
1 1 1   17   29   42 o  251.632   47.977   2.0041   0.5978   2.1019   0.6933   1.7203   1.1808  270.163   51.796  233.101   80.773 37.06187 95.95345 
1 1 1   17   29   44 o  154.904   38.408   0.6846   0.3813   0.8593   0.4271   0.0000   0.8456  172.236   46.949  137.573   60.799 34.66371 76.81642 
1 1 1   17   30    1 o  362.568   42.706   3.1527   0.7323   4.5324   1.3673   2.5978   0.8672  414.777   64.120  310.359   56.426 104.4172 85.41264 
1 1 1   17   30    3 o  963.750   30.400   24.137   1.4984   24.053   2.0168   24.240   2.2385  962.427   40.760  965.072   45.115 -2.645081 60.80054 
1 1 1   17   30    5 o  673.639   31.065   11.739   1.0728   10.747   1.4565   12.916   1.5860  642.674   44.082  704.604   43.781 -61.92908 62.12917 
1 1 1   17   30    7 o  464.310   30.377   5.7138   0.7110   4.6703   1.0401   6.6292   0.9742  423.104   47.814  505.516   37.482 -82.41187 60.75392 
1 1 1   17   30    9 o  862.523   31.091   19.225   1.3719   16.832   1.8572   22.098   2.0354  803.667   44.948  921.379   42.969 -117.7121 62.18250 
1 1 1   17   30   11 o  721.889   39.160   11.512   1.2521   9.7179   1.4060   18.387   2.7524  610.420   44.800  833.358   64.242 -222.9379 78.32012 
1 1 1   17   30   13 o  200.637   43.678   0.9049   0.4617   1.5575   0.8748   0.6529   0.5436  238.695   67.996  162.579   54.843 76.11514 87.35660 
1 1 1   17   30   15 f  363.452   35.418   3.4876   0.6545   2.8907   0.9217   4.0949   0.9296  331.264   54.119  395.640   45.703 -64.37521 70.83524 
1 1 1   17   30   17 o  724.685   40.507   14.044   1.4233   13.483   2.4286   14.337   1.7566  709.831   66.548  739.539   46.201 -29.70801 81.01353 
1 1 1   17   30   19 o  180.071   36.928   0.8911   0.3914   1.2606   0.5090   0.3565   0.6123  214.975   47.334  145.168   56.695 69.80638 73.85689 
1 1 1   17   30   21 o  839.560   32.177   18.445   1.3845   16.604   1.8875   20.590   2.0370  794.133   46.230  884.989   44.769 -90.85614 64.35470 
1 1 1   17   30   23 o  604.130   32.235   9.5799   0.9987   8.8968   1.3568   10.388   1.4755  580.789   45.437  627.470   45.737 -46.68109 64.47056 
1 1 1   17   30   25 o  757.849   53.115   16.526   1.9548   18.441   2.5024   13.528   3.1310  827.096   58.848  688.602   88.440 138.4937 106.2293 
1 1 1   17   30   27 o  396.310   34.702   4.2377   0.6974   4.8402   0.9654   3.5801   1.0086  427.550   43.920  365.070   53.739 62.47952 69.40369 
1 1 1   17   30   29 o  193.549   37.309   1.0224   0.3827   0.8299   0.5133   1.2634   0.5743  174.442   52.749  212.656   52.778 -38.21315 74.61884 
1 1 1   17   30   31 o  184.533   37.070   0.9379   0.3745   0.7110   0.5243   1.1742   0.5351  164.109   53.819  204.957   50.993 -40.84750 74.14005 
1 1 1   17   30   33 o  560.377   33.309   8.4867   0.9530   9.1212   1.3099   7.7733   1.3889  584.500   43.590  536.253   50.378 48.24646 66.61898 
1 1 1   17   30   35 o  216.365   44.501   1.2991   0.6052   0.2726   0.8918   2.1753   0.8240  157.370   65.823  275.360   59.906 -117.9899 89.00226 
1 1 1   17   30   37 o  316.584   42.899   2.5824   0.6666   4.4929   1.1308   1.5650   0.8252  402.820   54.604  230.349   66.179 172.4712 85.79761 
1 1 1   17   30   39 o  426.939   34.187   5.0362   0.7448   5.3060   1.0143   4.7205   1.0973  441.430   44.691  412.449   51.746 28.98135 68.37397 
1 1 1   17   30   41 o  209.440   49.493   1.1350   0.5337   0.9734   0.5986   1.7614   1.1786  183.250   57.254  235.629   80.748 -52.37930 98.98603 
1 1 1   17   30   43 o  217.213   44.994   1.4618   0.5081   1.5072   0.5959   1.3408   0.9726  226.238   52.284  208.189   73.240 18.04950 89.98761 
1 1 1   17   31    0 o   99.057   42.800   0.1925   0.3683   0.1193   0.4305   0.3924   0.7115   82.120   50.964  115.994   68.775 -0.000000 0.000000 
1 1 1   17   31    2 o  734.344   33.455   14.029   1.2607   15.271   1.8370   12.923   1.7333  765.114   46.700  703.575   47.918 61.53857 66.91086 
1 1 1   17   31    4 o  764.647   30.826   15.267   1.2057   15.674   1.6387   14.786   1.7804  776.346   41.055  752.948   45.993 23.39777 61.65147 
1 1 1   17   31    6 f  1177.98   28.794   36.063   1.7388   36.463   2.5645   35.722   2.3656  1183.54   42.145  1172.42   39.245 11.11902 57.58842 
1 1 1   17   31    8 o  1352.79   32.296   47.751   2.1620   47.845   3.5785   47.697   2.7131  1351.03   51.519  1354.55   38.959 -3.521240 64.59105 
1 1 1   17   31   10 o  912.487   44.893   20.933   1.9494   19.215   2.3112   25.170   3.6289  855.367   52.556  969.607   72.797 -114.2395 89.78604 
1 1 1   17   31   12 o  314.947   41.561   2.3494   0.6283   3.9151   1.1300   1.6486   0.7560  385.064   57.080  244.829   60.425 140.2352 83.12181 
1 1 1   17   31   14 o  236.451   45.039   1.5788   0.5365   1.3020   0.9870   1.6950   0.6392  223.436   73.872  249.466   51.546 -26.02916 90.07806 
1 1 1   17   31   16 o  618.133   45.354   10.329   1.4179   9.4374   2.1470   11.018   1.8883  591.699   70.575  644.566   56.982 -52.86755 90.70751 
1 1 1   17   31   18 o  597.291   36.999   9.4265   1.1000   9.3889   1.3918   9.4892   1.7956  597.835   45.281  596.747   58.526 1.088318 73.99760 
1 1 1   17   31   20 o  186.916   38.141   0.9479   0.3901   1.1080   0.5523   0.7886   0.5511  200.716   52.808  173.115   55.047 27.60091 76.28140 
1 1 1   17   31   22 f  444.750   33.296   5.2553   0.7571   5.5464   1.0378   4.9242   1.1069  458.764   44.000  430.736   49.985 28.02844 66.59229 
1 1 1   17   31   24 o  403.227   51.012   4.5945   0.8662   4.6292   0.9906   4.4816   1.7859  418.022   46.091  388.432   91.020 29.58994 102.0249 
1 1 1   17   31   26 o  216.304   35.748   1.2404   0.4222   0.6024   0.5736   1.9947   0.6237  158.262   56.182  274.345   44.218 -116.0827 71.49538 
1 1 1   17   31   28 o  405.618   34.164   4.3635   0.6888   3.0204   0.9268   6.0206   1.0295  334.494   53.893  476.742   42.003 -142.2486 68.32794 
1 1 1   17   31   30 o  955.541   31.965   24.341   1.5651   24.051   2.1241   24.685   2.3152  950.656   43.459  960.425   46.886 -9.768188 63.92948 
1 1 1   17   31   32 o  535.537   32.589   7.6626   0.8955   7.2109   1.2205   8.1892   1.3179  518.662   45.771  552.412   46.402 -33.74994 65.17828 
1 1 1   17   31   34 o  401.424   49.934   4.7553   0.9826   3.5344   1.4068   5.9179   1.3729  340.260   81.495  462.588   57.725 -122.3286 99.86785 
1 1 1   17   31   36 o  143.789   40.307   0.3651   0.4237   0.3210   0.5200   0.4523   0.7308  132.549   52.108  155.028   61.509 -22.47879 80.61356 
1 1 1   17   31   38 o  268.372   36.917   2.0108   0.5117   0.7788   0.6823   3.5947   0.7736  171.841   61.246  364.904   41.235 -193.0627 73.83311 
1 1 1   17   31   40 o  208.061   39.108   1.2754   0.4316   1.0140   0.6152   1.5290   0.6057  186.680   57.991  229.441   52.486 -42.76134 78.21570 
1 1 1   17   31   42 o  183.608   42.243   0.6387   0.3982   0.3483   0.4441   1.8307   0.8997  126.709   48.609  240.507   69.103 -113.7977 84.48672 
1 1 1   17   32    1 f  963.935   33.401   24.263   1.6539   25.709   2.3768   22.905   2.3029  991.970   46.604  935.899   47.861 56.07019 66.80290 
1 1 1   17   32    3 o  350.026   59.483   3.4485   1.0827   2.3392   1.5176   4.5983   1.5451  291.957   91.149  408.094   76.450 -116.1368 118.9651 
1 1 1   17   32    5 o  289.314   48.656   2.5349   0.6769   1.5142   1.3326   2.8899   0.7858  246.070   85.775  332.557   45.962 -86.48625 97.31274 
1 1 1   17   32    7 f  311.006   47.347   3.1614   0.6703   1.4657   1.3396   3.7277   0.7741  243.624   85.926  378.388   39.793 -134.7642 94.69328 
1 1 1   17   32    9 o  430.376   60.649   5.1821   1.2930   4.7258   1.7650   5.7105   1.8995  409.230   86.591  451.521   84.944 -42.29044 121.2988 
1 1 1   17   32   11 o  586.382   44.323   8.8096   1.1891   9.9186   2.3335   8.4206   1.3820  606.115   74.884  566.649   47.439 39.46637 88.64593 
1 1 1   17   32   13 o  122.552   35.292   0.1711   0.2918   0.2359   0.6510   0.1549   0.3264  141.265   57.360  103.839   41.135 37.42603 70.58479 
1 1 1   17   32   15 o  956.216   38.477   24.721   1.8345   26.767   2.3898   21.785   2.8624  1009.42   46.049  903.007   61.655 106.4185 76.95349 
1 1 1   17   32   17 o  568.766   34.222   8.5455   0.9988   9.1113   1.4099   7.9754   1.4152  588.217   46.621  549.316   50.112 38.90088 68.44495 
1 1 1   17   32   19 o  423.324   35.121   4.7915   0.7524   5.7288   1.0630   3.8504   1.0651  466.491   44.320  380.157   54.494 86.33331 70.24160 
1 1 1   17   32   21 o  332.177   34.877   2.9171   0.5931   2.5645   0.8134   3.3175   0.8667  310.473   50.957  353.881   47.635 -43.40793 69.75467 
1 1 1   17   32   23 o  237.449   47.895   1.7114   0.5879   1.9346   0.6657   0.9210   1.2529  265.354   50.647  209.544   81.306 55.81009 95.79010 
1 1 1   17   32   25 o  228.348   45.310   1.4690   0.5443   1.4573   0.8807   1.4762   0.6924  227.599   69.153  229.096   58.565 -1.497559 90.61993 
1 1 1   17   32   27 o  319.198   37.795   2.7866   0.6042   2.8080   0.8209   2.7613   0.8926  323.687   49.326  314.709   57.278 8.978455 75.59016 
1 1 1   17   32   29 o  217.913   38.463   1.3494   0.4492   1.8804   0.6285   0.7951   0.6422  260.999   48.627  174.827   59.606 86.17188 76.92561 
1 1 1   17   32   31 o  112.050   31.579   0.1893   0.2726   0.1741   0.4087   0.2015   0.3658  113.188   45.626  110.911   43.671 2.276131 63.15772 
1 1 1   17   32   33 o  1036.58   45.043   30.258   2.3901   27.439   3.3932   33.034   3.3673  983.713   67.093  1089.44   60.118 -105.7289 90.08636 
1 1 1   17   32   35 o  558.742   52.385   9.1348   1.4811   8.9923   1.9323   9.3377   2.3063  559.679   67.153  557.806   80.420 1.872192 104.7703 
1 1 1   17   32   37 o  366.332   34.548   3.6761   0.6428   2.9756   0.8797   4.4786   0.9415  327.289   52.282  405.376   45.176 -78.08719 69.09617 
1 1 1   17   32   39 o  426.048   35.335   5.0716   0.7717   5.3269   1.0729   4.7979   1.1108  438.745   47.563  413.351   52.268 25.39432 70.66933 
1 1 1   17   32   41 o  208.683   37.117   1.2524   0.4093   0.8241   0.5506   1.7812   0.6118  169.318   55.137  248.048   49.704 -78.73035 74.23328 
1 1 1   17   32   43 o  409.944   40.610   4.9056   0.7687   2.7657   1.0179   7.7446   1.1725  293.304   68.709  526.584   43.309 -233.2801 81.21933 
1 1 1   17   33    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   33    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   33    4 o  418.742   83.720   4.9218   1.7394   4.9218   1.7394   0.0000   0.0000  418.742   83.720  ?   ?       ?      ? 
1 1 1   17   33    6 o  520.460   51.816   7.6137   1.2673   6.5523   2.0918   8.2294   1.5930  482.681   87.514  558.240   55.505 -75.55966 103.6313 
1 1 1   17   33    8 o  424.100   82.405   5.0517   1.7320   5.0517   1.7320   0.0000   0.0000  424.100   82.405  ?   ?       ?      ? 
1 1 1   17   33   10 o  798.306   50.321   17.549   1.9443   15.974   3.2691   18.411   2.4186  763.071   83.329  833.540   56.437 -70.46881 100.6422 
1 1 1   17   33   12 o  795.544   38.789   16.550   1.5741   14.067   2.1037   19.710   2.3728  728.026   56.203  863.061   53.474 -135.0347 77.57777 
1 1 1   17   33   14 o  471.129   40.204   5.3143   0.9235   8.2947   1.6384   3.9264   1.1181  558.139   57.098  384.119   56.615 174.0200 80.40775 
1 1 1   17   33   16 o  146.759   35.924   0.5087   0.3566   0.0000   0.6070   0.7768   0.4407  124.194   53.217  169.323   48.270 -45.12859 71.84743 
1 1 1   17   33   18 o  223.349   45.096   1.3969   0.5215   1.2472   0.9464   1.4621   0.6250  216.824   72.367  229.875   53.830 -13.05099 90.19212 
1 1 1   17   33   20 o  569.820   41.390   8.8254   1.1373   8.4960   1.9585   8.9931   1.3970  556.962   68.395  582.677   46.633 -25.71582 82.77941 
1 1 1   17   33   22 o  461.418   55.413   6.7541   1.0492   7.4650   1.2192   4.7256   2.0595  530.878   44.670  391.959  101.424 138.9198 110.8256 
1 1 1   17   33   24 o  154.833   37.246   0.5523   0.3956   0.0000   0.6069   0.9602   0.5216  123.336   53.040  186.329   52.305 -62.99339 74.49203 
1 1 1   17   33   26 o  534.509   33.404   7.6023   0.9158   7.1489   1.2439   8.1389   1.3532  517.390   46.763  551.629   47.714 -34.23914 66.80901 
1 1 1   17   33   28 o  453.703   34.210   5.5082   0.7959   5.2623   1.0799   5.8006   1.1778  443.043   47.408  464.362   49.332 -21.31888 68.41913 
1 1 1   17   33   30 o  267.719   44.387   1.8473   0.5785   2.8989   1.0259   1.3570   0.7005  317.432   65.049  218.006   60.410 99.42630 88.77348 
1 1 1   17   33   32 o  350.585   43.935   3.5804   0.7274   3.8118   0.9081   3.1662   1.2149  375.593   47.026  325.577   74.227 50.01620 87.87034 
1 1 1   17   33   34 o  219.302   44.344   1.5494   0.5587   1.9328   0.6520   0.4893   1.0842  262.061   50.218  176.542   73.100 85.51884 88.68737 
1 1 1   17   33   36 o  396.902   41.341   4.8507   0.7398   6.8312   1.0121   2.5775   1.0842  504.262   39.037  289.543   72.887 214.7189 82.68256 
1 1 1   17   33   38 o  285.053   38.438   2.3688   0.5444   3.0647   0.7711   1.6772   0.7688  334.093   44.895  236.012   62.405 98.08127 76.87583 
1 1 1   17   33   40 o  267.520   45.427   2.2971   0.6371   1.6006   1.0231   2.7383   0.8143  224.021   75.241  311.018   50.923 -86.99725 90.85322 
1 1 1   17   33   42 o  161.033   43.177   0.6785   0.4890   0.7168   0.7390   0.6487   0.6521  164.702   62.821  157.365   59.249 7.336563 86.35321 
1 1 1   17   34    1 o  334.095   48.625   3.0915   0.8071   3.2139   1.1642   2.9782   1.1198  340.569   68.855  327.620   68.678 12.94974 97.25047 
1 1 1   17   34    3 o  430.512   69.779   4.9851   1.5445   4.9851   1.5445   0.0000   0.0000  430.512   69.779  ?   ?       ?      ? 
1 1 1   17   34    5 o  298.654   51.093   2.6349   0.7668   3.0149   0.9233   1.7902   1.3766  337.860   53.151  259.447   87.275 78.41287 102.1862 
1 1 1   17   34    7 o  226.403   49.010   1.3668   0.5766   1.3745   0.6700   1.3449   1.1322  223.375   57.871  229.432   79.113 -6.056488 98.02019 
1 1 1   17   34    9 o  262.995   50.178   1.5129   0.6522   0.9517   0.7566   3.1358   1.2866  192.891   64.703  333.100   76.713 -140.2096 100.3568 
1 1 1   17   34   11 o  257.893   50.359   2.0354   0.6958   2.4302   0.8123   0.9472   1.3487  298.231   55.002  217.555   84.373 80.67531 100.7178 
1 1 1   17   34   13 o  183.127   46.575   0.7304   0.5018   0.6515   0.5797   0.9664   1.0024  163.310   56.595  202.944   73.986 -39.63368 93.14946 
1 1 1   17   34   15 o  282.222   56.416   2.3515   0.9343   3.3010   1.2145   0.9743   1.4625  342.077   71.363  222.367   87.398 119.7102 112.8315 
1 1 1   17   34   17 o  266.867   46.554   2.1013   0.6196   1.6109   1.0798   2.3420   0.7565  241.173   77.089  292.561   52.213 -51.38744 93.10703 
1 1 1   17   34   19 o  160.499   41.266   0.5767   0.4110   0.6255   0.7644   0.5569   0.4874  170.618   64.166  150.380   51.905 20.23820 82.53150 
1 1 1   17   34   21 o  439.481   46.268   5.6664   0.9375   4.3235   1.5311   6.4720   1.1858  385.609   79.857  493.353   46.752 -107.7441 92.53587 
1 1 1   17   34   23 o  275.889   54.911   2.1192   0.7515   0.0000   0.0000   2.1192   0.7515  ?   ?   275.889   54.911      ?      ? 
1 1 1   17   34   25 o  409.981   41.135   4.4466   0.8415   5.1696   1.4038   4.0412   1.0513  433.133   63.040  386.828   52.861 46.30469 82.27010 
1 1 1   17   34   27 o  443.037   42.177   5.5075   0.9214   4.9020   1.4751   5.8949   1.1799  417.996   68.641  468.077   49.029 -50.08118 84.35318 
1 1 1   17   34   29 o  658.936   49.582   11.742   1.6797   0.0000   0.0000   11.742   1.6797  ?   ?   658.936   49.582      ?      ? 
1 1 1   17   34   31 o  542.090   46.250   8.3227   1.2866   7.9570   1.8428   8.6705   1.7971  528.611   67.806  555.568   62.918 -26.95703 92.49989 
1 1 1   17   34   33 o  362.998   57.334   4.1590   1.0404   4.5477   1.3206   3.5229   1.6893  399.426   64.310  326.569   94.938 72.85620 114.6689 
1 1 1   17   34   35 o  388.915   43.609   4.0606   0.8235   5.6309   1.4211   3.2668   1.0104  443.063   62.386  334.768   60.950 108.2943 87.21738 
1 1 1   17   34   37 o  262.139   43.954   1.7860   0.5922   3.3919   1.0230   0.9767   0.7262  339.124   60.911  185.154   63.385 153.9701 87.90839 
1 1 1   17   34   39 f  296.216   41.852   2.3571   0.6199   4.1730   1.0382   1.3507   0.7729  382.663   52.770  209.768   64.974 172.8952 83.70341 
1 1 1   17   34   41 o  391.524   45.545   4.5305   0.8536   5.3598   1.4776   4.1151   1.0457  407.208   73.271  375.841   54.118 31.36682 91.08961 
1 1 1   17   35    0 o  162.482   60.343   0.9509   0.6305   1.3030   1.1129   0.7845   0.7652  181.718   93.422  143.247   76.404 0.000000 0.000000 
1 1 1   17   35    2 o  512.660   34.979   6.9314   0.9201   6.9093   1.3423   6.9510   1.2638  511.471   51.047  513.849   47.837 -2.378571 69.95873 
1 1 1   17   35    4 o  647.266   49.949   11.682   1.4955   12.207   1.7934   10.485   2.7096  679.583   51.330  614.950   85.702 64.63281 99.89766 
1 1 1   17   35    6 o  182.836   44.577   0.8489   0.5021   1.0129   0.5990   0.4612   0.9207  193.174   56.638  172.499   68.851 20.67578 89.15329 
1 1 1   17   35    8 o  302.316   33.440   2.4900   0.4960   2.0351   0.7271   2.8860   0.6784  272.537   53.799  332.096   39.731 -59.55896 66.87968 
1 1 1   17   35   10 o  325.008   33.979   2.8839   0.5379   2.1828   0.7711   3.5486   0.7507  281.901   55.179  368.115   39.667 -86.21390 67.95713 
1 1 1   17   35   12 o  299.155   53.205   2.9406   0.8299   3.5380   0.9480   0.9821   1.7166  365.198   50.490  233.112   93.670 132.0861 106.4108 
1 1 1   17   35   14 o  743.750   48.273   14.723   1.6481   14.264   1.9275   15.970   3.1782  732.256   51.199  755.245   81.852 -22.98920 96.54589 
1 1 1   17   35   16 o  726.878   47.825   14.404   1.5993   14.335   1.8857   14.583   3.0185  733.833   49.981  719.924   81.553 13.90887 95.64994 
1 1 1   17   35   18 o  724.558   51.583   15.238   1.6319   15.991   1.9040   13.153   3.1674  775.382   47.763  673.734   91.443 101.6475 103.1655 
1 1 1   17   35   20 o  364.924   52.578   3.8989   0.8720   4.0446   1.0287   3.5273   1.6432  388.357   51.524  341.491   91.668 46.86536 105.1559 
1 1 1   17   35   22 o  610.702   59.384   11.269   1.6833   12.569   2.1329   9.1216   2.7410  677.537   61.232  543.866  101.768 133.6710 118.7689 
1 1 1   17   35   24 o  437.909   54.107   5.7588   0.9856   5.9830   1.1323   5.0580   2.0020  473.059   46.556  402.758   97.687 70.30109 108.2136 
1 1 1   17   35   26 o  273.307   49.822   1.8060   0.6097   1.4691   0.6866   3.0622   1.3258  227.275   58.434  319.338   80.712 -92.06244 99.64449 
1 1 1   17   35   28 o  531.877   72.946   8.1064   1.9947   8.1064   1.9947   0.0000   0.0000  531.877   72.946  ?   ?       ?      ? 
1 1 1   17   35   30 o  297.944   53.433   2.4960   0.7884   2.4960   0.7884   0.0000   0.0000  297.944   53.433  ?   ?       ?      ? 
1 1 1   17   35   32 o  227.701   48.309   1.4737   0.5373   1.4529   0.6030   1.5537   1.1843  225.369   52.940  230.032   80.824 -4.662445 96.61861 
1 1 1   17   35   34 o  562.936   62.720   10.653   1.6181   12.997   2.1103   7.3073   2.5206  674.484   60.855  451.388  109.689 223.0953 125.4396 
1 1 1   17   35   36 o  262.601   50.000   1.9263   0.6020   1.7273   0.6814   2.6338   1.2850  242.549   55.802  282.653   82.984 -40.10385 100.0006 
1 1 1   17   35   38 o  307.733   52.642   3.4335   0.7838   3.8105   0.8870   2.0907   1.6742  369.569   46.682  245.896   94.370 123.6738 105.2847 
1 1 1   17   35   40 o  337.017   52.549   3.9268   0.8361   4.2406   0.9931   3.1628   1.5494  384.698   50.211  289.337   92.328 95.36118 105.0977 
1 1 1   17   36    1 o  772.222   58.110   16.613   2.2745   19.812   3.2422   13.513   3.1918  851.084   74.096  693.360   89.537 157.7240 116.2201 
1 1 1   17   36    3 o  192.029   48.357   0.8145   0.6560   0.0000   1.0195   1.3898   0.8569  159.122   68.589  224.936   68.184 -65.81410 96.71378 
1 1 1   17   36    5 o  227.413   48.766   1.2918   0.5373   1.6769   1.1628   1.1872   0.6059  247.346   80.096  207.481   55.653 39.86494 97.53271 
1 1 1   17   36    7 o  662.754   38.845   12.258   1.2570   9.0532   1.9187   14.667   1.6636  578.765   64.482  746.743   43.333 -167.9780 77.68993 
1 1 1   17   36    9 o  460.308   40.282   6.1742   0.8416   4.3186   1.3673   7.3062   1.0679  392.712   70.302  527.904   39.347 -135.1919 80.56429 
1 1 1   17   36   11 o  777.629   34.253   16.243   1.3179   15.200   2.1377   16.882   1.6739  753.706   55.166  801.553   40.618 -47.84692 68.50613 
1 1 1   17   36   13 o  495.651   32.561   6.4165   0.8145   4.8913   1.0908   8.3388   1.2246  428.844   49.474  562.458   42.348 -133.6144 65.12283 
1 1 1   17   36   15 o  704.401   35.141   13.260   1.2689   12.599   1.8334   13.868   1.7579  686.334   51.958  722.468   47.327 -36.13409 70.28175 
1 1 1   17   36   17 o  286.096   39.550   2.2779   0.5663   1.8031   0.8122   2.7270   0.7899  252.301   62.848  319.890   48.030 -67.58884 79.09984 
1 1 1   17   36   19 o  199.679   36.089   0.9275   0.4319   2.0543   0.6702   0.1272   0.5648  273.352   49.514  126.005   52.517 147.3471 72.17773 
1 1 1   17   36   21 o  280.439   57.135   2.1519   0.8509   1.6191   1.0590   3.1225   1.4293  238.502   76.355  322.377   85.016 -83.87543 114.2707 
1 1 1   17   36   23 f  293.049   37.305   2.3628   0.5487   2.4938   0.7642   2.2234   0.7883  304.678   48.788  281.420   56.449 23.25793 74.61059 
1 1 1   17   36   25 o  205.246   40.262   1.1862   0.4400   1.0834   0.6065   1.3006   0.6394  196.357   56.828  214.135   57.050 -17.77802 80.52372 
1 1 1   17   36   27 o  191.862   46.186   0.9161   0.5623   1.4449   0.8471   0.4995   0.7519  223.650   67.794  160.074   62.742 63.57658 92.37151 
1 1 1   17   36   29 o  250.532   51.797   2.0229   0.6768   2.2509   0.7532   1.0670   1.5422  282.223   53.872  218.842   88.486 63.38176 103.5947 
1 1 1   17   36   31 o  556.087   49.943   8.7323   1.2097   8.4722   1.3829   9.5803   2.4967  556.692   48.317  555.482   87.423 1.209839 99.88661 
1 1 1   17   36   33 o  169.649   47.293   0.6282   0.5843   0.6717   0.7100   0.5368   1.0286  165.573   61.924  173.724   71.496 -8.150803 94.58511 
1 1 1   17   36   35 o  225.504   39.919   1.5210   0.4615   1.6558   0.6092   1.3393   0.7070  239.513   51.032  211.495   61.399 28.01758 79.83809 
1 1 1   17   36   37 o  152.938   39.428   0.5925   0.3918   0.6969   0.6447   0.5313   0.4933  162.037   59.295  143.839   51.985 18.19788 78.85641 
1 1 1   17   36   39 o  257.471   39.599   1.9432   0.5250   1.3312   0.7024   2.7177   0.7902  206.828   61.516  308.113   49.882 -101.2850 79.19893 
1 1 1   17   37    0 o  328.905  103.922   3.6500   1.5450   0.0000   0.0000   3.6500   1.5450  328.905  103.922  328.905  103.922 -0.000000 0.000000 
1 1 1   17   37    2 o  280.705   51.315   2.2113   0.6914   2.2351   1.3239   2.2024   0.8108  279.418   84.764  281.991   57.863 -2.573090 102.6308 
1 1 1   17   37    4 o  210.246   45.145   0.8110   0.4892   2.1705   1.0312   0.4162   0.5557  276.261   71.907  144.231   54.604 132.0302 90.28954 
1 1 1   17   37    6 o  382.593   37.627   3.9160   0.7321   3.8316   1.1125   3.9804   0.9722  377.840   57.271  387.346   48.819 -9.505798 75.25488 
1 1 1   17   37    8 o  603.818   35.984   10.135   1.0389   8.3716   1.7356   11.120   1.2969  556.660   60.644  650.977   38.751 -94.31665 71.96772 
1 1 1   17   37   10 o  377.386   32.393   3.8222   0.6191   3.2120   0.8992   4.3723   0.8537  347.198   50.372  407.574   40.740 -60.37656 64.78523 
1 1 1   17   37   12 o  138.504   32.615   0.4486   0.2858   0.7157   0.4133   0.2037   0.3957  162.281   46.893  114.727   45.343 47.55397 65.22961 
1 1 1   17   37   14 o  385.054   36.125   3.9612   0.7136   4.0763   1.0498   3.8623   0.9730  389.858   52.374  380.250   49.771 9.607574 72.25100 
1 1 1   17   37   16 o  134.818   34.511   0.3889   0.3049   0.5517   0.4809   0.2795   0.3942  149.215   51.554  120.421   45.894 28.79402 69.02232 
1 1 1   17   37   18 o  487.478   36.905   6.4711   0.9102   5.2801   1.3009   7.6134   1.2740  440.693   57.417  534.262   46.381 -93.56940 73.80963 
1 1 1   17   37   20 f  723.628   62.886   16.332   2.0799   19.352   2.6809   11.767   3.2965  838.330   62.200  608.927  109.314 229.4023 125.7712 
1 1 1   17   37   22 o  222.530   37.921   1.4113   0.4431   1.9167   0.6211   0.8873   0.6323  263.775   47.545  181.285   59.089 82.48958 75.84218 
1 1 1   17   37   24 o  372.818   50.542   4.9741   0.9181   1.5102   1.5508   6.8433   1.1392  239.711   91.104  505.925   43.797 -266.2139 101.0849 
1 1 1   17   37   26 o  470.831   55.657   6.9987   1.2245   4.2636   1.8371   9.1851   1.6426  363.617   96.623  578.045   55.270 -214.4281 111.3135 
1 1 1   17   37   28 o  155.492   38.289   0.6214   0.3744   0.6602   0.4960   0.5700   0.5710  157.424   52.383  153.561   55.860 3.863159 76.57835 
1 1 1   17   37   30 o  343.927   40.429   3.3464   0.6892   2.6797   0.9478   4.0946   1.0040  302.258   63.033  385.595   50.646 -83.33710 80.85853 
1 1 1   17   37   32 o  143.919   42.931   0.1520   0.4922   0.0000   0.5782   0.5515   0.9376  118.166   51.293  169.672   68.857 -51.50576 85.86168 
1 1 1   17   37   34 o  436.978   35.271   5.3051   0.7896   4.7555   1.0752   5.9486   1.1634  411.921   50.769  462.035   48.977 -50.11420 70.54203 
1 1 1   17   37   36 o  437.029   36.966   5.3959   0.8034   3.8195   1.0858   7.3036   1.1944  361.637   58.400  512.422   45.338 -150.7852 73.93292 
1 1 1   17   37   38 o  115.409   32.009   0.2369   0.2817   0.4107   0.4141   0.0870   0.3844  128.898   47.467  101.921   42.955 26.97636 64.01768 
1 1 1   17   38    1 o  452.819   36.813   5.4959   0.8528   4.9587   1.2178   6.0126   1.1945  430.017   55.085  475.621   48.851 -45.60373 73.62574 
1 1 1   17   38    3 o  733.756   35.692   14.346   1.3436   14.350   1.9644   14.343   1.8417  732.983   52.127  734.529   48.770 -1.546204 71.38432 
1 1 1   17   38    5 o  990.196   35.761   26.319   1.8035   24.532   2.6801   27.798   2.4381  956.390   54.506  1024.00   46.310 -67.61066 71.52253 
1 1 1   17   38    7 f  631.533   32.822   10.669   1.0562   11.734   1.4557   9.4851   1.5348  666.690   42.470  596.377   50.056 70.31305 65.64486 
1 1 1   17   38    9 o  465.518   31.951   5.8860   0.7426   4.4753   1.0776   7.1613   1.0246  409.054   51.241  521.981   38.180 -112.9269 63.90155 
1 1 1   17   38   11 o  516.785   30.897   7.0495   0.8191   7.4555   1.2081   6.7039   1.1144  530.292   44.311  503.277   43.070 27.01465 61.79341 
1 1 1   17   38   13 o  1078.13   32.530   30.980   1.7942   31.478   2.4332   30.387   2.6563  1089.63   43.435  1066.63   48.438 22.99902 65.05987 
1 1 1   17   38   15 o  684.969   32.866   12.412   1.1512   11.588   1.5340   13.475   1.7417  659.810   45.220  710.128   47.705 -50.31812 65.73141 
1 1 1   17   38   17 o  427.220   37.281   4.9670   0.8113   4.4672   1.1855   5.4072   1.1127  405.149   56.914  449.290   48.169 -44.14053 74.56210 
1 1 1   17   38   19 o  283.060   58.551   2.3273   0.8865   2.0606   1.1245   2.7653   1.4409  264.515   77.620  301.606   87.681 -37.09155 117.1017 
1 1 1   17   38   21 o  415.011   36.191   4.6684   0.7695   4.2343   1.0862   5.1059   1.0904  394.626   53.539  435.396   48.710 -40.77008 72.38139 
1 1 1   17   38   23 o  251.346   49.839   1.9081   0.6920   1.2963   1.0741   2.3422   0.9048  217.719   76.924  284.973   63.390 -67.25456 99.67751 
1 1 1   17   38   25 o  211.594   41.389   1.2432   0.4538   1.1056   0.5716   1.4779   0.7466  197.344   54.525  225.844   62.283 -28.49998 82.77789 
1 1 1   17   38   27 o  594.647   34.692   9.6388   1.0582   8.7883   1.4686   10.557   1.5260  566.424   50.431  622.870   47.654 -56.44592 69.38405 
1 1 1   17   38   29 o  432.462   37.828   5.2683   0.8238   6.2648   1.1495   4.2158   1.1813  479.004   46.676  385.920   59.540 93.08383 75.65511 
1 1 1   17   38   31 o  491.605   55.538   7.4224   1.1386   7.4170   1.3083   7.4394   2.3121  517.635   49.160  465.575   99.605 52.05997 111.0755 
1 1 1   17   38   33 o  141.486   35.667   0.5012   0.3231   0.5912   0.5047   0.4386   0.4206  149.835   52.753  133.137   48.018 16.69756 71.33450 
1 1 1   17   38   35 o  410.874   36.975   4.8306   0.7788   5.0620   1.0830   4.5827   1.1208  422.994   49.799  398.753   54.669 24.24133 73.95020 
1 1 1   17   39    0 o  774.833   57.490   17.320   2.0783   13.889   3.2619   19.664   2.6964  694.031   96.804  855.635   62.045 0.000000 0.000000 
1 1 1   17   39    2 o  873.756   35.994   20.528   1.6069   18.486   2.3123   22.434   2.2346  829.217   54.239  918.295   47.332 -89.07831 71.98775 
1 1 1   17   39    4 o  765.960   36.088   15.668   1.4160   16.080   2.1035   15.327   1.9149  774.034   52.859  757.886   49.145 16.14838 72.17526 
1 1 1   17   39    6 o  380.852   34.472   3.8660   0.6742   3.7749   0.9278   3.9679   0.9814  376.331   47.954  385.373   49.536 -9.041565 68.94481 
1 1 1   17   39    8 o  720.951   33.280   13.843   1.2326   13.741   1.7068   13.954   1.7818  718.643   46.197  723.259   47.917 -4.615967 66.55951 
1 1 1   17   39   10 f  452.990   31.702   5.4194   0.7357   6.0846   1.0872   4.8576   0.9992  478.682   44.176  427.297   45.482 51.38577 63.40467 
1 1 1   17   39   12 o  278.694   35.354   2.1632   0.4849   1.6014   0.6957   2.6942   0.6763  238.344   57.445  319.044   41.229 -80.69992 70.70885 
1 1 1   17   39   14 o  524.859   34.414   7.5170   0.9099   8.5165   1.2333   6.3226   1.3481  566.477   42.345  483.241   54.262 83.23593 68.82868 
1 1 1   17   39   16 o  887.910   32.546   21.073   1.4756   21.075   1.9771   21.072   2.2171  889.955   43.211  885.865   48.679 4.090515 65.09111 
1 1 1   17   39   18 o  501.520   60.442   7.4730   1.4965   7.5499   1.9651   7.3669   2.3090  514.667   74.267  488.373   95.381 26.29422 120.8847 
1 1 1   17   39   20 o  142.079   40.210   0.2199   0.3567   0.7014   0.8430   0.1149   0.3937  176.818   67.178  107.341   44.210 69.47619 80.42048 
1 1 1   17   39   22 o  269.414   52.493   2.2885   0.7814   1.3779   1.2957   2.8090   0.9797  226.440   83.856  312.389   63.168 -85.94839 104.9855 
1 1 1   17   39   24 o  347.843   38.112   3.3761   0.6596   3.8897   0.9386   2.8749   0.9272  378.419   48.244  317.268   59.014 61.15097 76.22486 
1 1 1   17   39   26 o  919.734   35.115   23.234   1.6552   24.676   2.3096   21.711   2.3734  951.906   47.193  887.562   52.011 64.34430 70.23038 
1 1 1   17   39   28 o  353.177   38.874   3.5449   0.6832   3.9655   0.9556   3.1053   0.9771  379.611   48.965  326.742   60.391 52.86908 77.74706 
1 1 1   17   39   30 o  251.325   53.012   2.0010   0.6882   2.0746   0.7856   1.7579   1.4271  265.126   59.139  237.524   87.997 27.60226 106.0232 
1 1 1   17   39   32 o  264.879   40.879   2.1686   0.5633   2.9483   0.7647   1.2431   0.8330  326.517   45.550  203.241   67.894 123.2756 81.75845 
1 1 1   17   39   34 o  585.208   35.601   9.6797   1.0679   9.1300   1.4433   10.345   1.5874  567.945   49.429  602.470   51.249 -34.52539 71.20198 
1 1 1   17   40    1 o  299.259   41.105   2.5005   0.6159   1.9990   0.8776   2.9870   0.8645  264.689   64.973  333.829   50.368 -69.14017 82.20950 
1 1 1   17   40    3 o  462.725   39.044   5.9109   0.9008   4.4162   1.2930   7.3201   1.2555  401.362   62.661  524.088   46.597 -122.7254 78.08759 
1 1 1   17   40    5 o  179.954   39.818   0.8812   0.4094   0.8061   0.6150   0.9409   0.5486  175.198   58.330  184.710   54.219 -9.511917 79.63697 
1 1 1   17   40    7 o  286.326   37.820   2.3378   0.5315   3.1030   0.7368   1.5076   0.7675  342.245   41.876  230.407   62.990 111.8383 75.63934 
1 1 1   17   40    9 o  489.528   32.415   6.5221   0.7972   5.2908   1.1721   7.5820   1.0875  443.352   51.420  535.703   39.484 -92.35159 64.83063 
1 1 1   17   40   11 f  191.880   36.039   1.0358   0.3653   0.8415   0.5380   1.2020   0.4975  175.665   54.178  208.095   47.538 -32.43008 72.07768 
1 1 1   17   40   13 o  441.689   31.379   5.1769   0.7097   5.8732   1.0395   4.5690   0.9712  469.852   43.031  413.526   45.681 56.32629 62.75705 
1 1 1   17   40   15 o  365.034   35.522   3.5895   0.6645   3.5269   0.9015   3.6640   0.9834  362.166   48.414  367.901   51.993 -5.734558 71.04343 
1 1 1   17   40   17 o  640.739   64.077   12.253   2.1014   10.848   2.8554   13.914   3.1038  598.700   92.767  682.779   88.418 -84.07935 128.1538 
1 1 1   17   40   19 o  177.234   47.454   0.6005   0.5156   1.1080   1.0806   0.4510   0.5866  207.622   76.641  146.846   55.979 60.77559 94.90837 
1 1 1   17   40   21 o  467.045   41.364   6.0833   0.9801   6.2553   1.3005   5.8572   1.4912  477.860   52.935  456.231   63.574 21.62881 82.72717 
1 1 1   17   40   23 o  463.794   37.975   5.9646   0.8957   5.0192   1.2658   6.9128   1.2677  424.112   58.051  503.476   48.973 -79.36438 75.94946 
1 1 1   17   40   25 o  253.729   40.633   1.8470   0.5181   1.5606   0.7012   2.1913   0.7688  231.284   58.830  276.174   56.063 -44.88976 81.26550 
1 1 1   17   40   27 o  190.511   39.990   1.0486   0.4355   0.7010   0.6333   1.3604   0.5998  164.391   58.964  216.630   54.037 -52.23917 79.97973 
1 1 1   17   40   29 o  260.241   52.652   2.1986   0.6883   2.3088   0.7776   1.7997   1.4798  281.643   55.675  238.839   89.383 42.80432 105.3041 
1 1 1   17   40   31 o  186.353   43.617   0.9463   0.4886   1.4114   0.7738   0.6378   0.6301  214.738   64.728  157.967   58.483 56.77039 87.23497 
1 1 1   17   40   33 o  503.496   36.757   7.2456   0.9477   7.0650   1.2791   7.4654   1.4111  498.590   49.899  508.403   53.985 -9.812927 73.51385 
1 1 1   17   41    0 o  209.157   67.763   1.6724   0.7632   2.0099   1.3130   1.5002   0.9379  222.544  103.443  195.769   87.560 0.000000 0.000000 
1 1 1   17   41    2 o  889.831   36.461   21.388   1.6627   19.961   2.3851   22.737   2.3192  858.907   54.012  920.755   48.993 -61.84827 72.92194 
1 1 1   17   41    4 o  488.257   38.301   6.5256   0.9492   5.6897   1.3885   7.2589   1.3005  456.169   59.202  520.346   48.612 -64.17682 76.60280 
1 1 1   17   41    6 o  186.778   37.927   0.8587   0.4025   1.5192   0.6385   0.4230   0.5185  232.531   54.378  141.025   52.884 91.50586 75.85332 
1 1 1   17   41    8 o  560.908   48.456   8.5284   1.1658   8.3074   1.3220   9.3018   2.4730  557.470   46.124  564.346   85.233 -6.876221 96.91272 
1 1 1   17   41   10 o  584.884   32.288   9.2674   0.9563   7.8329   1.3924   10.548   1.3156  539.092   50.238  630.676   40.574 -91.58411 64.57668 
1 1 1   17   41   12 o  495.672   31.552   6.5627   0.8026   6.6067   1.1721   6.5239   1.1013  496.689   45.900  494.656   43.305 2.032074 63.10411 
1 1 1   17   41   14 o  472.470   58.222   6.2628   1.2660   5.7527   1.4988   7.5325   2.3646  454.151   64.193  490.790   97.151 -36.63864 116.4437 
1 1 1   17   41   16 o  355.520   94.119   4.0077   1.7473   4.0077   1.7473   0.0000   0.0000  355.520   94.119  ?   ?       ?      ? 
1 1 1   17   41   18 o  227.701   44.060   1.5076   0.5323   1.6331   0.7251   1.3609   0.7840  238.160   59.413  217.242   65.079 20.91754 88.12021 
1 1 1   17   41   20 o  508.496   38.142   7.1359   0.9656   9.4705   1.4098   5.0732   1.3252  591.538   46.357  425.455   60.583 166.0831 76.28454 
1 1 1   17   41   22 f  231.831   41.601   1.5682   0.4988   1.3832   0.7171   1.7417   0.6943  217.736   61.404  245.927   56.144 -28.19135 83.20264 
1 1 1   17   41   24 f  276.197   41.450   2.2059   0.5705   2.5676   0.8360   1.8907   0.7805  298.813   56.488  253.582   60.675 45.23082 82.89983 
1 1 1   17   41   26 o  225.317   38.187   1.4628   0.4879   2.3114   0.6886   0.6074   0.6914  290.261   46.143  160.373   60.859 129.8876 76.37394 
1 1 1   17   41   28 o  322.343   39.121   3.0268   0.6223   3.5492   0.8649   2.4662   0.8960  358.074   46.983  286.611   62.565 71.46356 78.24175 
1 1 1   17   41   30 o  532.453   44.471   8.2921   1.1858   8.9252   1.9245   7.9047   1.5056  541.201   69.167  523.705   55.917 17.49585 88.94220 
1 1 1   17   41   32 o  190.272   40.276   1.0883   0.4441   0.6981   0.6393   1.4523   0.6174  160.784   59.014  219.760   54.826 -58.97598 80.55132 
1 1 1   17   42    1 o  605.685   37.291   9.9349   1.1610   10.111   1.6388   9.7579   1.6451  611.409   52.136  599.962   53.332 11.44617 74.58192 
1 1 1   17   42    3 f  722.011   36.691   14.158   1.3548   13.166   1.9682   15.052   1.8677  695.623   55.034  748.398   48.540 -52.77502 73.38180 
1 1 1   17   42    5 o  894.876   36.928   21.787   1.6872   20.469   2.4838   22.917   2.2991  866.460   55.756  923.292   48.434 -56.83234 73.85554 
1 1 1   17   42    7 o  327.099   37.920   3.0020   0.6081   3.5467   0.8372   2.3941   0.8846  364.283   44.702  289.914   61.264 74.36887 75.83913 
1 1 1   17   42    9 o  530.625   34.349   7.6268   0.9305   8.0838   1.2714   7.0996   1.3656  549.563   44.999  511.687   51.908 37.87598 68.69781 
1 1 1   17   42   11 o  203.770   42.889   1.1914   0.4909   0.8995   0.7583   1.4020   0.6440  185.437   64.701  222.102   56.317 -36.66536 85.77790 
1 1 1   17   42   13 o  172.929   60.743   0.7676   0.6689   0.7676   0.6689   0.0000   0.0000  172.929   60.743  ?   ?       ?      ? 
1 1 1   17   42   15 o  246.687   45.363   1.7734   0.5803   1.7911   0.7990   1.7537   0.8441  248.443   62.584  244.930   65.684 3.513657 90.72603 
1 1 1   17   42   17 o  457.543   38.068   5.9541   0.8532   7.5778   1.1766   4.1530   1.2392  531.097   43.090  383.988   62.770 147.1088 76.13691 
1 1 1   17   42   19 o  554.620   46.047   9.3930   1.1222   4.8827   1.6142   13.612   1.5612  398.165   81.594  711.074   42.706 -312.9097 92.09468 
1 1 1   17   42   21 o  137.449   36.614   0.4124   0.3596   0.1633   0.5796   0.5683   0.4586  127.383   53.153  147.514   50.368 -20.13141 73.22740 
1 1 1   17   42   23 o  166.534   40.544   0.7477   0.4279   0.5345   0.6488   0.9118   0.5692  153.984   58.829  179.083   55.807 -25.09863 81.08808 
1 1 1   17   42   25 o  236.962   43.464   1.6953   0.5441   1.2959   0.7843   2.0657   0.7554  208.352   65.607  265.572   57.029 -57.22044 86.92810 
1 1 1   17   42   27 o  220.282   40.880   1.4457   0.4688   1.5196   0.6737   1.3763   0.6528  225.732   57.801  214.832   57.825 10.89990 81.75965 
1 1 1   17   42   29 o  638.000   45.637   12.604   1.3987   10.458   2.2661   13.925   1.7778  573.390   76.870  702.611   49.214 -129.2206 91.27470 
1 1 1   17   42   31 o  354.329   40.968   3.7903   0.7134   4.4234   0.9890   3.1037   1.0300  394.182   48.803  314.476   65.817 79.70593 81.93629 
1 1 1   17   43    0 o  805.630   68.203   17.815   2.7784   0.0000   0.0000   17.815   2.7784  805.630   68.203  805.630   68.203 0.000000 0.000000 
1 1 1   17   43    2 o  402.672   52.401   4.7337   1.0511   4.3405   1.5562   5.0635   1.4254  379.831   82.087  425.513   65.155 -45.68228 104.8016 
1 1 1   17   43    4 o  459.104   54.957   6.3454   1.2200   4.9981   1.8395   7.4035   1.6302  401.498   91.190  516.709   61.364 -115.2110 109.9144 
1 1 1   17   43    6 o  587.229   51.942   9.9718   1.5148   9.4156   2.4220   10.329   1.9414  564.925   83.390  609.533   61.952 -44.60809 103.8846 
1 1 1   17   43    8 o  297.011   43.133   2.6044   0.6923   4.4141   0.9839   0.8305   0.9741  404.663   47.293  189.359   72.148 215.3040 86.26700 
1 1 1   17   43   10 o  381.658   45.862   4.1989   0.8590   5.2338   1.2155   3.1666   1.2141  437.113   54.087  326.203   74.081 110.9099 91.72492 
1 1 1   17   43   12 o  158.563   44.220   0.4618   0.4665   0.4249   0.5324   0.5835   0.9677  141.152   53.445  175.974   70.464 -34.82135 88.43938 
1 1 1   17   43   14 o  279.396   38.799   2.1046   0.5414   2.9106   0.8524   1.5598   0.7009  326.355   50.805  232.437   58.653 93.91814 77.59700 
1 1 1   17   43   16 o  591.834   34.087   9.4869   1.0336   8.8634   1.3929   10.251   1.5419  570.837   47.463  612.831   48.939 -41.99396 68.17397 
1 1 1   17   43   18 o  588.682   35.175   9.6463   1.0443   10.515   1.3967   8.5447   1.5727  623.539   43.568  553.825   55.235 69.71442 70.34978 
1 1 1   17   43   20 o  623.538   37.513   10.810   1.2019   11.207   1.7338   10.442   1.6677  634.475   53.152  612.601   52.951 21.87494 75.02633 
1 1 1   17   43   22 o  161.932   38.021   0.6959   0.3863   0.3877   0.5504   0.9951   0.5423  138.132   53.809  185.730   53.729 -47.59807 76.04100 
1 1 1   17   43   24 o  283.006   40.413   2.4051   0.5909   3.7735   0.8470   1.1078   0.8247  370.736   44.440  195.276   67.513 175.4599 80.82630 
1 1 1   17   43   26 o  285.804   42.994   2.4438   0.6263   1.8770   0.8781   3.0307   0.8936  245.281   67.506  326.327   53.262 -81.04585 85.98793 
1 1 1   17   43   28 o  148.769   44.458   0.2326   0.5646   0.0000   0.7028   0.6559   0.9480  126.865   55.774  170.674   69.247 -43.80888 88.91512 
1 1 1   17   44    1 o  808.900   49.184   18.762   2.0259   16.417   2.9073   20.976   2.8246  752.850   75.111  864.951   63.519 -112.1013 98.36833 
1 1 1   17   44    3 o  943.368   48.969   25.202   2.3627   26.916   3.5642   23.859   3.1557  968.649   71.569  918.087   66.855 50.56177 97.93748 
1 1 1   17   44    5 o  589.277   42.681   9.7200   1.2761   10.033   1.6958   9.3117   1.9375  604.411   54.572  574.143   65.639 30.26782 85.36124 
1 1 1   17   44    7 o  198.706   41.964   1.1148   0.4568   1.1638   0.7102   1.0802   0.5965  202.263   62.226  195.148   56.321 7.114899 83.92894 
1 1 1   17   44    9 o  243.819   49.148   1.4969   0.5607   1.2519   0.6337   2.3808   1.2036  208.975   57.279  278.663   79.884 -69.68802 98.29684 
1 1 1   17   44   11 o  205.389   45.224   1.1793   0.5283   0.9550   0.6996   1.4768   0.8058  186.178   62.220  224.600   65.647 -38.42264 90.44768 
1 1 1   17   44   13 o  286.042   37.118   2.2739   0.5339   2.5137   0.7842   2.0667   0.7290  302.822   50.369  269.262   54.533 33.55972 74.23557 
1 1 1   17   44   15 o  142.858   35.927   0.4914   0.3233   0.5927   0.5303   0.4314   0.4078  152.742   54.041  132.974   47.354 19.76877 71.85304 
1 1 1   17   44   17 o  442.741   35.560   5.3905   0.8076   5.1204   1.0979   5.7089   1.1921  431.157   49.530  454.325   51.037 -23.16821 71.11953 
1 1 1   17   44   19 o  164.602   39.888   0.6551   0.4082   1.0773   0.6586   0.3917   0.5202  192.724   60.025  136.479   52.547 56.24496 79.77593 
1 1 1   17   44   21 o  217.362   42.779   1.2979   0.5173   2.1336   0.8125   0.7280   0.6709  267.919   60.424  166.805   60.572 101.1138 85.55712 
1 1 1   17   44   23 o  195.198   40.052   1.1210   0.4427   1.4901   0.6201   0.7372   0.6323  225.069   54.228  165.327   58.957 59.74174 80.10348 
1 1 1   17   44   25 o  305.508   42.354   2.8578   0.6508   4.2155   0.9317   1.5639   0.9095  388.558   46.638  222.458   70.713 166.1000 84.70845 
1 1 1   17   44   27 o  323.844   62.840   4.0667   1.1503   4.8551   1.4416   2.6852   1.9084  386.360   75.280  261.328  100.638 125.0316 125.6790 
1 1 1   17   45    0 o  297.982   71.627   3.1562   0.9658   3.0594   1.2247   3.3155   1.5705  300.725   90.824  295.238  110.783 -0.000000 0.000000 
1 1 1   17   45    2 o  179.940   40.279   0.8954   0.4363   0.5325   0.6475   1.1974   0.5906  155.208   58.895  204.671   54.965 -49.46347 80.55882 
1 1 1   17   45    4 o  460.627   38.553   5.8460   0.9118   6.2661   1.3238   5.4667   1.2577  476.629   54.022  444.625   55.018 32.00430 77.10561 
1 1 1   17   45    6 o  141.851   41.443   0.2934   0.4467   0.3827   0.5102   0.0000   0.9248  136.193   52.137  147.508   64.435 -11.31509 82.88624 
1 1 1   17   45    8 o  150.794   43.049   0.4301   0.4298   0.5091   0.4676   0.0000   1.0907  143.203   50.737  158.384   69.561 -15.18069 86.09866 
1 1 1   17   45   10 o  136.241   35.800   0.4202   0.3379   0.2491   0.5347   0.5339   0.4360  128.834   52.098  143.648   49.115 -14.81401 71.59981 
1 1 1   17   45   12 o  387.819   35.508   4.2098   0.6925   3.4009   1.0067   4.9364   0.9541  348.607   56.169  427.032   43.456 -78.42517 71.01635 
1 1 1   17   45   14 o  697.541   32.085   13.198   1.1474   14.577   1.6887   12.015   1.5640  731.640   44.894  663.441   45.851 68.19910 64.16988 
1 1 1   17   45   16 o  787.529   34.783   16.785   1.3817   19.002   2.2237   15.392   1.7635  825.262   52.409  749.797   45.746 75.46509 69.56591 
1 1 1   17   45   18 o  301.452   44.871   2.7027   0.6703   2.8527   1.0067   2.5833   0.8983  307.684   65.642  295.220   61.195 12.46375 89.74232 
1 1 1   17   45   20 o  211.599   41.257   1.3165   0.4761   1.7471   0.6906   0.9265   0.6571  243.288   56.324  179.909   60.301 63.37914 82.51414 
1 1 1   17   45   22 o  297.712   42.315   2.6350   0.6397   3.9532   0.9427   1.5098   0.8710  375.390   48.846  220.034   69.110 155.3566 84.62924 
1 1 1   17   45   24 o  180.311   41.463   0.9417   0.4373   1.1270   0.6732   0.8064   0.5752  192.999   60.780  167.623   56.413 25.37550 82.92580 
1 1 1   17   45   26 o  390.478   65.649   5.6405   1.2633   5.7151   1.5635   5.5001   2.1442  417.533   75.619  363.424  107.336 54.10876 131.2987 
1 1 1   17   46    1 o  251.700   41.464   1.8460   0.5683   0.9509   0.8064   2.7289   0.8010  187.868   66.626  315.532   49.375 -127.6636 82.92706 
1 1 1   17   46    3 o  493.830   38.801   6.7801   0.9832   6.8748   1.4390   6.6972   1.3465  495.978   56.431  491.682   53.268 4.295624 77.60149 
1 1 1   17   46    5 o  390.953   58.977   4.9717   1.0637   5.2758   1.2583   4.2101   1.9913  434.280   56.355  347.626  103.621 86.65366 117.9546 
1 1 1   17   46    7 o  614.017   52.585   10.822   1.5279   10.212   1.8214   12.271   2.8070  601.356   58.911  626.679   87.122 -25.32251 105.1704 
1 1 1   17   46    9 o  300.717   43.924   2.8719   0.6852   1.2479   1.0236   4.1907   0.9224  209.493   74.980  391.941   45.777 -182.4479 87.84892 
1 1 1   17   46   11 o  335.648   34.515   3.1007   0.5945   3.3668   0.8562   2.8529   0.8261  350.107   47.566  321.190   50.025 28.91705 69.02979 
1 1 1   17   46   13 o  276.478   38.518   2.0365   0.5308   3.3140   0.8622   1.2567   0.6736  346.445   48.407  206.511   59.928 139.9339 77.03606 
1 1 1   17   46   15 o  275.153   42.497   2.1928   0.5748   2.5326   0.9181   1.9738   0.7371  290.879   63.199  259.427   56.833 31.45139 84.99460 
1 1 1   17   46   17 o  434.397   35.332   5.3193   0.7809   4.6997   1.1337   5.8785   1.0771  407.044   54.174  461.749   45.370 -54.70441 70.66322 
1 1 1   17   46   19 o  298.150   42.235   2.7039   0.6317   3.5638   0.8819   1.7981   0.9052  357.139   48.030  239.161   69.487 117.9776 84.47073 
1 1 1   17   46   21 o  302.853   40.330   2.7640   0.6037   3.3544   0.8306   2.1030   0.8789  346.240   46.661  259.465   65.793 86.77505 80.66007 
1 1 1   17   46   23 o  270.862   44.366   2.2882   0.6047   2.1584   0.8966   2.3966   0.8191  260.594   66.653  281.130   58.574 -20.53647 88.73295 
1 1 1   17   47    0 o  575.423  100.398   10.312   2.6995   0.0000   0.0000   10.312   2.6995  575.423  100.398  575.423  100.398 -0.000000 0.000000 
1 1 1   17   47    2 o  155.282   45.803   0.2819   0.6156   0.0000   0.8516   0.5906   0.8910  140.889   61.680  169.675   67.728 -28.78638 91.60535 
1 1 1   17   47    4 o  593.117   59.113   11.157   1.5451   11.541   1.8486   10.267   2.8145  640.044   56.179  546.190  104.026 93.85303 118.2262 
1 1 1   17   47    6 o  243.292   44.380   1.7456   0.5628   2.1481   0.8322   1.4063   0.7640  269.334   61.458  217.250   64.041 52.08337 88.76001 
1 1 1   17   47    8 o  515.723   61.361   9.4256   1.3311   6.1857   2.4234   10.825   1.5929  406.418  112.265  625.028   49.570 -218.6099 122.7210 
1 1 1   17   47   10 o  236.369   48.097   1.8766   0.7414   2.6889   0.8875   0.0000   1.3490  302.735   59.142  170.003   75.865 132.7316 96.19379 
1 1 1   17   47   12 f  171.607   39.765   0.8432   0.4093   0.6259   0.6603   0.9788   0.5215  159.396   59.695  183.818   52.550 -24.42227 79.53003 
1 1 1   17   47   14 f  665.869   35.908   11.905   1.2002   15.242   1.9744   9.9495   1.5116  734.968   52.253  596.770   49.267 138.1974 71.81641 
1 1 1   17   47   16 o  300.120   37.582   2.5779   0.5657   2.9255   0.8296   2.2759   0.7734  322.424   50.049  277.816   56.077 44.60800 75.16372 
1 1 1   17   47   18 o  208.072   35.517   1.2153   0.4162   1.9888   0.6119   0.5495   0.5677  267.688   44.461  148.456   55.401 119.2318 71.03498 
1 1 1   17   47   20 o  140.582   36.856   0.4618   0.3664   0.7138   0.5204   0.2139   0.5161  158.740   53.657  122.424   50.542 36.31620 73.71281 
1 1 1   17   48    1 o  251.849   63.169   2.0811   1.0331   2.3226   1.4033   1.7952   1.5265  264.261   88.117  239.438   90.534 24.82295 126.3374 
1 1 1   17   48    3 o  264.739   51.984   2.3172   0.7257   1.7057   1.3518   2.5647   0.8602  233.958   85.821  295.520   58.687 -61.56174 103.9680 
1 1 1   17   48    5 o  222.235   47.765   1.0267   0.5578   2.7457   1.1542   0.5029   0.6371  294.071   75.844  150.399   58.083 143.6723 95.53018 
1 1 1   17   48    7 o  199.161   44.506   0.8132   0.4953   2.1376   0.9682   0.3438   0.5764  261.844   70.397  136.477   54.475 125.3672 89.01289 
1 1 1   17   48    9 f  306.122   44.031   2.6630   0.6778   3.8611   1.0690   1.8577   0.8764  367.147   56.633  245.098   67.436 122.0482 88.06239 
1 1 1   17   48   11 o  459.453   37.036   6.0310   0.8639   6.5834   1.1775   5.3871   1.2713  486.525   47.075  432.381   57.190 54.14420 74.07243 
1 1 1   17   48   13 o  312.609   39.120   2.9002   0.6000   2.2130   0.8681   3.5286   0.8302  268.592   63.809  356.626   45.277 -88.03421 78.24077 
1 1 1   17   48   15 o  117.933   32.945   0.2609   0.2955   0.2202   0.4344   0.2960   0.4030  116.405   46.998  119.462   46.181 -3.056931 65.89008 
1 1 1   17   48   17 o  316.900   38.284   2.9261   0.6102   3.1613   0.8919   2.7192   0.8367  331.543   52.326  302.258   55.899 29.28464 76.56853 
1 1 1   17   49    0 o  294.991   72.143   3.3386   0.9993   3.0006   1.5701   3.5687   1.2956  264.694  113.105  325.287   89.588 0.000000 0.000000 
1 1 1   17   49    2 f  259.819   45.688   2.0710   0.6112   1.7828   0.8604   2.3646   0.8685  239.698   67.143  279.941   61.979 -40.24292 91.37630 
1 1 1   17   49    4 o  232.442   44.473   1.6494   0.5558   1.2474   0.7829   2.0579   0.7892  203.131   65.719  261.753   59.938 -58.62173 88.94684 
1 1 1   17   49    6 o  268.874   44.952   2.2411   0.6163   1.8320   0.9025   2.5985   0.8435  241.367   69.170  296.382   57.429 -55.01474 89.90318 
1 1 1   17   49    8 o  460.811   41.225   6.1822   0.9713   6.1704   1.4456   6.1919   1.3114  457.399   61.472  464.223   54.948 -6.824036 82.45094 
1 1 1   17   49   10 o  502.964   36.819   7.1967   0.9501   6.6002   1.3129   7.8525   1.3767  480.049   53.195  525.878   50.919 -45.82822 73.63748 
1 1 1   17   49   12 o  474.419   36.462   6.4520   0.8843   6.6866   1.2068   6.1799   1.2996  486.756   48.224  462.083   54.704 24.67282 72.92482 
1 1 1   17   49   14 o  394.410   35.392   4.4114   0.7147   4.9964   1.0568   3.9185   0.9702  419.126   49.042  369.693   51.043 49.43274 70.78480 
1 1 1   17   50    1 o  173.723   42.598   0.8639   0.4642   0.9114   0.6703   0.8200   0.6435  177.256   60.886  170.190   59.592 7.065933 85.19570 
1 1 1   17   50    3 o  546.013   41.406   8.7074   1.1503   10.383   1.6798   7.2278   1.5784  599.852   54.467  492.173   62.378 107.6787 82.81121 
1 1 1   17   50    5 o  396.407   42.849   4.6495   0.8460   5.5409   1.2520   3.9008   1.1475  436.656   55.771  356.159   65.066 80.49710 85.69711 
1 1 1   17   50    7 o  470.515   41.929   6.6493   0.9896   5.6489   1.4737   7.4709   1.3354  429.503   66.737  511.527   50.778 -82.02408 83.85789 
1 1 1   17   50    9 o  342.531   47.456   3.9962   0.8241   1.8243   1.2176   5.8321   1.1195  231.328   81.886  453.734   47.989 -222.4060 94.91196 
1 1 1   17   50   11 o  278.172   42.496   2.3776   0.5899   2.3412   0.8242   2.4158   0.8447  276.165   59.781  280.178   60.415 -4.012329 84.99228 
1 1 1   17   51    0 o  166.429   61.192   1.0560   0.6693   1.8845   1.1565   0.6386   0.8208  205.199   96.924  127.660   74.723 0.000000 0.000000 
1 1 1   17   51    2 o  209.357   45.182   1.3590   0.5428   1.7622   0.7893   0.9975   0.7475  236.220   63.587  182.494   64.207 53.72641 90.36496 
1 1 1   18    0    0 o  1614.05   69.609   67.525   5.7519   67.525   5.7519   0.0000   0.0000  1614.05   69.609  1614.05   69.609 0.000000 0.000000 
1 1 1   18    0    2 o  1958.86   68.075   99.508   6.8370   0.0000   0.0000   99.508   6.8370  1958.86   68.075  1958.86   68.075 0.000000 0.000000 
1 1 1   18    0    4 o  449.424   73.525   5.6173   1.5623   0.0000   0.0000   5.6173   1.5623  449.424   73.525  449.424   73.525 0.000000 0.000000 
1 1 1   18    0    6 o  1308.71   45.833   43.990   3.0345   48.226   4.7175   41.000   3.9632  1361.47   67.779  1255.95   61.716 0.000000 0.000000 
1 1 1   18    0    8 o  1842.52   44.304   87.895   4.1038   87.842   5.3065   87.974   6.4733  1843.15   56.117  1841.88   68.574 -0.000000 0.000000 
1 1 1   18    0   10 o  553.005   49.269   8.5547   1.2563   9.6657   1.6412   6.9823   1.9525  605.358   53.704  500.653   82.617 -0.000000 0.000000 
1 1 1   18    0   12 o  128.597   45.555   0.6263   0.3785   0.4729   0.5746   0.7438   0.5030  116.242   64.748  140.952   64.099 0.000000 0.000000 
1 1 1   18    0   14 o  1174.64   40.508   35.686   2.4275   32.762   3.3226   39.035   3.5553  1122.73   57.913  1226.55   56.654 -0.000000 0.000000 
1 1 1   18    0   16 o  275.925   51.643   2.3266   0.6332   2.1159   0.8719   2.5618   0.9212  258.930   75.439  292.920   70.546 -0.000000 0.000000 
1 1 1   18    0   18 o  1149.67   39.911   34.385   2.3397   37.260   3.3139   31.527   3.3037  1198.51   54.031  1100.84   58.754 0.000000 0.000000 
1 1 1   18    0   20 o  1151.66   55.846   34.452   3.2889   34.452   3.2889   0.0000   0.0000  1151.66   55.846  1151.66   55.846 0.000000 0.000000 
1 1 1   18    0   22 o  1403.09   56.721   51.055   4.0765   0.0000   0.0000   51.055   4.0765  1403.09   56.721  1403.09   56.721 0.000000 0.000000 
1 1 1   18    0   24 f  253.150   53.310   2.0497   0.6065   1.8557   0.8650   2.2374   0.8506  235.733   79.750  270.568   70.766 -0.000000 0.000000 
1 1 1   18    0   26 o  427.684   46.859   5.0730   0.9454   4.4959   1.3337   5.6560   1.3404  398.868   72.009  456.499   59.982 0.000000 0.000000 
1 1 1   18    0   28 o  1629.31   40.504   68.937   3.3801   73.046   4.8224   64.968   4.7390  1677.56   56.056  1581.06   58.481 -0.000000 0.000000 
1 1 1   18    0   30 o  1196.53   41.042   37.379   2.5086   39.602   3.5749   35.223   3.5211  1232.23   56.702  1160.83   59.353 -0.000000 0.000000 
1 1 1   18    0   32 o  669.756   60.260   11.937   2.0364   11.937   2.0364   0.0000   0.0000  669.756   60.260  669.756   60.260 0.000000 0.000000 
1 1 1   18    0   34 o  1394.88   59.059   50.958   4.2181   0.0000   0.0000   50.958   4.2181  1394.88   59.059  1394.88   59.059 0.000000 0.000000 
1 1 1   18    0   36 o  122.068   45.605   0.5570   0.3868   0.6778   0.5522   0.4405   0.5421  132.542   66.321  111.594   62.615 -0.000000 0.000000 
1 1 1   18    0   38 o  510.260   46.723   7.2112   1.1569   7.6825   1.5931   6.6853   1.6829  531.576   60.294  488.943   71.393 0.000000 0.000000 
1 1 1   18    0   40 o  222.348   56.508   1.7338   0.5982   1.5087   0.8415   1.9639   0.8507  201.746   82.410  242.951   77.339 -0.000000 0.000000 
1 1 1   18    0   42 o  162.198   76.873   1.0331   0.7281   0.0000   0.0000   1.0331   0.7281  162.198   76.873  162.198   76.873 -0.000000 0.000000 
1 1 1   18    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   46 o  581.933   64.601   9.3792   1.8719   9.3792   1.8719   0.0000   0.0000  581.933   64.601  581.933   64.601 0.000000 0.000000 
1 1 1   18    0   48 o  1257.87   61.180   42.817   3.9352   0.0000   0.0000   42.817   3.9352  1257.87   61.180  1257.87   61.180 -0.000000 0.000000 
1 1 1   18    0   50 o  361.679   78.643   4.0373   1.2816   0.0000   0.0000   4.0373   1.2816  361.679   78.643  361.679   78.643 -0.000000 0.000000 
1 1 1   18    0   52 o  155.154   71.836   0.9717   0.6330   0.0000   0.0000   0.9717   0.6330  155.154   71.836  155.154   71.836 -0.000000 0.000000 
1 1 1   18    0   54 o   96.465   54.286   0.3520   0.4091   0.0000   0.0000   0.3520   0.4091   96.465   54.286   96.465   54.286 -0.000000 0.000000 
1 1 1   18    1    1 o  856.920   42.603   19.250   1.7606   19.685   2.1595   18.387   3.0404  872.794   48.125  841.047   70.314 31.74725 85.20640 
1 1 1   18    1    3 o  1512.52   66.810   59.388   5.1953   59.388   5.1953   0.0000   0.0000  1512.52   66.810  ?   ?       ?      ? 
1 1 1   18    1    5 o  957.836   47.435   23.789   2.3242   23.616   3.1288   24.002   3.4717  954.387   63.764  961.285   70.245 -6.897888 94.86965 
1 1 1   18    1    7 o  1070.59   36.352   29.427   1.9265   30.334   3.2112   28.918   2.4080  1082.65   57.690  1058.53   44.247 24.11963 72.70461 
1 1 1   18    1    9 o  774.834   30.112   15.487   1.1995   15.511   1.7032   15.463   1.6897  775.422   42.721  774.246   42.447 1.176575 60.22364 
1 1 1   18    1   11 o  489.518   29.607   6.1793   0.7451   6.1003   1.0465   6.2604   1.0611  486.349   41.853  492.687   41.890 -6.337524 59.21484 
1 1 1   18    1   13 f  684.167   28.806   12.067   1.0125   11.423   1.4190   12.734   1.4451  665.547   41.469  702.787   39.994 -37.24017 57.61251 
1 1 1   18    1   15 o  836.281   28.281   18.031   1.2159   17.893   1.7060   18.172   1.7333  833.057   39.833  839.505   40.158 -6.447571 56.56290 
1 1 1   18    1   17 o  1548.86   27.914   61.855   2.2227   61.392   3.1231   62.331   3.1641  1542.99   39.368  1554.72   39.584 -11.72888 55.82839 
1 1 1   18    1   19 o  778.460   34.229   15.768   1.2939   15.312   2.2149   16.005   1.5942  769.183   56.010  787.737   39.364 -18.55402 68.45863 
1 1 1   18    1   21 o  842.832   39.594   18.329   1.7157   18.329   1.7157   0.0000   0.0000  842.832   39.594  ?   ?       ?      ? 
1 1 1   18    1   23 f  977.452   28.202   24.662   1.4172   24.485   2.0025   24.839   2.0060  973.930   39.993  980.974   39.774 -7.044250 56.40403 
1 1 1   18    1   25 o  696.446   28.705   12.533   1.0275   12.156   1.4519   12.912   1.4543  685.891   41.173  707.002   40.009 -21.11090 57.40963 
1 1 1   18    1   27 o  395.515   30.023   4.0477   0.6104   4.0638   0.8574   4.0311   0.8693  396.337   42.076  394.694   42.838 1.643036 60.04619 
1 1 1   18    1   29 o  845.599   29.159   18.557   1.2628   16.591   1.7763   20.565   1.7955  799.933   43.192  891.264   39.185 -91.33057 58.31810 
1 1 1   18    1   31 f  1117.15   29.039   32.425   1.6656   34.315   2.3535   30.529   2.3575  1150.11   39.802  1084.18   42.294 65.93042 58.07737 
1 1 1   18    1   33 o  274.939   68.284   2.0836   0.9608   2.0836   0.9608   0.0000   0.0000  274.939   68.284  ?   ?       ?      ? 
1 1 1   18    1   35 o  125.095   31.404   0.3380   0.2568   0.2161   0.3502   0.4799   0.3777  111.748   43.090  138.442   45.696 -26.69431 62.80848 
1 1 1   18    1   37 o  245.222   33.887   1.6345   0.4119   1.6783   0.5820   1.5905   0.5830  248.753   47.232  241.691   48.606 7.061676 67.77422 
1 1 1   18    1   39 o  453.990   30.893   5.4408   0.7153   6.3012   1.0218   4.6143   1.0015  490.017   40.560  417.962   46.607 72.05539 61.78510 
1 1 1   18    1   41 o  490.224   37.693   6.2319   0.8959   5.8353   1.0844   7.0853   1.5905  469.359   44.936  511.089   60.529 -41.72998 75.38596 
1 1 1   18    1   43 o  459.549   63.251   5.8055   1.4944   5.8055   1.4944   0.0000   0.0000  459.549   63.251  ?   ?       ?      ? 
1 1 1   18    1   45 o  267.935   45.652   2.0712   0.6384   1.3852   0.8935   2.7865   0.9124  221.167   70.063  314.704   58.544 -93.53705 91.30328 
1 1 1   18    1   47 o  263.186   47.550   2.0330   0.6494   2.3208   0.9220   1.7497   0.9148  282.460   64.861  243.912   69.550 38.54826 95.10091 
1 1 1   18    1   49 o  216.106   46.770   1.3677   0.5706   1.5164   0.8068   1.2189   0.8071  226.565   65.536  205.647   66.745 20.91734 93.54084 
1 1 1   18    1   51 f  671.789   42.259   13.590   1.3267   15.089   1.6459   10.809   2.2417  744.261   43.013  599.317   72.753 144.9445 84.51723 
1 1 1   18    1   53 o  211.262   69.018   1.3824   0.8625   1.3824   0.8625   0.0000   0.0000  211.262   69.018  ?   ?       ?      ? 
1 1 1   18    2    0 o  520.672   76.937   7.4517   1.9275   0.0000   0.0000   7.4517   1.9275  520.672   76.937  520.672   76.937 -0.000000 0.000000 
1 1 1   18    2    2 o  699.740   68.931   12.719   2.4798   12.719   2.4798   0.0000   0.0000  699.740   68.931  ?   ?       ?      ? 
1 1 1   18    2    4 o  3183.73   65.943  262.996   10.794  262.996   10.794   0.0000   0.0000  3183.73   65.943  ?   ?       ?      ? 
1 1 1   18    2    6 o  235.339   43.329   1.5860   0.5185   1.8301   0.6196   1.0156   0.9470  262.185   47.727  208.493   72.331 53.69270 86.65751 
1 1 1   18    2    8 o  520.175   35.604   6.8191   0.9175   7.6182   1.5520   6.3899   1.1375  542.743   55.621  497.607   44.461 45.13626 71.20754 
1 1 1   18    2   10 o  1857.62   29.736   89.002   2.8398   89.010   4.0008   88.995   4.0316  1857.73   41.889  1857.52   42.216 0.2087402 59.47136 
1 1 1   18    2   12 o  2041.62   29.002  107.606   3.0404  110.814   4.2376  104.203   4.3647  2073.21   39.757  2010.03   42.236 63.17310 58.00426 
1 1 1   18    2   14 o  875.281   28.489   19.737   1.2815   19.099   1.7822   20.419   1.8439  860.653   40.277  889.909   40.303 -29.25580 56.97871 
1 1 1   18    2   16 o  679.540   28.215   11.929   0.9839   12.472   1.3726   11.355   1.4112  695.563   38.382  663.518   41.367 32.04449 56.43063 
1 1 1   18    2   18 o  514.258   34.032   6.7804   0.8615   7.0060   1.4553   6.6587   1.0689  520.452   54.389  508.065   40.922 12.38699 68.06453 
1 1 1   18    2   20 o  1203.83   34.800   37.903   2.0096   38.737   2.4521   36.196   3.5071  1225.48   38.920  1182.19   57.701 43.28418 69.60014 
1 1 1   18    2   22 o  148.262   38.878   0.4388   0.3926   0.4430   0.5863   0.4354   0.5287  150.704   56.288  145.819   53.644 4.884995 77.75628 
1 1 1   18    2   24 o  685.081   28.587   12.139   1.0040   13.267   1.4249   11.026   1.4148  716.873   38.661  653.290   42.122 63.58258 57.17479 
1 1 1   18    2   26 o  1403.60   28.319   50.933   2.0417   53.493   2.8897   48.380   2.8852  1439.02   39.058  1368.18   41.017 70.83606 56.63824 
1 1 1   18    2   28 o  614.452   29.137   9.7831   0.9184   9.0023   1.2941   10.576   1.3037  589.568   42.693  639.336   39.663 -49.76776 58.27350 
1 1 1   18    2   30 o  555.165   29.571   7.9957   0.8438   7.7797   1.1906   8.2137   1.1961  547.575   42.293  562.754   41.340 -15.17896 59.14120 
1 1 1   18    2   32 o  798.947   41.541   16.790   1.7043   17.525   2.3941   16.035   2.4268  817.196   56.984  780.698   60.461 36.49835 83.08244 
1 1 1   18    2   34 o  1141.71   36.427   34.560   2.0033   33.147   3.4656   35.268   2.4549  1119.75   60.199  1163.66   41.034 -43.91150 72.85445 
1 1 1   18    2   36 o  158.005   33.750   0.6616   0.2980   0.7171   0.4175   0.6040   0.4253  163.423   47.111  152.587   48.340 10.83586 67.49964 
1 1 1   18    2   38 o  448.241   42.472   5.8166   0.8472   6.4702   1.0342   4.4826   1.4775  496.996   40.473  399.485   74.682 97.51132 84.94377 
1 1 1   18    2   40 f  249.077   48.975   1.7499   0.6529   1.5243   0.9127   1.9862   0.9343  233.535   70.274  264.620   68.234 -31.08525 97.95013 
1 1 1   18    2   42 o  388.042   46.793   4.2323   0.8910   3.0786   1.2370   5.4766   1.2846  325.660   75.371  450.423   55.474 -124.7623 93.58520 
1 1 1   18    2   44 o  1142.54   43.805   35.931   2.5731   36.039   3.6374   35.823   3.6406  1144.41   61.821  1140.67   62.078 3.740845 87.61014 
1 1 1   18    2   46 o  445.781   47.141   5.6488   1.0390   6.7809   1.4911   4.5802   1.4486  496.100   58.461  395.463   73.969 100.6371 94.28194 
1 1 1   18    2   48 o  383.696   47.899   4.2760   0.9087   3.2526   1.2598   5.3857   1.3119  327.617   76.228  439.774   58.022 -112.1572 95.79803 
1 1 1   18    2   50 o  695.301   45.701   13.972   1.6277   12.667   2.2912   15.302   2.3127  658.852   67.641  731.749   61.473 -72.89661 91.40207 
1 1 1   18    2   52 f  437.041   46.862   5.2930   1.0530   5.2930   1.0530   0.0000   0.0000  437.041   46.862  ?   ?       ?      ? 
1 1 1   18    2   54 o  129.342   35.939   0.3443   0.3476   0.3516   0.5275   0.3388   0.4620  132.009   52.297  126.675   49.311 5.333588 71.87856 
1 1 1   18    3    1 o  217.450   42.158   1.3412   0.4969   0.7153   0.8581   1.6568   0.6094  186.004   68.355  248.896   49.365 -62.89270 84.31680 
1 1 1   18    3    3 o  1174.85   46.683   35.778   2.8175   36.685   4.0847   34.956   3.8914  1188.90   66.826  1160.81   65.204 28.09509 93.36618 
1 1 1   18    3    5 o  465.015   33.036   5.6005   0.7870   5.3363   1.1454   5.8367   1.0832  454.493   49.017  475.537   44.304 -21.04407 66.07155 
1 1 1   18    3    7 o  411.022   38.327   3.8637   0.7585   2.9743   0.9008   6.0300   1.4059  339.253   51.647  482.790   56.642 -143.5366 76.65305 
1 1 1   18    3    9 o  1353.41   45.170   47.933   3.0774   50.075   4.0192   44.899   4.7841  1391.51   56.181  1315.32   70.745 76.18359 90.33915 
1 1 1   18    3   11 o  819.040   29.429   17.284   1.2382   16.338   1.7246   18.289   1.7790  795.916   42.145  842.164   41.086 -46.24774 58.85849 
1 1 1   18    3   13 o  1554.03   28.735   62.387   2.2907   64.478   3.1698   60.102   3.3140  1581.52   38.984  1526.54   42.226 54.97864 57.46994 
1 1 1   18    3   15 o  562.230   28.463   8.1383   0.8213   7.4805   1.1392   8.8499   1.1850  538.578   41.143  585.883   39.341 -47.30475 56.92539 
1 1 1   18    3   17 o  689.325   28.511   12.301   1.0066   13.189   1.4014   11.354   1.4468  715.252   38.108  663.398   42.418 51.85333 57.02229 
1 1 1   18    3   19 o  992.158   39.415   25.465   2.0085   23.913   2.8093   27.088   2.8725  961.111   56.854  1023.21   54.605 -62.09357 78.82943 
1 1 1   18    3   21 o  384.957   29.486   3.8390   0.5801   3.3500   0.8187   4.3320   0.8221  360.150   44.216  409.763   39.022 -49.61276 58.97266 
1 1 1   18    3   23 o  1139.71   40.114   33.767   2.3419   30.588   3.3222   36.908   3.3018  1085.76   59.514  1193.67   53.802 -107.9127 80.22861 
1 1 1   18    3   25 o  1548.12   28.223   61.914   2.2461   62.776   3.1755   61.051   3.1776  1558.95   39.619  1537.28   40.204 21.67407 56.44519 
1 1 1   18    3   27 o  1659.18   28.433   71.189   2.4253   71.869   3.4318   70.510   3.4281  1667.14   40.039  1651.22   40.381 15.91455 56.86584 
1 1 1   18    3   29 o  1036.93   28.792   27.860   1.5345   28.740   2.1735   26.986   2.1666  1053.37   40.133  1020.49   41.295 32.88110 57.58475 
1 1 1   18    3   31 o  1068.58   35.154   29.656   1.8322   30.173   3.1423   29.390   2.2553  1073.22   56.949  1063.95   41.230 9.268555 70.30756 
1 1 1   18    3   33 o  540.941   38.544   7.9902   0.9791   8.5287   1.1916   6.8712   1.7177  572.653   40.473  509.229   65.609 63.42310 77.08835 
1 1 1   18    3   35 o  533.508   43.475   7.5590   1.1923   7.4244   1.6881   7.6930   1.6842  528.591   62.118  538.425   60.841 -9.834167 86.94923 
1 1 1   18    3   37 o  622.710   37.559   10.371   1.1229   10.575   1.3725   9.9583   1.9528  635.454   42.010  609.967   62.272 25.48669 75.11715 
1 1 1   18    3   39 o  242.774   41.522   1.7224   0.5001   1.9369   0.5970   1.2178   0.9157  271.331   42.797  214.217   71.167 57.11310 83.04427 
1 1 1   18    3   41 o  662.299   37.816   11.842   1.2015   11.993   1.4660   11.533   2.0971  673.941   42.310  650.657   62.691 23.28345 75.63294 
1 1 1   18    3   43 o  227.963   50.613   1.4455   0.5777   1.4455   0.5777   0.0000   0.0000  227.963   50.613  ?   ?       ?      ? 
1 1 1   18    3   45 o  329.327   47.897   3.1260   0.7839   3.1582   1.1156   3.0947   1.1016  330.987   67.838  327.667   67.635 3.319580 95.79409 
1 1 1   18    3   47 o  191.679   36.865   1.0613   0.3525   1.1279   0.4129   0.8823   0.6771  202.262   41.110  181.095   61.207 21.16728 73.73096 
1 1 1   18    3   49 o  627.125   38.894   10.992   1.1811   11.121   1.4566   10.745   2.0183  640.956   44.202  613.295   64.009 27.66174 77.78808 
1 1 1   18    3   51 o  143.844   36.907   0.4773   0.3270   0.4106   0.3884   0.6401   0.6063  129.250   46.193  158.437   57.575 -29.18718 73.81480 
1 1 1   18    3   53 o  183.438   36.943   0.8274   0.3888   0.3421   0.4885   1.6661   0.6421  129.375   50.609  237.501   53.831 -108.1260 73.88534 
1 1 1   18    4    0 o   85.498   47.026   0.2605   0.2988   0.2605   0.2988   0.0000   0.0000   85.498   47.026   85.498   47.026 0.000000 0.000000 
1 1 1   18    4    2 o  1509.94   47.768   59.248   3.7031   57.546   5.3306   60.836   5.1480  1488.50   69.656  1531.39   65.386 -42.88904 95.53676 
1 1 1   18    4    4 f  1707.58   39.682   74.330   3.2554   78.568   5.8096   72.390   3.9304  1740.67   64.917  1674.50   45.655 66.17407 79.36340 
1 1 1   18    4    6 o  878.711   32.499   20.135   1.4523   18.077   2.1448   21.878   1.9736  836.486   49.873  920.936   41.683 -84.45032 64.99836 
1 1 1   18    4    8 o  2284.95   30.870  134.850   3.6217  131.236   5.2143  138.219   5.0341  2255.08   44.974  2314.81   42.300 -59.73071 61.74092 
1 1 1   18    4   10 o  1197.57   44.488   37.348   2.6902   38.315   3.5160   35.982   4.1782  1217.27   56.181  1177.87   68.996 39.39905 88.97633 
1 1 1   18    4   12 o  2149.98   28.979  119.350   3.1966  122.016   4.4119  116.403   4.6380  2175.53   39.445  2124.42   42.464 51.11328 57.95769 
1 1 1   18    4   14 o  659.267   28.536   11.179   0.9660   10.550   1.3286   11.884   1.4071  639.650   40.399  678.883   40.313 -39.23260 57.07238 
1 1 1   18    4   16 o  2723.67   34.524  194.406   4.6030  182.065   7.6721  201.347   5.7536  2653.06   56.247  2794.27   40.050 -141.2097 69.04826 
1 1 1   18    4   18 o  777.497   39.488   15.637   1.5782   15.343   2.2089   15.944   2.2556  770.026   55.796  784.968   55.892 -14.94147 78.97525 
1 1 1   18    4   20 o  2537.25   28.033  166.107   3.6558  167.218   5.1223  164.953   5.2193  2546.01   39.132  2528.48   40.150 17.53418 56.06575 
1 1 1   18    4   22 o  756.056   34.638   14.755   1.2652   14.701   1.5436   14.866   2.2084  754.715   39.781  757.398   56.714 -2.683289 69.27511 
1 1 1   18    4   24 f  1372.88   34.465   48.287   2.3019   50.331   3.9946   47.271   2.8166  1392.94   55.780  1352.83   40.496 40.11206 68.93000 
1 1 1   18    4   26 o  1201.71   28.388   37.322   1.7539   37.465   2.4739   37.177   2.4868  1204.06   39.964  1199.36   40.329 4.697388 56.77652 
1 1 1   18    4   28 o  557.572   29.149   8.0492   0.8355   7.9145   1.1785   8.1854   1.1847  552.858   41.461  562.286   40.982 -9.428345 58.29709 
1 1 1   18    4   30 o  1015.10   35.480   27.019   1.7481   26.306   2.9942   27.388   2.1532  1002.58   58.089  1027.64   40.755 -25.06097 70.95929 
1 1 1   18    4   32 o  376.744   43.397   3.6938   0.8406   3.6938   0.8406   0.0000   0.0000  376.744   43.397  ?   ?       ?      ? 
1 1 1   18    4   34 o  956.892   41.865   24.227   2.0552   22.451   2.9058   26.005   2.9073  920.778   61.383  993.006   56.946 -72.22803 83.72984 
1 1 1   18    4   36 o  1604.73   35.991   67.891   2.7998   67.944   3.4349   67.785   4.8331  1612.33   41.437  1597.13   58.859 15.20386 71.98233 
1 1 1   18    4   38 o  883.420   36.951   20.890   1.5709   21.256   1.9232   20.158   2.7230  900.202   41.553  866.637   61.113 33.56531 73.90211 
1 1 1   18    4   40 o  167.195   39.403   0.7325   0.3834   0.8221   0.4523   0.5038   0.7227  173.432   48.717  160.958   61.945 12.47385 78.80698 
1 1 1   18    4   42 o  397.529   62.224   4.3214   1.2717   4.3214   1.2717   0.0000   0.0000  397.529   62.224  ?   ?       ?      ? 
1 1 1   18    4   44 o  422.179   42.265   5.4806   0.7304   6.0902   0.8574   3.8680   1.3944  481.395   34.642  362.964   77.105 118.4315 84.52967 
1 1 1   18    4   46 o  348.765   39.884   3.4807   0.5809   3.5763   0.6680   3.1838   1.1767  368.154   35.291  329.377   71.537 38.77686 79.76816 
1 1 1   18    4   48 o  167.777   35.790   0.7999   0.3157   0.8643   0.3639   0.6043   0.6344  176.382   40.924  159.173   58.729 17.20909 71.58094 
1 1 1   18    4   50 o  153.760   53.939   0.6138   0.5274   0.6138   0.5274   0.0000   0.0000  153.760   53.939  ?   ?       ?      ? 
1 1 1   18    4   52 o  138.135   47.565   0.5017   0.4092   0.5017   0.4092   0.0000   0.0000  138.135   47.565  ?   ?       ?      ? 
1 1 1   18    4   54 o  352.608   49.934   3.9704   0.8856   3.1611   1.2532   4.7776   1.2515  305.494   79.152  399.721   60.898 -94.22702 99.86785 
1 1 1   18    5    1 o  1821.66   42.179   85.351   3.7123   87.665   6.5087   84.235   4.5194  1837.58   68.894  1805.73   48.681 31.85352 84.35739 
1 1 1   18    5    3 o  1255.71   45.676   40.755   2.9361   42.191   4.3901   39.592   3.9494  1275.27   66.958  1236.15   62.142 39.11914 91.35133 
1 1 1   18    5    5 o  938.808   32.000   22.654   1.5395   23.881   2.2919   21.646   2.0781  961.769   46.350  915.847   44.133 45.92169 64.00060 
1 1 1   18    5    7 o  311.626   33.313   2.5798   0.5126   2.1650   0.7456   2.9516   0.7058  284.945   52.844  338.307   40.577 -53.36227 66.62566 
1 1 1   18    5    9 o  1428.24   30.363   52.649   2.2282   50.758   3.1623   54.513   3.1400  1402.65   43.851  1453.82   42.010 -51.17542 60.72699 
1 1 1   18    5   11 o  833.138   43.409   17.785   1.8380   16.837   2.3977   19.136   2.8623  806.818   57.803  859.457   64.778 -52.63959 86.81780 
1 1 1   18    5   13 o  2767.27   28.677  197.632   4.0674  199.813   5.5560  195.113   5.9707  2784.09   38.816  2750.45   42.223 33.64429 57.35398 
1 1 1   18    5   15 o  1266.51   34.407   41.664   2.1541   40.529   3.5505   42.325   2.7097  1251.97   55.161  1281.06   41.142 -29.09058 68.81445 
1 1 1   18    5   17 o  449.209   40.040   5.2400   0.9210   5.7137   1.2923   4.7511   1.3128  470.071   53.471  428.346   59.613 41.72430 80.08099 
1 1 1   18    5   19 o  775.810   28.364   15.535   1.1304   15.752   1.5743   15.304   1.6243  781.459   39.184  770.161   41.021 11.29822 56.72832 
1 1 1   18    5   21 o  326.637   30.204   2.7613   0.5016   2.2503   0.6970   3.3101   0.7223  295.108   45.941  358.165   39.226 -63.05627 60.40884 
1 1 1   18    5   23 o  1651.63   34.282   69.536   2.7475   67.522   3.3468   73.697   4.8114  1617.14   40.255  1686.12   55.503 -68.98254 68.56404 
1 1 1   18    5   25 o  935.931   28.474   22.638   1.3696   23.334   1.9366   21.940   1.9373  950.416   39.634  921.445   40.894 28.97070 56.94836 
1 1 1   18    5   27 o  1722.65   28.481   76.761   2.5224   76.959   3.5637   76.561   3.5709  1724.91   40.185  1720.39   40.372 4.515625 56.96214 
1 1 1   18    5   29 o  596.184   37.710   9.7173   1.0606   10.579   1.3034   8.0289   1.8247  639.045   39.670  553.322   64.143 85.72302 75.41946 
1 1 1   18    5   31 o  1192.00   40.858   36.894   2.5039   36.894   2.5039   0.0000   0.0000  1192.00   40.858  ?   ?       ?      ? 
1 1 1   18    5   33 o  1222.54   34.893   37.927   2.0854   35.494   2.5437   42.915   3.6419  1167.37   42.382  1277.71   55.441 -110.3354 69.78503 
1 1 1   18    5   35 o  232.820   48.394   1.4793   0.6182   1.3849   0.8660   1.5773   0.8828  226.120   68.548  239.520   68.331 -13.39964 96.78878 
1 1 1   18    5   37 o  489.739   36.848   5.7736   0.8831   4.4938   1.0689   8.5253   1.5673  412.442   50.407  567.036   53.762 -154.5939 73.69680 
1 1 1   18    5   39 o  145.602   37.715   0.3782   0.3411   0.2369   0.4014   0.7455   0.6472  118.102   45.965  173.102   59.808 -54.99979 75.43059 
1 1 1   18    5   41 o  183.458   43.132   0.8788   0.4762   0.9856   0.6892   0.7812   0.6588  191.454   61.629  175.461   60.360 15.99335 86.26387 
1 1 1   18    5   43 o  418.889   34.866   4.3626   0.6585   4.0233   0.7543   5.4501   1.3504  390.773   37.546  447.005   58.760 -56.23285 69.73133 
1 1 1   18    5   45 o  498.841   37.034   6.3156   0.9062   5.3986   1.0995   8.2583   1.6004  448.205   47.715  549.476   56.651 -101.2714 74.06798 
1 1 1   18    5   47 o  306.759   37.622   2.4566   0.5108   2.2850   0.5897   2.9720   1.0221  292.974   39.151  320.543   64.256 -27.56949 75.24398 
1 1 1   18    5   49 o  246.593   38.868   2.1640   0.4780   2.6824   0.5525   0.6196   0.9536  318.054   33.785  175.132   70.011 142.9220 77.73641 
1 1 1   18    5   51 o  222.913   50.268   1.4302   0.5624   1.4302   0.5624   0.0000   0.0000  222.913   50.268  ?   ?       ?      ? 
1 1 1   18    5   53 o  210.803   40.893   1.3270   0.4365   1.3186   0.5267   1.3455   0.7802  212.748   49.140  208.858   65.378 3.890030 81.78614 
1 1 1   18    6    0 o  260.651   62.727   2.0270   0.7289   2.0270   0.7289   0.0000   0.0000  260.651   62.727  260.651   62.727 0.000000 0.000000 
1 1 1   18    6    2 o  277.621   49.035   2.0612   0.6965   2.3111   1.0364   1.8553   0.9406  292.606   69.859  262.636   68.828 29.97021 98.06915 
1 1 1   18    6    4 o  392.568   45.956   4.4260   0.7872   3.3018   1.4429   4.9023   0.9393  349.200   81.802  435.937   41.908 -86.73685 91.91196 
1 1 1   18    6    6 f  315.259   32.915   2.5739   0.5300   2.4869   0.7884   2.6456   0.7160  310.302   49.418  320.217   43.490 -9.915710 65.82970 
1 1 1   18    6    8 o  1607.16   40.499   64.867   3.0712   62.102   3.6401   71.698   5.7213  1551.25   45.642  1663.07   66.914 -111.8152 80.99828 
1 1 1   18    6   10 o  1554.12   29.751   62.265   2.3764   61.207   3.3128   63.386   3.4109  1540.56   41.826  1567.68   42.320 -27.12219 59.50133 
1 1 1   18    6   12 o  663.957   43.193   11.255   1.4610   10.320   1.9152   12.557   2.2595  631.579   58.983  696.336   63.114 -64.75641 86.38512 
1 1 1   18    6   14 o  641.496   34.341   10.568   1.1006   10.872   1.7924   10.384   1.3945  648.541   53.755  634.452   42.752 14.08856 68.68296 
1 1 1   18    6   16 o  250.396   36.688   1.7107   0.4379   1.8268   0.5356   1.4768   0.7602  266.169   39.140  234.624   62.065 31.54486 73.37549 
1 1 1   18    6   18 f  1577.35   28.224   64.130   2.2870   63.065   3.1599   65.302   3.3141  1563.68   39.306  1591.01   40.515 -27.33289 56.44859 
1 1 1   18    6   20 o  1944.13   28.234   97.478   2.8212   95.705   3.9285   99.366   4.0539  1925.93   39.675  1962.33   40.182 -36.40271 56.46893 
1 1 1   18    6   22 o  924.846   28.562   22.114   1.3559   23.252   1.9021   20.939   1.9334  949.196   38.976  900.496   41.761 48.70026 57.12410 
1 1 1   18    6   24 o  1123.40   40.512   32.775   2.3359   30.365   3.2809   35.251   3.3264  1081.18   59.024  1165.63   55.506 -84.44690 81.02312 
1 1 1   18    6   26 o  887.109   34.265   19.882   1.4818   18.855   1.8055   22.002   2.5938  853.903   41.126  920.315   54.819 -66.41241 68.53091 
1 1 1   18    6   28 o  532.408   35.810   7.3016   0.9271   7.1622   1.1345   7.5817   1.6083  525.776   41.969  539.040   58.034 -13.26398 71.61926 
1 1 1   18    6   30 f  1429.02   57.494   53.465   4.2241   53.465   4.2241   0.0000   0.0000  1429.02   57.494  ?   ?       ?      ? 
1 1 1   18    6   32 o  704.599   38.028   13.688   1.2601   14.963   1.5479   11.182   2.1694  758.896   39.674  650.303   64.888 108.5925 76.05527 
1 1 1   18    6   34 o  684.530   36.491   12.191   1.2061   11.966   1.4667   12.661   2.1197  677.332   42.117  691.728   59.604 -14.39557 72.98252 
1 1 1   18    6   36 o  703.657   32.420   11.900   1.0350   10.802   1.1858   15.414   2.1211  644.101   35.807  763.214   54.055 -119.1132 64.83932 
1 1 1   18    6   38 o  306.585   40.326   2.7293   0.5307   2.9099   0.6161   2.2100   1.0449  333.848   35.894  279.323   72.224 54.52499 80.65117 
1 1 1   18    6   40 o  272.074   48.466   2.0542   0.6763   1.6742   0.8905   2.5722   1.0397  243.310   68.357  300.837   68.726 -57.52684 96.93256 
1 1 1   18    6   42 o  301.347   38.049   2.3911   0.5895   2.3911   0.5895   0.0000   0.0000  301.347   38.049  ?   ?       ?      ? 
1 1 1   18    6   44 o  139.526   33.731   0.5000   0.2780   0.5734   0.3212   0.2812   0.5547  145.078   41.160  133.975   53.451 11.10368 67.46195 
1 1 1   18    6   46 f  280.970   40.525   2.8334   0.5342   3.5618   0.6259   0.8803   1.0249  367.895   33.090  194.045   73.988 173.8503 81.05061 
1 1 1   18    6   48 o  313.404   41.472   2.9588   0.5499   3.1271   0.6339   2.4471   1.1056  343.156   35.932  283.652   74.756 59.50339 82.94336 
1 1 1   18    6   50 o  327.403   50.429   3.2470   0.8257   2.7502   1.1273   3.8220   1.2127  297.943   73.943  356.864   68.590 -58.92053 100.8574 
1 1 1   18    6   52 o  591.164   35.119   9.0224   0.9451   8.1899   1.0873   11.595   1.9113  549.679   38.474  632.649   58.763 -82.96948 70.23711 
1 1 1   18    6   54 o  185.915   45.086   1.0431   0.5192   1.0546   0.7577   1.0328   0.7129  186.820   64.703  185.011   62.804 1.809219 90.17126 
1 1 1   18    7    1 o  635.252   42.299   10.366   1.2923   10.678   2.2876   10.220   1.5662  641.438   69.367  629.066   48.427 12.37213 84.59841 
1 1 1   18    7    3 o  824.929   44.181   17.612   1.8372   17.706   2.9016   17.549   2.3735  826.152   68.313  823.706   56.047 2.446106 88.36241 
1 1 1   18    7    5 o  550.861   41.643   8.1510   1.0515   7.1773   1.9401   8.5561   1.2513  525.792   71.770  575.930   42.258 -50.13800 83.28655 
1 1 1   18    7    7 o  765.287   31.817   15.141   1.2476   14.735   1.8276   15.495   1.7072  755.524   47.051  775.050   42.844 -19.52612 63.63482 
1 1 1   18    7    9 o  904.216   30.377   21.089   1.4121   20.861   1.9891   21.320   2.0051  899.284   43.021  909.147   42.898 -9.863159 60.75399 
1 1 1   18    7   11 o  972.638   29.270   24.344   1.4613   23.526   1.9998   25.282   2.1407  955.187   40.721  990.089   42.055 -34.90192 58.53935 
1 1 1   18    7   13 o  850.056   42.530   18.639   1.8587   0.0000   0.0000   18.639   1.8587  ?   ?   850.056   42.530      ?      ? 
1 1 1   18    7   15 o  1575.22   33.940   64.039   2.5775   63.968   3.1402   64.185   4.5123  1575.13   38.777  1575.31   55.714 -0.1835938 67.87969 
1 1 1   18    7   17 o  1702.89   28.490   74.858   2.4885   75.695   3.4155   73.912   3.6331  1713.26   38.776  1692.53   41.752 20.73279 56.98059 
1 1 1   18    7   19 o  1780.02   28.356   81.709   2.5928   80.796   3.5852   82.709   3.7542  1769.72   39.403  1790.32   40.786 -20.59583 56.71118 
1 1 1   18    7   21 o  478.547   37.917   6.1626   0.8387   6.5035   1.0049   5.3803   1.5225  502.024   38.935  455.070   65.076 46.95407 75.83417 
1 1 1   18    7   23 o  659.072   37.913   11.916   1.1619   13.027   1.4146   9.6121   2.0370  710.354   38.735  607.790   65.187 102.5643 75.82692 
1 1 1   18    7   25 o  570.672   42.224   8.4886   1.2324   9.5377   1.7520   7.4608   1.7341  606.032   56.229  535.310   63.007 70.72205 84.44828 
1 1 1   18    7   27 f  878.656   35.483   20.040   1.5014   20.020   1.8278   20.082   2.6323  879.557   40.421  877.756   58.330 1.800476 70.96646 
1 1 1   18    7   29 o  715.997   57.472   13.403   2.1156   13.403   2.1156   0.0000   0.0000  715.997   57.472  ?   ?       ?      ? 
1 1 1   18    7   31 o  636.344   42.787   10.797   1.3662   13.500   1.9375   8.1245   1.9266  718.451   52.453  554.237   67.613 164.2142 85.57397 
1 1 1   18    7   33 o  429.410   40.989   5.4644   0.7126   5.9890   0.8271   3.9537   1.4035  480.617   33.473  378.202   74.832 102.4151 81.97710 
1 1 1   18    7   35 o  871.659   37.104   20.249   1.5544   20.677   1.9020   19.390   2.6974  889.718   41.581  853.601   61.465 36.11639 74.20842 
1 1 1   18    7   37 o  211.559   40.401   1.1087   0.3830   1.0218   0.4285   1.4539   0.8543  193.550   44.054  229.568   67.736 -36.01768 80.80164 
1 1 1   18    7   39 o  507.870   34.646   6.4752   0.7905   6.1087   0.9070   7.6335   1.6126  483.144   36.515  532.597   58.891 -49.45288 69.29291 
1 1 1   18    7   41 o  245.451   50.849   1.6659   0.6206   1.6659   0.6206   0.0000   0.0000  245.451   50.849  ?   ?       ?      ? 
1 1 1   18    7   43 o  429.909   40.827   5.4096   0.7261   5.7417   0.8422   4.4478   1.4332  467.459   35.041  392.358   73.754 75.10147 81.65479 
1 1 1   18    7   45 o  470.757   37.242   5.8253   0.8590   5.4066   1.0503   6.6714   1.4930  449.240   45.474  492.274   58.992 -43.03363 74.48457 
1 1 1   18    7   47 o  209.302   38.062   1.1240   0.3621   1.0098   0.4120   1.5116   0.7591  190.518   43.077  228.087   62.763 -37.56903 76.12344 
1 1 1   18    7   49 o  458.568   37.577   5.7595   0.7540   5.6896   0.8650   5.9810   1.5387  461.852   36.429  455.284   65.736 6.568237 75.15482 
1 1 1   18    7   51 f  363.566   36.222   3.5491   0.6771   3.5491   0.6771   0.0000   0.0000  363.566   36.222  ?   ?       ?      ? 
1 1 1   18    7   53 o  133.089   32.393   0.1838   0.2363   0.0000   0.2610   1.0208   0.5568   80.738   34.751  185.440   54.677 -104.7021 64.78626 
1 1 1   18    8    0 o  933.878   49.810   22.663   2.3760   22.663   2.3760   0.0000   0.0000  933.878   49.810  933.878   49.810 0.000000 0.000000 
1 1 1   18    8    2 o  364.460   41.882   3.3617   0.7031   3.8312   1.3085   3.1712   0.8337  378.420   69.828  350.500   46.265 27.92020 83.76389 
1 1 1   18    8    4 o  1993.04   40.014  102.816   3.7069  102.546   6.9166  102.925   4.3907  1988.60   67.651  1997.48   42.754 -8.879639 80.02857 
1 1 1   18    8    6 o  868.793   32.278   19.466   1.4350   19.614   2.1390   19.344   1.9351  871.645   47.730  865.941   43.466 5.704163 64.55587 
1 1 1   18    8    8 o  1228.76   31.111   38.952   1.9648   38.958   2.8150   38.948   2.7435  1228.79   44.559  1228.74   43.429 0.4760742E-01 62.22212 
1 1 1   18    8   10 o  1033.23   35.726   27.802   1.8243   26.719   2.9985   28.439   2.2986  1016.42   57.381  1050.05   42.578 -33.63391 71.45214 
1 1 1   18    8   12 o  1749.11   54.050   79.078   4.8605   79.078   4.8605   0.0000   0.0000  1749.11   54.050  ?   ?       ?      ? 
1 1 1   18    8   14 o  791.698   39.634   16.213   1.6129   15.828   2.2797   16.600   2.2824  782.212   56.686  801.183   55.409 -18.97089 79.26880 
1 1 1   18    8   16 o  1500.40   37.254   58.327   2.5635   58.477   3.0117   57.933   4.8840  1505.87   38.901  1494.92   63.546 10.94751 74.50713 
1 1 1   18    8   18 o  715.096   38.597   13.808   1.2539   14.549   1.4860   11.974   2.3364  751.074   38.484  679.117   66.917 71.95673 77.19361 
1 1 1   18    8   20 o  426.067   38.373   4.8440   0.7533   5.0424   0.8969   4.3692   1.3877  442.048   39.466  410.087   65.820 31.96063 76.74519 
1 1 1   18    8   22 o  358.310   35.430   3.0886   0.6133   2.6919   0.7322   4.0215   1.1228  322.746   44.124  393.875   55.445 -71.12979 70.85924 
1 1 1   18    8   24 o  624.549   37.963   10.723   1.0994   11.727   1.3362   8.6198   1.9342  673.850   38.570  575.249   65.398 98.60095 75.92500 
1 1 1   18    8   26 f  901.166   36.041   21.581   1.5470   22.500   1.8878   19.703   2.6994  932.825   39.363  869.507   60.385 63.31836 72.08218 
1 1 1   18    8   28 o  1529.12   40.551   60.580   3.1879   60.580   3.1879   0.0000   0.0000  1529.12   40.551  ?   ?       ?      ? 
1 1 1   18    8   30 o  708.888   38.333   13.960   1.2670   15.450   1.5537   11.003   2.1891  771.775   39.158  646.000   65.911 125.7748 76.66565 
1 1 1   18    8   32 o  1359.75   33.250   47.691   2.0173   47.099   2.3269   49.481   4.0472  1348.17   33.571  1371.34   57.404 -23.17395 66.49979 
1 1 1   18    8   34 o  1404.90   33.541   51.332   2.1058   50.928   2.4343   52.532   4.1979  1400.62   33.805  1409.18   57.942 -8.561523 67.08286 
1 1 1   18    8   36 o  433.393   38.373   4.9602   0.8087   4.9237   0.9935   5.0318   1.3922  433.145   44.615  433.642   62.445 -0.4969788 76.74527 
1 1 1   18    8   38 o  335.246   39.915   3.0735   0.5568   3.0912   0.6341   3.0142   1.1638  343.989   35.852  326.502   71.327 17.48685 79.83021 
1 1 1   18    8   40 o  260.258   48.321   1.8538   0.6228   1.8538   0.6228   0.0000   0.0000  260.258   48.321  ?   ?       ?      ? 
1 1 1   18    8   42 o  109.156   30.664   0.1887   0.2491   0.2669   0.2962   0.0000   0.4602  110.368   40.221  107.944   46.297 2.424889 61.32771 
1 1 1   18    8   44 o  691.687   35.433   12.740   1.0899   12.586   1.2576   13.205   2.1845  691.406   35.379  691.968   61.403 -0.5614014 70.86669 
1 1 1   18    8   46 o  258.488   41.540   1.9985   0.5289   2.2499   0.6478   1.4958   0.9160  289.806   43.477  227.170   70.795 62.63622 83.07958 
1 1 1   18    8   48 o  352.759   33.800   2.6752   0.5306   1.7763   0.6065   5.6062   1.0952  251.515   48.664  454.003   46.920 -202.4885 67.59947 
1 1 1   18    8   50 o  281.140   71.581   2.4396   1.0374   2.4396   1.0374   0.0000   0.0000  281.140   71.581  ?   ?       ?      ? 
1 1 1   18    8   52 o  303.518   35.299   2.1113   0.4844   1.5126   0.5545   4.0396   0.9952  228.962   48.609  378.073   51.199 -149.1107 70.59897 
1 1 1   18    9    1 o  1742.33   41.712   78.104   3.4389   79.707   6.2584   77.410   4.1159  1752.86   69.446  1731.81   46.227 21.05212 83.42431 
1 1 1   18    9    3 o  1125.42   43.465   32.615   2.4514   33.572   3.9594   32.020   3.1218  1137.90   67.679  1112.94   54.558 24.95935 86.93087 
1 1 1   18    9    5 o  1531.60   39.310   59.758   2.8433   62.909   5.2315   58.437   3.3873  1558.16   65.304  1505.04   43.777 53.12854 78.61929 
1 1 1   18    9    7 o  654.917   40.359   11.192   1.2404   10.846   2.2605   11.341   1.4837  646.790   67.979  663.043   43.524 -16.25275 80.71854 
1 1 1   18    9    9 o  968.634   36.077   24.142   1.7296   24.579   2.8754   23.894   2.1651  974.860   57.371  962.408   43.757 12.45209 72.15376 
1 1 1   18    9   11 o  1368.62   54.017   48.415   3.8009   48.415   3.8009   0.0000   0.0000  1368.62   54.017  ?   ?       ?      ? 
1 1 1   18    9   13 o  776.737   39.396   15.556   1.5733   15.556   1.5733   0.0000   0.0000  776.737   39.396  ?   ?       ?      ? 
1 1 1   18    9   15 o  1336.31   37.052   44.699   2.2673   43.041   2.6366   49.405   4.4421  1291.86   39.696  1380.76   62.575 -88.90234 74.10429 
1 1 1   18    9   17 o  1788.00   37.175   82.552   3.0588   82.391   3.5970   82.973   5.8131  1787.26   39.146  1788.74   63.211 -1.479004 74.35068 
1 1 1   18    9   19 f  1071.08   36.156   29.299   1.8195   28.761   2.1612   30.609   3.3716  1055.72   39.818  1086.43   60.362 -30.70398 72.31229 
1 1 1   18    9   21 o  1716.82   36.002   76.039   2.9190   75.665   3.4919   76.906   5.3185  1712.11   39.670  1721.52   60.091 -9.413330 72.00434 
1 1 1   18    9   23 o  1805.66   34.685   86.859   2.6910   88.992   3.0789   79.956   5.5380  1857.69   32.237  1753.62   61.426 104.0669 69.37090 
1 1 1   18    9   25 o  1248.75   35.411   40.115   2.1278   39.530   2.5799   41.360   3.7629  1236.49   40.584  1261.01   58.041 -24.52197 70.82207 
1 1 1   18    9   27 o  498.898   35.102   6.1477   0.8540   5.5297   1.0329   7.4832   1.5183  461.861   43.498  535.935   55.105 -74.07394 70.20419 
1 1 1   18    9   29 o  692.706   35.017   12.946   1.0532   13.369   1.2137   11.658   2.1195  719.006   32.832  666.407   61.861 52.59906 70.03423 
1 1 1   18    9   31 o  500.474   36.646   6.5713   0.8781   6.6018   1.0655   6.5068   1.5502  503.923   41.126  497.025   60.665 6.898254 73.29116 
1 1 1   18    9   33 f  736.827   34.168   14.295   1.1226   14.375   1.3006   14.063   2.2230  744.321   33.986  729.333   59.285 14.98889 68.33514 
1 1 1   18    9   35 o  848.722   35.384   19.447   1.3145   19.919   1.5177   18.031   2.6295  875.397   33.722  822.046   62.217 53.35126 70.76838 
1 1 1   18    9   37 o  182.086   38.854   0.7500   0.3454   0.6067   0.3923   1.2440   0.7286  151.308   46.196  212.864   62.486 -61.55652 77.70834 
1 1 1   18    9   39 o  453.926   39.511   5.6479   0.8468   5.8574   1.0271   5.2030   1.4966  471.421   42.377  436.432   66.700 34.98965 79.02289 
1 1 1   18    9   41 o  235.271   41.678   1.3592   0.4701   1.0415   0.5541   2.1752   0.8880  193.695   53.749  276.847   63.711 -83.15182 83.35551 
1 1 1   18    9   43 o  585.132   34.588   8.9748   0.9108   8.7471   1.0536   9.6476   1.8113  576.643   35.540  593.621   59.348 -16.97797 69.17579 
1 1 1   18    9   45 o  492.724   35.902   6.3187   0.7843   6.0714   0.8981   7.1131   1.6098  479.354   36.443  506.095   61.868 -26.74088 71.80323 
1 1 1   18    9   47 o  390.603   43.137   4.8088   0.6838   5.3139   0.7966   3.3935   1.3333  448.109   34.575  333.097   79.044 115.0126 86.27476 
1 1 1   18    9   49 o  474.119   40.401   6.4007   0.9143   6.5516   1.1179   6.0958   1.5890  490.926   44.290  457.312   67.582 33.61462 80.80209 
1 1 1   18    9   51 o  157.997   35.528   0.4139   0.2849   0.1979   0.3166   1.3335   0.6533  104.265   40.754  211.729   58.207 -107.4645 71.05546 
1 1 1   18    9   53 o  143.683   35.822   0.4872   0.2750   0.4394   0.3054   0.6922   0.6325  126.953   41.040  160.413   58.723 -33.45980 71.64323 
1 1 1   18   10    0 f  1601.08   42.537   66.148   3.4959   0.0000   0.0000   66.148   3.4959  1601.08   42.537  1601.08   42.537 -0.000000 0.000000 
1 1 1   18   10    2 o  845.493   55.244   18.481   2.4014   18.481   2.4014   0.0000   0.0000  845.493   55.244  ?   ?       ?      ? 
1 1 1   18   10    4 o  1281.07   70.769   42.581   4.6611   0.0000   0.0000   42.581   4.6611  ?   ?   1281.07   70.769      ?      ? 
1 1 1   18   10    6 o  2235.92   50.157  129.644   5.7643  126.497   8.0447  132.964   8.2637  2208.07   70.864  2263.77   71.002 -55.70459 100.3145 
1 1 1   18   10    8 o  2092.68   60.564  113.340   6.5161  113.340   6.5161   0.0000   0.0000  2092.68   60.564  ?   ?       ?      ? 
1 1 1   18   10   10 o  1111.79   32.667   31.839   1.8672   31.839   1.8672   0.0000   0.0000  1111.79   32.667  ?   ?       ?      ? 
1 1 1   18   10   12 o  1276.05   36.224   40.103   1.8714   38.946   2.0683   45.325   4.3951  1229.60   32.718  1322.50   64.640 -92.90125 72.44872 
1 1 1   18   10   14 o  363.384   46.410   3.9004   0.7078   4.3001   0.8206   2.7382   1.3992  408.357   39.084  318.410   84.189 89.94727 92.81914 
1 1 1   18   10   16 o  1117.97   33.248   28.791   1.5715   26.477   1.7456   38.682   3.6097  1013.65   33.496  1222.30   57.442 -208.6495 66.49500 
1 1 1   18   10   18 o  629.191   39.888   11.359   0.9890   12.108   1.1128   8.5434   2.1578  685.506   31.574  572.877   73.261 112.6290 79.77518 
1 1 1   18   10   20 o  274.981   38.892   1.7400   0.4834   1.3855   0.5591   2.7895   0.9620  227.116   49.295  322.845   60.170 -95.72835 77.78433 
1 1 1   18   10   22 o  1959.20   34.114   98.783   2.8779   98.313   3.2704  100.398   6.0589  1952.56   32.578  1965.85   59.948 -13.28186 68.22776 
1 1 1   18   10   24 o  1011.87   33.002   25.515   1.4681   24.642   1.6722   28.452   3.0666  977.288   33.282  1046.45   56.999 -69.16168 66.00438 
1 1 1   18   10   26 o  1344.69   41.246   47.132   2.8511   46.739   3.9904   47.542   4.0750  1339.08   57.961  1350.30   58.699 -11.21350 82.49289 
1 1 1   18   10   28 o  584.921   33.464   8.8460   1.0063   8.8460   1.0063   0.0000   0.0000  584.921   33.464  ?   ?       ?      ? 
1 1 1   18   10   30 o  485.234   33.045   5.7443   0.7231   5.3590   0.8290   6.9700   1.4787  454.789   35.454  515.680   55.775 -60.89056 66.08990 
1 1 1   18   10   32 o  614.821   33.585   9.6274   0.9247   9.3701   1.0652   10.415   1.8632  601.033   34.471  628.609   57.650 -27.57532 67.16982 
1 1 1   18   10   34 o  669.051   36.312   12.386   1.0532   12.984   1.2193   10.627   2.0898  707.057   33.543  631.044   64.414 76.01233 72.62460 
1 1 1   18   10   36 o  283.290   42.469   2.4122   0.5846   2.9162   0.7253   1.4772   0.9879  333.519   42.299  233.061   73.657 100.4578 84.93803 
1 1 1   18   10   38 o  739.962   37.097   14.380   1.3273   13.982   1.6140   15.213   2.3331  728.587   43.087  751.337   60.400 -22.74976 74.19331 
1 1 1   18   10   40 o  249.397   39.211   1.6372   0.5028   1.6372   0.5028   0.0000   0.0000  249.397   39.211  ?   ?       ?      ? 
1 1 1   18   10   42 f  503.467   34.410   6.4261   0.7853   6.0437   0.9053   7.5894   1.5789  479.177   36.746  527.756   58.189 -48.57941 68.82023 
1 1 1   18   10   44 o  412.648   34.882   4.2835   0.6541   3.9611   0.7530   5.2749   1.3205  387.058   37.841  438.238   58.610 -51.17996 69.76472 
1 1 1   18   10   46 o  270.028   41.450   1.9099   0.5344   1.5205   0.6470   2.7462   0.9481  230.939   55.235  309.117   61.817 -78.17763 82.89910 
1 1 1   18   10   48 o  202.080   37.482   1.0057   0.3527   0.8207   0.4046   1.5904   0.7193  170.870   45.317  233.291   59.716 -62.42050 74.96473 
1 1 1   18   10   50 o  322.308   46.985   2.8631   0.7786   2.8631   0.7786   0.0000   0.0000  322.308   46.985  ?   ?       ?      ? 
1 1 1   18   10   52 o  221.035   35.036   1.7994   0.4484   2.4655   0.5248   0.0000   0.8626  302.982   33.692  139.087   61.441 163.8948 70.07289 
1 1 1   18   11    1 o  595.222   54.245   9.1572   1.6600   9.1572   1.6600   0.0000   0.0000  595.222   54.245  ?   ?       ?      ? 
1 1 1   18   11    3 o  1170.85   54.920   35.437   3.3060   35.437   3.3060   0.0000   0.0000  1170.85   54.920  ?   ?       ?      ? 
1 1 1   18   11    5 o  417.783   43.266   4.5024   0.9293   4.5024   0.9293   0.0000   0.0000  417.783   43.266  ?   ?       ?      ? 
1 1 1   18   11    7 o  1216.89   35.531   38.156   2.2230   38.156   2.2230   0.0000   0.0000  1216.89   35.531  ?   ?       ?      ? 
1 1 1   18   11    9 o  1468.15   40.373   54.648   2.6568   53.536   3.0643   58.015   5.3317  1440.80   41.368  1495.51   69.344 -54.71045 80.74609 
1 1 1   18   11   11 o  1244.58   35.986   36.942   1.8126   35.199   1.9955   45.164   4.3343  1168.91   33.205  1320.27   63.855 -151.3599 71.97239 
1 1 1   18   11   13 o  137.723   32.727   0.4890   0.2417   0.5692   0.2608   0.0000   0.6440  145.721   35.205  129.725   55.179 15.99611 65.45309 
1 1 1   18   11   15 o  778.952   41.922   16.694   1.4236   17.704   1.6562   13.839   2.7856  828.516   38.881  729.388   74.284 99.12823 83.84384 
1 1 1   18   11   17 o  1067.64   35.282   28.638   1.5675   28.073   1.7518   30.908   3.5108  1043.72   32.645  1091.55   62.559 -47.83081 70.56473 
1 1 1   18   11   19 o  2246.94   34.940  128.617   3.3002  127.190   3.7094  134.037   7.2288  2221.41   32.479  2272.48   61.873 -51.07031 69.87943 
1 1 1   18   11   21 o  732.028   34.700   13.578   1.0826   13.355   1.2217   14.396   2.3361  719.654   33.020  744.401   61.040 -24.74713 69.39902 
1 1 1   18   11   23 o  472.592   41.220   6.5205   0.7550   7.0049   0.8570   4.8415   1.5955  521.167   31.986  424.017   75.981 97.14902 82.43949 
1 1 1   18   11   25 o  289.199   45.334   2.3120   0.6864   3.2498   0.9459   1.2693   0.9974  353.686   52.020  224.712   74.259 128.9741 90.66719 
1 1 1   18   11   27 o  375.292   34.499   3.6417   0.6656   3.6417   0.6656   0.0000   0.0000  375.292   34.499  ?   ?       ?      ? 
1 1 1   18   11   29 o  214.915   37.923   1.1085   0.3625   0.9849   0.4096   1.5550   0.7786  190.998   42.775  238.832   62.633 -47.83383 75.84589 
1 1 1   18   11   31 o  479.476   34.914   5.6008   0.8234   4.6832   1.0017   7.5130   1.4461  423.619   45.994  535.333   52.541 -111.7141 69.82821 
1 1 1   18   11   33 o  326.224   40.486   3.0136   0.5384   3.1339   0.6112   2.5975   1.1369  347.402   34.223  305.045   73.386 42.35703 80.97299 
1 1 1   18   11   35 o  510.763   34.373   6.6369   0.7919   6.3929   0.9139   7.3720   1.5862  495.368   35.885  526.158   58.637 -30.78998 68.74621 
1 1 1   18   11   37 f  563.277   40.282   9.4970   0.9387   10.469   1.0878   6.6621   1.8577  633.764   33.384  492.790   73.322 140.9743 80.56452 
1 1 1   18   11   39 o  150.548   40.466   0.6171   0.3199   0.6171   0.3199   0.0000   0.0000  150.548   40.466  ?   ?       ?      ? 
1 1 1   18   11   41 o  145.213   35.634   0.5094   0.3155   0.4822   0.3942   0.5577   0.5264  138.382   46.700  152.044   53.837 -13.66280 71.26898 
1 1 1   18   11   43 o  526.246   38.606   7.9525   0.8663   8.3763   1.0002   6.6791   1.7336  564.479   34.463  488.013   69.095 76.46542 77.21288 
1 1 1   18   11   45 o  416.528   36.654   4.6618   0.6804   4.6021   0.7862   4.8399   1.3577  417.042   36.669  416.013   63.478 1.029541 73.30816 
1 1 1   18   11   47 o  196.321   38.353   0.9251   0.3620   0.7117   0.4173   1.5735   0.7274  160.156   47.368  232.486   60.334 -72.32964 76.70677 
1 1 1   18   11   49 o  329.333   44.745   2.9588   0.7576   2.9588   0.7576   0.0000   0.0000  329.333   44.745  ?   ?       ?      ? 
1 1 1   18   11   51 o  259.152   41.774   1.9462   0.4841   1.9185   0.5527   2.0376   1.0035  265.323   40.519  252.980   73.064 12.34264 83.54744 
1 1 1   18   11   53 o  306.571   40.728   2.6325   0.5399   2.4666   0.6166   3.1777   1.1175  299.207   40.081  313.935   70.913 -14.72833 81.45650 
1 1 1   18   12    0 o  491.306   80.264   6.7122   1.8649   0.0000   0.0000   6.7122   1.8649  491.306   80.264  491.306   80.264 -0.000000 0.000000 
1 1 1   18   12    2 o  1482.88   40.258   55.700   2.7537   54.283   3.2250   59.514   5.2906  1450.65   43.241  1515.12   67.919 -64.46619 80.51597 
1 1 1   18   12    4 o  435.203   43.053   4.8855   0.9633   4.8855   0.9633   0.0000   0.0000  435.203   43.053  ?   ?       ?      ? 
1 1 1   18   12    6 o  698.000   44.385   13.181   1.3544   13.746   1.5694   11.531   2.6810  730.067   41.811  665.934   78.308 64.13300 88.77077 
1 1 1   18   12    8 o  2669.46   39.773  184.713   4.1791  184.954   4.6135  183.609   9.8653  2679.48   33.490  2659.45   72.152 20.02905 79.54581 
1 1 1   18   12   10 o  1692.67   40.840   74.078   3.0670   74.025   3.5361   74.238   6.1624  1694.23   40.595  1691.11   70.878 3.115234 81.68002 
1 1 1   18   12   12 o  363.181   38.515   3.1698   0.6433   2.9044   0.7435   3.9601   1.2829  335.492   43.107  390.870   63.840 -55.37775 77.03073 
1 1 1   18   12   14 o  1188.22   36.249   34.652   1.7466   33.563   1.9303   39.569   4.1024  1141.32   32.896  1235.12   64.604 -93.80872 72.49709 
1 1 1   18   12   16 o  1774.84   38.099   83.706   2.6932   85.042   2.9947   78.053   6.1587  1816.70   32.063  1732.98   69.124 83.71655 76.19810 
1 1 1   18   12   18 o  423.837   37.348   4.6195   0.6442   4.6002   0.7173   4.7004   1.4647  422.449   33.026  425.225   66.999 -2.776031 74.69686 
1 1 1   18   12   20 f  1297.78   37.042   43.129   2.2348   42.475   2.6371   44.794   4.2096  1282.58   39.991  1312.98   62.362 -30.39417 74.08302 
1 1 1   18   12   22 o  361.903   33.420   3.0005   0.5239   2.7115   0.5862   4.1473   1.1678  324.151   35.177  399.655   56.836 -75.50430 66.84068 
1 1 1   18   12   24 o  837.014   36.428   17.892   1.4460   17.437   1.7272   18.957   2.6435  821.040   40.918  852.988   60.280 -31.94836 72.85585 
1 1 1   18   12   26 o  1092.91   40.515   30.939   2.2765   30.939   2.2765   0.0000   0.0000  1092.91   40.515  ?   ?       ?      ? 
1 1 1   18   12   28 o  795.683   35.810   17.105   1.2199   17.628   1.3968   15.423   2.5046  825.550   32.909  765.817   63.611 59.73376 71.61989 
1 1 1   18   12   30 o  598.002   36.204   9.2210   1.0475   8.9628   1.2732   9.7618   1.8427  586.922   42.195  609.082   58.843 -22.15930 72.40846 
1 1 1   18   12   32 o  217.346   38.463   1.1040   0.3624   0.9668   0.4043   1.6641   0.8172  188.878   42.645  245.813   64.023 -56.93469 76.92567 
1 1 1   18   12   34 o  507.987   38.915   7.4705   0.8328   8.0856   0.9640   5.6604   1.6537  557.735   33.619  458.240   70.195 99.49579 77.83014 
1 1 1   18   12   36 o  187.949   40.174   0.9892   0.4362   1.2425   0.5395   0.5111   0.7412  212.605   50.166  163.293   62.762 49.31215 80.34714 
1 1 1   18   12   38 o  323.956   44.889   2.7741   0.7476   2.7741   0.7476   0.0000   0.0000  323.956   44.889  ?   ?       ?      ? 
1 1 1   18   12   40 o  215.320   39.693   1.3909   0.4083   1.5311   0.4564   0.8289   0.9139  241.413   36.775  189.228   70.355 52.18488 79.38661 
1 1 1   18   12   42 o  163.352   38.907   0.5968   0.3094   0.5446   0.3382   0.8648   0.7665  142.281   42.771  184.423   65.004 -42.14203 77.81329 
1 1 1   18   12   44 o  687.032   34.142   12.217   1.0602   11.683   1.2246   13.816   2.1187  665.364   35.799  708.700   58.148 -43.33636 68.28446 
1 1 1   18   12   46 o  342.864   42.767   3.3984   0.6876   3.5434   0.8483   3.1207   1.1739  362.289   45.545  323.438   72.400 38.85043 85.53456 
1 1 1   18   12   48 o  243.348   50.690   1.6845   0.6136   1.6845   0.6136   0.0000   0.0000  243.348   50.690  ?   ?       ?      ? 
1 1 1   18   12   50 o  174.808   40.219   0.8826   0.3995   0.9607   0.4683   0.6739   0.7657  182.707   48.889  166.910   63.876 15.79706 80.43810 
1 1 1   18   12   52 o  231.092   41.602   1.5546   0.4443   1.4934   0.5097   1.7482   0.9068  228.448   44.999  233.736   69.985 -5.288116 83.20316 
1 1 1   18   13    1 o  639.453   51.066   10.626   1.6720   9.4431   2.3441   11.851   2.3857  602.885   75.626  676.021   68.641 -73.13525 102.1318 
1 1 1   18   13    3 o  1788.35   40.787   82.442   3.3371   82.104   3.9083   83.350   6.4109  1784.13   42.608  1792.57   69.563 -8.440796 81.57462 
1 1 1   18   13    5 o  1539.71   40.934   60.231   2.8682   59.009   3.3357   63.697   5.6175  1512.47   42.898  1566.96   69.730 -54.49011 81.86837 
1 1 1   18   13    7 o  1590.94   41.552   64.739   2.9674   63.956   3.4320   67.058   5.9064  1574.61   42.394  1607.27   71.477 -32.65137 83.10312 
1 1 1   18   13    9 o  1230.82   40.522   38.261   2.2269   37.345   2.5613   41.096   4.5074  1203.27   41.402  1258.38   69.670 -55.10303 81.04372 
1 1 1   18   13   11 o  1357.54   38.008   46.441   2.0526   45.757   2.2639   49.601   4.8655  1332.67   33.043  1382.42   68.458 -49.74915 76.01505 
1 1 1   18   13   13 o  1217.05   38.009   37.841   1.8395   37.570   2.0324   39.069   4.3265  1207.53   32.736  1226.57   68.608 -19.04187 76.01764 
1 1 1   18   13   15 o  2429.96   38.815  150.390   4.2820  147.688   4.9761  158.098   8.4053  2392.41   40.456  2467.50   66.256 -75.09204 77.63092 
1 1 1   18   13   17 o  888.403   34.268   18.355   1.2725   17.054   1.4099   24.073   2.9556  813.349   33.717  963.458   59.668 -150.1090 68.53580 
1 1 1   18   13   19 o  1101.43   36.605   31.511   1.6511   31.576   1.8451   31.251   3.6990  1106.71   32.427  1096.15   65.636 10.55750 73.20938 
1 1 1   18   13   21 o  1726.65   33.902   72.966   2.5031   69.833   2.8120   84.924   5.4930  1645.40   33.241  1807.90   59.097 -162.4933 67.80416 
1 1 1   18   13   23 o  274.741   42.890   2.3435   0.5601   2.8117   0.6601   1.1408   1.0581  329.831   38.929  219.652   76.439 110.1782 85.78088 
1 1 1   18   13   25 o  536.491   33.479   7.4356   0.9234   7.4356   0.9234   0.0000   0.0000  536.491   33.479  ?   ?       ?      ? 
1 1 1   18   13   27 o  725.066   33.809   13.092   1.0726   12.588   1.2182   14.828   2.2621  697.602   33.967  752.531   58.467 -54.92859 67.61772 
1 1 1   18   13   29 o  768.673   36.036   15.977   1.1844   16.443   1.3551   14.469   2.4376  796.945   33.073  740.401   64.035 56.54376 72.07149 
1 1 1   18   13   31 o  822.426   35.537   16.938   1.4200   15.463   1.7142   20.164   2.5350  769.965   43.304  874.887   56.359 -104.9218 71.07451 
1 1 1   18   13   33 o  301.934   40.346   2.5777   0.5157   2.6863   0.5911   2.2319   1.0551  321.341   35.778  282.528   72.327 38.81238 80.69253 
1 1 1   18   13   35 o  519.800   38.893   7.7506   0.8460   8.2620   0.9719   6.1523   1.7182  563.373   33.556  476.227   70.176 87.14670 77.78605 
1 1 1   18   13   37 o  171.503   50.239   0.7973   0.4715   0.7973   0.4715   0.0000   0.0000  171.503   50.239  ?   ?       ?      ? 
1 1 1   18   13   39 o  470.340   37.324   6.0010   0.7637   6.0671   0.8773   5.7941   1.5519  481.122   35.467  459.559   65.685 21.56314 74.64860 
1 1 1   18   13   41 o  262.887   44.544   1.6443   0.5420   1.2370   0.6257   2.8686   1.0849  209.846   56.666  315.928   68.745 -106.0815 89.08898 
1 1 1   18   13   43 o  748.323   35.811   14.943   1.1829   14.768   1.3602   15.487   2.3955  748.726   35.337  747.919   62.298 0.8064575 71.62184 
1 1 1   18   13   45 o  657.729   35.593   11.043   1.0520   10.322   1.2063   13.332   2.1495  623.646   37.622  691.812   60.433 -68.16571 71.18668 
1 1 1   18   13   47 o  208.612   42.096   1.2398   0.4493   1.2181   0.5380   1.2896   0.8168  206.688   50.954  210.535   67.024 -3.847137 84.19281 
1 1 1   18   13   49 o  189.620   37.337   1.1159   0.3649   1.2558   0.4180   0.6686   0.7475  212.733   39.683  166.507   63.258 46.22638 74.67450 
1 1 1   18   13   51 f  311.137   45.079   3.3493   0.6083   3.7602   0.7000   2.0821   1.2291  372.982   36.503  249.292   82.437 123.6907 90.15761 
1 1 1   18   14    0 o  712.226   74.350   13.526   2.6546   0.0000   0.0000   13.526   2.6546  712.226   74.350  712.226   74.350 -0.000000 0.000000 
1 1 1   18   14    2 o  1233.62   41.081   38.408   2.3884   37.037   2.8324   41.783   4.4432  1197.92   45.990  1269.33   68.084 -71.41541 82.16166 
1 1 1   18   14    4 o  1182.23   42.657   36.054   2.5927   36.054   2.5927   0.0000   0.0000  1182.23   42.657  ?   ?       ?      ? 
1 1 1   18   14    6 o  3133.70   41.863  253.884   5.8927  253.590   6.8361  254.732   11.625  3135.36   42.408  3132.05   72.192 3.307373 83.72678 
1 1 1   18   14    8 o  2164.90   37.937  114.697   3.2579  111.217   3.5777  131.593   7.8830  2077.68   33.494  2252.12   68.082 -174.4458 75.87455 
1 1 1   18   14   10 o  405.764   44.240   4.3221   0.7682   4.3085   0.8836   4.3644   1.5541  408.642   42.060  402.886   77.844 5.756287 88.48021 
1 1 1   18   14   12 o  771.591   39.094   15.303   1.1840   15.246   1.3044   15.567   2.8208  769.217   32.984  773.964   70.890 -4.747009 78.18816 
1 1 1   18   14   14 o  1597.25   36.470   62.228   2.3560   60.054   2.5998   72.217   5.5727  1526.52   33.126  1667.97   64.984 -141.4524 72.94025 
1 1 1   18   14   16 o  2467.92   38.650  162.266   3.7846  165.006   4.2050  150.580   8.6841  2530.27   32.324  2405.57   70.216 124.6985 77.29935 
1 1 1   18   14   18 o  1543.35   35.256   58.244   2.2513   56.074   2.5015   67.494   5.1645  1474.77   32.992  1611.92   62.318 -137.1522 70.51260 
1 1 1   18   14   20 o  1615.52   37.152   65.835   2.7833   63.558   3.2645   71.895   5.3259  1568.49   40.482  1662.55   62.308 -94.05908 74.30445 
1 1 1   18   14   22 o  718.778   37.361   13.062   1.2524   12.607   1.4745   14.239   2.3726  698.265   41.073  739.291   62.421 -41.02600 74.72255 
1 1 1   18   14   24 o  830.638   33.189   17.820   1.4173   17.820   1.4173   0.0000   0.0000  830.638   33.189  ?   ?       ?      ? 
1 1 1   18   14   26 o  1756.38   36.877   80.119   3.0582   79.647   3.6585   81.214   5.5719  1752.67   40.601  1760.08   61.574 -7.411499 73.75489 
1 1 1   18   14   28 o  221.620   40.314   1.2385   0.3839   1.1905   0.4248   1.4525   0.8972  210.635   40.696  232.605   69.604 -21.97078 80.62778 
1 1 1   18   14   30 o  723.939   38.931   14.444   1.3040   15.496   1.5740   12.142   2.3287  771.869   39.663  676.009   67.002 95.86029 77.86166 
1 1 1   18   14   32 o  467.981   41.391   6.4720   0.7683   6.9948   0.8816   4.8207   1.5668  519.107   33.032  416.855   75.905 102.2523 82.78107 
1 1 1   18   14   34 o  312.838   42.197   3.1352   0.5492   3.5663   0.6322   1.8096   1.1086  370.290   33.209  255.386   77.586 114.9036 84.39464 
1 1 1   18   14   36 o  294.294   65.855   2.4318   0.9715   2.4318   0.9715   0.0000   0.0000  294.294   65.855  ?   ?       ?      ? 
1 1 1   18   14   38 o  465.089   35.753   5.6259   0.7399   5.4817   0.8507   6.0739   1.4994  457.335   36.182  472.844   61.676 -15.50946 71.50597 
1 1 1   18   14   40 o  456.285   38.144   5.0608   0.8418   4.0597   1.0033   7.4409   1.5471  389.127   50.151  523.442   57.487 -134.3147 76.28809 
1 1 1   18   14   42 f  232.111   40.816   1.4741   0.4209   1.4712   0.4707   1.4853   0.9402  235.867   38.814  228.355   71.815 7.511581 81.63296 
1 1 1   18   14   44 o  151.630   35.435   0.6243   0.2969   0.7020   0.3313   0.3076   0.6692  159.421   40.377  143.840   58.243 15.58095 70.86965 
1 1 1   18   14   46 o  219.956   43.156   1.4201   0.4809   1.4768   0.5696   1.2797   0.8970  228.606   49.869  211.305   70.448 17.30061 86.31245 
1 1 1   18   14   48 o  179.847   45.546   0.9162   0.4216   0.9162   0.4216   0.0000   0.0000  179.847   45.546  ?   ?       ?      ? 
1 1 1   18   14   50 o  185.660   38.945   0.9963   0.3871   0.9753   0.4804   1.0354   0.6538  183.494   49.694  187.825   59.979 -4.330948 77.89099 
1 1 1   18   14   52 o  172.003   39.005   0.7904   0.3496   0.6997   0.4021   1.0718   0.7078  155.878   46.584  188.127   62.575 -32.24873 78.01057 
1 1 1   18   15    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15    3 o  875.765   44.643   19.793   2.0101   19.793   2.0101   0.0000   0.0000  875.765   44.643  ?   ?       ?      ? 
1 1 1   18   15    5 o  898.975   42.431   20.849   1.9611   20.849   1.9611   0.0000   0.0000  898.975   42.431  ?   ?       ?      ? 
1 1 1   18   15    7 o  2015.27   33.104  104.635   3.4300  104.635   3.4300   0.0000   0.0000  2015.27   33.104  ?   ?       ?      ? 
1 1 1   18   15    9 o  1355.89   40.921   46.382   2.4828   45.181   2.8578   50.078   5.0141  1323.28   42.006  1388.50   70.239 -65.22534 81.84157 
1 1 1   18   15   11 o  1193.05   38.947   36.230   1.8274   35.901   2.0118   37.783   4.3696  1180.34   33.152  1205.77   70.487 -25.42798 77.89359 
1 1 1   18   15   13 o  1494.44   37.442   55.554   2.2452   54.274   2.4780   61.423   5.3060  1451.17   33.213  1537.71   67.116 -86.54102 74.88423 
1 1 1   18   15   15 o  1531.74   39.035   58.838   2.7034   56.821   3.1231   64.868   5.3991  1483.64   40.944  1579.85   66.471 -96.21411 78.06935 
1 1 1   18   15   17 o  1650.18   37.340   69.743   2.4820   69.269   2.7532   71.800   5.7355  1639.18   32.669  1661.18   67.156 -22.00134 74.68044 
1 1 1   18   15   19 o  1793.44   36.822   82.386   2.6889   81.768   2.9924   84.979   6.1283  1780.61   32.687  1806.28   65.991 -25.67188 73.64308 
1 1 1   18   15   21 o  148.009   36.919   0.5100   0.3076   0.5683   0.3407   0.2528   0.7156  146.809   42.624  149.209   60.294 -2.399521 73.83871 
1 1 1   18   15   23 o  1123.65   32.930   32.602   1.9024   32.602   1.9024   0.0000   0.0000  1123.65   32.930  ?   ?       ?      ? 
1 1 1   18   15   25 o  804.341   34.172   15.992   1.1891   15.327   1.3430   18.407   2.5584  769.912   33.928  838.770   59.327 -68.85730 68.34315 
1 1 1   18   15   27 o  1389.47   34.705   49.285   2.0757   48.417   2.3522   52.343   4.4126  1367.75   33.450  1411.19   60.819 -43.43750 69.41077 
1 1 1   18   15   29 o  1491.37   35.771   59.382   2.2814   60.368   2.6016   56.099   4.7469  1526.41   33.151  1456.33   63.398 70.07178 71.54259 
1 1 1   18   15   31 o  173.356   41.953   0.6974   0.4764   1.0755   0.6500   0.2586   0.7002  199.842   59.120  146.870   59.540 52.97261 83.90565 
1 1 1   18   15   33 o  359.241   33.240   2.8125   0.5407   2.2583   0.6127   4.7652   1.1500  293.929   40.544  424.553   52.686 -130.6238 66.48057 
1 1 1   18   15   35 o  196.867   40.350   1.0918   0.4230   1.2146   0.5080   0.8143   0.7639  210.423   48.018  183.312   64.860 27.11127 80.70053 
1 1 1   18   15   37 o  329.037   40.181   2.8241   0.6198   2.6020   0.7429   3.3323   1.1238  313.417   46.107  344.658   65.821 -31.24106 80.36274 
1 1 1   18   15   39 o  147.764   36.008   0.4142   0.2802   0.3032   0.3131   0.8605   0.6278  115.547   41.459  179.980   58.885 -64.43349 72.01587 
1 1 1   18   15   41 o  350.351   41.377   3.2282   0.6701   2.9721   0.7945   3.8588   1.2468  333.476   46.343  367.227   68.560 -33.75037 82.75326 
1 1 1   18   15   43 o  352.949   46.418   4.3475   0.6689   5.0594   0.7698   2.1531   1.3516  438.336   34.159  267.562   86.324 170.7736 92.83636 
1 1 1   18   15   45 o  274.014   43.178   1.9273   0.4969   1.7810   0.5520   2.5517   1.1402  257.841   41.642  290.187   75.651 -32.34607 86.35508 
1 1 1   18   15   47 o  435.724   45.450   5.1698   1.0181   5.1698   1.0181   0.0000   0.0000  435.724   45.450  ?   ?       ?      ? 
1 1 1   18   15   49 o  248.564   42.007   1.9882   0.4847   2.1678   0.5507   1.3706   1.0210  283.579   37.773  213.550   75.044 70.02872 84.01444 
1 1 1   18   15   51 o  286.119   43.966   3.0259   0.5657   3.4685   0.6390   1.4221   1.2164  358.578   34.662  213.661   80.811 144.9168 87.93105 
1 1 1   18   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16    2 o  552.825   51.197   8.1129   1.4222   9.5369   1.9472   6.4848   2.0821  606.704   62.426  498.945   81.165 107.7588 102.3950 
1 1 1   18   16    4 o  592.372   38.845   9.1365   1.1721   8.5552   1.7472   9.6123   1.5806  574.834   59.118  609.909   50.407 -35.07465 77.69080 
1 1 1   18   16    6 o  828.334   54.721   17.749   2.3304   17.749   2.3304   0.0000   0.0000  828.334   54.721  ?   ?       ?      ? 
1 1 1   18   16    8 o  394.227   33.781   4.0050   0.6847   4.0050   0.6847   0.0000   0.0000  394.227   33.781  ?   ?       ?      ? 
1 1 1   18   16   10 o  868.579   33.340   19.442   1.4888   19.442   1.4888   0.0000   0.0000  868.579   33.340  ?   ?       ?      ? 
1 1 1   18   16   12 o  810.666   33.221   16.938   1.3846   16.938   1.3846   0.0000   0.0000  810.666   33.221  ?   ?       ?      ? 
1 1 1   18   16   14 o  2161.50   39.433  123.088   3.3382  124.241   3.6881  117.861   7.8514  2195.49   32.674  2127.52   71.780 67.96997 78.86659 
1 1 1   18   16   16 o  1367.23   36.743   45.969   2.0297   44.553   2.2410   52.435   4.7875  1314.53   33.160  1419.94   65.579 -105.4116 73.48593 
1 1 1   18   16   18 o  1233.02   35.281   36.289   1.7930   34.401   1.9839   44.711   4.1895  1154.87   33.413  1311.17   62.148 -156.3080 70.56109 
1 1 1   18   16   20 o  754.666   56.952   14.799   2.2097   14.799   2.2097   0.0000   0.0000  754.666   56.952  ?   ?       ?      ? 
1 1 1   18   16   22 o  1115.50   32.848   32.128   1.8839   32.128   1.8839   0.0000   0.0000  1115.50   32.848  ?   ?       ?      ? 
1 1 1   18   16   24 o  732.030   37.106   14.001   1.1210   14.028   1.2564   13.896   2.4825  736.706   33.173  727.354   66.384 9.351990 74.21133 
1 1 1   18   16   26 o  1626.69   37.746   69.649   2.8678   70.351   3.4182   67.981   5.2697  1646.39   40.383  1606.99   63.783 39.39441 75.49188 
1 1 1   18   16   28 o  541.354   35.905   7.6981   0.8311   7.7223   0.9442   7.6146   1.7508  545.941   33.640  536.767   63.443 9.174744 71.81001 
1 1 1   18   16   30 o  1224.46   39.597   41.754   2.2241   45.120   2.6774   34.261   3.9948  1316.33   39.562  1132.60   68.604 183.7322 79.19376 
1 1 1   18   16   32 o  1247.66   35.561   41.298   1.9117   41.552   2.1814   40.460   3.9684  1264.38   33.558  1230.94   62.706 33.44458 71.12130 
1 1 1   18   16   34 o  404.382   39.215   4.1324   0.7573   3.7866   0.9004   4.9686   1.4001  379.101   46.195  429.663   63.383 -50.56232 78.43082 
1 1 1   18   16   36 o  172.979   51.681   0.8094   0.4949   0.8094   0.4949   0.0000   0.0000  172.979   51.681  ?   ?       ?      ? 
1 1 1   18   16   38 o  326.493   41.491   2.9634   0.5533   2.9840   0.6242   2.8878   1.1949  337.242   36.004  315.744   74.766 21.49783 82.98282 
1 1 1   18   16   40 o  335.469   44.179   3.2128   0.6650   3.3059   0.7864   2.9791   1.2458  352.707   43.368  318.231   76.982 34.47656 88.35741 
1 1 1   18   16   42 o  190.861   40.462   1.0004   0.3821   1.0211   0.4303   0.9235   0.8310  191.899   44.485  189.822   67.600 2.076813 80.92426 
1 1 1   18   16   44 o  191.783   40.960   0.7695   0.3449   0.6178   0.3753   1.5925   0.8742  150.337   45.026  233.228   68.437 -82.89142 81.92040 
1 1 1   18   16   46 o  320.879   70.892   3.0949   1.1384   3.0949   1.1384   0.0000   0.0000  320.879   70.892  ?   ?       ?      ? 
1 1 1   18   16   48 o  451.909   38.824   5.5528   0.7532   5.3825   0.8538   6.1504   1.5995  447.749   37.090  456.069   68.217 -8.319580 77.64830 
1 1 1   18   16   50 o  198.375   43.752   1.1022   0.4541   0.9872   0.5317   1.4124   0.8734  183.393   53.246  213.357   69.439 -29.96431 87.50407 
1 1 1   18   17    1 f  600.421   51.321   9.3777   1.5826   9.8348   2.2330   8.9163   2.2433  615.313   70.586  585.529   74.519 29.78412 102.6419 
1 1 1   18   17    3 o  1294.02   43.102   43.301   2.6540   43.163   3.1956   43.607   4.7651  1292.63   48.085  1295.42   71.547 -2.795044 86.20409 
1 1 1   18   17    5 o  1801.45   45.940   83.822   4.1453   82.606   5.2793   85.776   6.6943  1786.26   57.486  1816.65   71.674 -30.38867 91.87927 
1 1 1   18   17    7 o  960.375   38.615   22.566   1.4879   21.835   1.6388   25.995   3.5502  920.410   34.632  1000.34   69.030 -79.93018 77.23022 
1 1 1   18   17    9 o  137.962   34.785   0.4271   0.3178   0.5974   0.3758   0.0000   0.5954  151.205   45.005  124.718   53.053 26.48682 69.57057 
1 1 1   18   17   11 o  679.066   39.265   11.898   1.3708   11.898   1.3708   0.0000   0.0000  679.066   39.265  ?   ?       ?      ? 
1 1 1   18   17   13 o  944.981   33.179   23.020   1.6120   23.020   1.6120   0.0000   0.0000  944.981   33.179  ?   ?       ?      ? 
1 1 1   18   17   15 o  1749.90   40.641   79.074   3.6563   79.074   3.6563   0.0000   0.0000  1749.90   40.641  ?   ?       ?      ? 
1 1 1   18   17   17 f  740.405   40.064   14.161   1.5251   14.161   1.5251   0.0000   0.0000  740.405   40.064  ?   ?       ?      ? 
1 1 1   18   17   19 o  1047.76   40.030   28.372   2.1564   28.372   2.1564   0.0000   0.0000  1047.76   40.030  ?   ?       ?      ? 
1 1 1   18   17   21 f  239.048   40.389   1.5503   0.4048   1.5880   0.4460   1.3737   0.9651  247.936   34.985  230.160   72.808 17.77643 80.77739 
1 1 1   18   17   23 o  201.908   38.086   1.2006   0.3615   1.3342   0.3968   0.5474   0.8774  227.184   33.969  176.633   68.179 50.55200 76.17245 
1 1 1   18   17   25 o  1207.97   36.812   38.334   1.8420   38.501   2.0687   37.691   4.0473  1219.98   32.981  1195.96   65.823 24.01660 73.62329 
1 1 1   18   17   27 o  288.285   42.240   2.5669   0.5025   2.8168   0.5651   1.6229   1.0984  329.776   33.330  246.794   77.626 82.98195 84.47909 
1 1 1   18   17   29 o  626.037   35.526   9.4861   1.0694   8.2084   1.2703   12.594   1.9812  560.719   44.065  691.354   55.738 -130.6353 71.05219 
1 1 1   18   17   31 o  978.001   38.529   25.681   1.7627   26.293   2.1128   24.278   3.1969  1003.35   40.959  952.650   65.271 50.70337 77.05775 
1 1 1   18   17   33 o  468.578   38.024   5.6101   0.8588   5.2297   1.0323   6.4650   1.5477  445.971   45.023  491.185   61.289 -45.21356 76.04864 
1 1 1   18   17   35 o  742.479   34.266   14.392   1.3080   14.392   1.3080   0.0000   0.0000  742.479   34.266  ?   ?       ?      ? 
1 1 1   18   17   37 o  827.270   43.248   20.448   1.5970   23.492   1.9446   14.141   2.7992  944.352   40.052  710.188   76.663 234.1638 86.49510 
1 1 1   18   17   39 o  477.679   36.749   5.9089   0.7689   5.7018   0.8759   6.6044   1.6052  465.556   36.593  489.802   63.742 -24.24612 73.49899 
1 1 1   18   17   41 o  210.401   39.431   1.1062   0.3753   0.9857   0.4236   1.5469   0.8097  188.636   44.411  232.166   65.167 -43.53050 78.86142 
1 1 1   18   17   43 o  475.081   39.758   6.2744   0.7965   6.3350   0.9047   6.0653   1.6799  489.455   35.951  460.708   70.925 28.74677 79.51585 
1 1 1   18   17   45 o  169.173   39.453   0.8108   0.4029   0.9885   0.4715   0.3298   0.7757  186.990   48.597  151.356   62.166 35.63455 78.90667 
1 1 1   18   17   47 o  161.393   37.930   0.7266   0.4060   1.0383   0.4854   0.0000   0.7410  190.499   49.209  132.287   57.735 58.21179 75.86093 
1 1 1   18   17   49 o  343.631   53.488   3.9781   0.9774   5.5257   1.3228   2.1177   1.4504  436.769   58.908  250.493   89.295 186.2764 106.9758 
1 1 1   18   17   51 o  200.157   45.333   1.1516   0.4771   1.0489   0.5506   1.4611   0.9561  187.181   54.139  213.133   72.729 -25.95190 90.66677 
1 1 1   18   18    0 o  1619.03   45.455   67.783   3.6464   67.141   4.5976   68.871   5.9868  1610.53   55.676  1627.52   71.868 -0.000000 0.000000 
1 1 1   18   18    2 f  414.833   47.587   4.9652   0.7535   5.2314   0.8429   3.9062   1.6812  450.462   36.396  379.205   87.940 71.25702 95.17415 
1 1 1   18   18    4 o  615.112   40.448   9.7112   1.0104   9.6573   1.1240   9.9384   2.3068  612.057   35.720  618.168   72.583 -6.110413 80.89620 
1 1 1   18   18    6 f  1474.86   41.114   56.551   2.4777   56.686   2.7671   56.006   5.5647  1482.75   36.298  1466.97   73.783 15.77966 82.22789 
1 1 1   18   18    8 o  2315.72   49.601  139.173   5.8784  136.586   7.9111  142.364   8.7838  2292.87   67.110  2338.58   73.057 -45.71387 99.20198 
1 1 1   18   18   10 o  643.974   47.023   10.852   1.4896   11.044   1.8640   10.512   2.4780  652.982   55.523  634.965   75.908 18.01691 94.04662 
1 1 1   18   18   12 o  422.093   49.732   4.7010   1.0086   4.6707   1.2591   4.7552   1.6850  424.438   57.701  419.748   81.017 4.690033 99.46413 
1 1 1   18   18   14 o  1185.12   40.524   35.945   2.1001   35.506   2.3985   37.386   4.3477  1172.65   39.783  1197.59   70.612 -24.93909 81.04742 
1 1 1   18   18   16 f  781.488   40.052   15.777   1.6092   15.777   1.6092   0.0000   0.0000  781.488   40.052  ?   ?       ?      ? 
1 1 1   18   18   18 o  213.668   39.528   1.2170   0.4182   1.2170   0.4182   0.0000   0.0000  213.668   39.528  ?   ?       ?      ? 
1 1 1   18   18   20 o  645.697   40.548   10.789   1.3461   10.789   1.3461   0.0000   0.0000  645.697   40.548  ?   ?       ?      ? 
1 1 1   18   18   22 o  602.734   35.179   8.6699   0.8901   8.1530   0.9899   10.852   2.0339  561.581   34.287  643.886   61.439 -82.30438 70.35809 
1 1 1   18   18   24 o  635.654   43.127   11.997   1.0436   12.869   1.1675   8.5325   2.3280  705.445   32.191  565.864   80.022 139.5814 86.25377 
1 1 1   18   18   26 o  648.684   40.551   11.420   1.1967   11.892   1.4159   10.238   2.2393  676.409   40.715  620.959   70.142 55.44916 81.10187 
1 1 1   18   18   28 f  644.224   39.822   11.753   1.0349   12.349   1.1683   9.5823   2.2307  690.154   32.926  598.293   72.520 91.86096 79.64495 
1 1 1   18   18   30 o  1032.69   38.323   28.356   1.8478   28.644   2.2035   27.673   3.3918  1047.49   40.915  1017.90   64.811 29.59509 76.64590 
1 1 1   18   18   32 o  912.771   39.254   22.512   1.6639   23.061   1.9856   21.217   3.0491  938.484   41.153  887.057   66.857 51.42786 78.50803 
1 1 1   18   18   34 f  690.549   34.587   12.447   1.2279   12.447   1.2279   0.0000   0.0000  690.549   34.587  ?   ?       ?      ? 
1 1 1   18   18   36 f  563.954   37.449   7.9004   1.0253   6.7705   1.2293   10.483   1.8587  504.806   47.366  623.103   58.019 -118.2970 74.89857 
1 1 1   18   18   38 o  654.111   34.860   10.453   1.0031   9.6071   1.1341   13.493   2.1493  604.525   36.490  703.697   59.409 -99.17188 69.72047 
1 1 1   18   18   40 o  312.208   43.323   2.4997   0.6167   2.1440   0.7221   3.4583   1.1854  277.693   52.503  346.723   68.927 -69.02997 86.64590 
1 1 1   18   18   42 o  465.469   35.670   5.1459   0.7289   4.5549   0.8194   7.3873   1.5956  414.436   38.454  516.503   60.088 -102.0670 71.33902 
1 1 1   18   18   44 o  786.528   39.796   17.236   1.4879   17.401   1.8037   16.883   2.6321  803.928   43.640  769.127   66.562 34.80145 79.59267 
1 1 1   18   18   46 o  678.521   40.930   12.985   1.3207   12.987   1.5991   12.981   2.3422  690.570   45.040  666.472   68.357 24.09717 81.86093 
1 1 1   18   18   48 o  294.737   47.049   2.6688   0.6596   2.7524   0.7861   2.4699   1.2123  314.577   48.604  274.896   80.573 39.68173 94.09772 
1 1 1   18   18   50 o  425.784   40.661   5.0189   0.7373   4.7958   0.8320   5.8348   1.5913  419.097   38.615  432.472   71.570 -13.37497 81.32301 
1 1 1   18   19    1 o  1171.20   30.922   35.438   1.8607   36.731   2.6225   34.127   2.6405  1192.83   42.762  1149.56   44.677 43.27039 61.84380 
1 1 1   18   19    3 o  2798.73   28.414  201.984   4.0192  201.415   5.2223  202.810   6.2949  2794.85   36.344  2802.60   43.687 -7.752686 56.82851 
1 1 1   18   19    5 o  1904.09   26.040   93.394   2.5477   89.796   3.5352   97.281   3.6748  1865.98   36.850  1942.21   36.802 -76.22351 52.07938 
1 1 1   18   19    7 f  869.184   40.903   18.929   1.4802   18.489   1.6534   20.707   3.3218  846.585   37.988  891.782   72.451 -45.19745 81.80659 
1 1 1   18   19    9 o  1431.07   42.288   52.520   2.7009   51.917   3.1154   54.345   5.4194  1417.85   42.738  1444.28   72.984 -26.42322 84.57687 
1 1 1   18   19   11 o  828.383   40.782   16.939   1.5204   16.091   1.7464   19.594   3.0902  789.234   43.040  867.532   69.284 -78.29877 81.56379 
1 1 1   18   19   13 o  453.577   46.049   5.2358   1.0433   4.8868   1.3092   5.8432   1.7270  433.839   58.697  473.315   70.971 -39.47556 92.09883 
1 1 1   18   19   15 o  1144.31   56.200   33.991   3.3064   33.991   3.3064   0.0000   0.0000  1144.31   56.200  ?   ?       ?      ? 
1 1 1   18   19   17 o  972.577   56.719   24.585   2.8361   24.585   2.8361   0.0000   0.0000  972.577   56.719  ?   ?       ?      ? 
1 1 1   18   19   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   21 o  392.266   41.367   3.9881   0.8343   3.9881   0.8343   0.0000   0.0000  392.266   41.367  ?   ?       ?      ? 
1 1 1   18   19   23 o  766.461   33.196   15.196   1.3081   15.196   1.3081   0.0000   0.0000  766.461   33.196  ?   ?       ?      ? 
1 1 1   18   19   25 o  320.082   45.124   2.6691   0.7426   2.6691   0.7426   0.0000   0.0000  320.082   45.124  ?   ?       ?      ? 
1 1 1   18   19   27 o  350.074   39.148   3.1167   0.5470   3.0135   0.6084   3.5522   1.2500  340.802   34.721  359.346   70.176 -18.54456 78.29552 
1 1 1   18   19   29 o  349.029   35.340   2.5996   0.5261   2.2008   0.5814   4.4026   1.2361  290.606   38.911  407.452   59.006 -116.8461 70.68098 
1 1 1   18   19   31 o  203.688   45.259   1.1299   0.5504   1.4582   0.6990   0.5943   0.8928  229.651   58.912  177.725   68.724 51.92607 90.51851 
1 1 1   18   19   33 o  468.864   35.191   5.7387   0.8483   5.7387   0.8483   0.0000   0.0000  468.864   35.191  ?   ?       ?      ? 
1 1 1   18   19   35 o  671.838   40.102   12.974   1.1110   13.665   1.2661   10.662   2.3171  723.009   34.060  620.667   72.613 102.3425 80.20440 
1 1 1   18   19   37 o  236.025   39.791   1.2761   0.4046   1.0533   0.4516   2.1821   0.9108  195.322   45.772  276.729   65.102 -81.40691 79.58245 
1 1 1   18   19   39 o  588.949   40.513   10.092   0.9810   10.628   1.1179   8.2955   2.0461  636.173   34.178  541.726   73.465 94.44720 81.02570 
1 1 1   18   19   41 o  374.074   35.893   3.2851   0.6008   2.8325   0.6796   4.9042   1.2852  326.446   40.490  421.703   59.278 -95.25668 71.78699 
1 1 1   18   19   43 o  388.842   45.991   4.4571   0.7953   4.6494   0.9480   4.0002   1.4613  415.615   44.365  362.068   80.576 53.54660 91.98180 
1 1 1   18   19   45 o  607.989   45.397   10.052   1.4190   10.052   1.4190   0.0000   0.0000  607.989   45.397  ?   ?       ?      ? 
1 1 1   18   19   47 o  260.956   43.025   2.0955   0.4905   2.1793   0.5499   1.7692   1.0851  284.587   37.583  237.324   77.409 47.26225 86.04974 
1 1 1   18   19   49 o  270.165   47.794   2.2667   0.5962   2.2881   0.6748   2.1905   1.2735  286.703   45.778  253.628   83.914 33.07426 95.58878 
1 1 1   18   20    0 o  314.589   55.294   2.7374   0.7520   4.1458   1.3051   2.0373   0.9202  380.386   75.045  248.793   81.227 0.000000 0.000000 
1 1 1   18   20    2 o  1269.29   28.521   41.254   1.8375   39.639   2.3939   43.570   2.8668  1239.62   37.562  1298.95   42.928 -59.32581 57.04144 
1 1 1   18   20    4 o  1001.60   28.462   25.686   1.4468   24.676   1.8840   27.139   2.2587  978.047   37.467  1025.15   42.854 -47.10577 56.92315 
1 1 1   18   20    6 o  557.848   45.941   8.7039   1.0225   9.1221   1.1484   7.1036   2.2463  594.640   37.565  521.056   83.852 73.58307 91.88228 
1 1 1   18   20    8 o  466.149   34.010   5.6705   0.8067   5.1602   1.1949   6.0980   1.0936  446.462   52.056  485.835   43.784 -39.37360 68.02077 
1 1 1   18   20   10 o  1000.48   44.946   25.875   2.3119   0.0000   0.0000   25.875   2.3119  ?   ?   1000.48   44.946      ?      ? 
1 1 1   18   20   12 o  1039.29   35.298   27.252   1.8537   31.898   2.9762   24.308   2.3693  1109.42   52.180  969.149   47.551 140.2745 70.59636 
1 1 1   18   20   14 o  897.223   41.498   20.806   1.9143   20.806   1.9143   0.0000   0.0000  897.223   41.498  ?   ?       ?      ? 
1 1 1   18   20   16 o  360.681   44.173   3.2831   0.6847   3.1314   0.7806   3.7891   1.4258  347.850   43.646  373.513   76.813 -25.66299 88.34677 
1 1 1   18   20   18 o  1222.06   41.604   39.418   2.2423   39.891   2.5876   37.994   4.4928  1241.48   40.540  1202.63   72.663 38.85083 83.20723 
1 1 1   18   20   20 o  374.529   49.282   3.4968   0.9044   2.6683   1.1247   5.0131   1.5215  312.313   71.578  436.746   67.761 -124.4334 98.56456 
1 1 1   18   20   22 o  628.859   45.748   10.422   1.4489   10.481   1.8742   10.334   2.2841  632.596   57.627  625.121   71.069 7.475647 91.49683 
1 1 1   18   20   24 o  551.553   58.959   7.9989   1.6719   7.9989   1.6719   0.0000   0.0000  551.553   58.959  ?   ?       ?      ? 
1 1 1   18   20   26 o  349.596   43.579   3.1873   0.7833   3.1873   0.7833   0.0000   0.0000  349.596   43.579  ?   ?       ?      ? 
1 1 1   18   20   28 o  272.590   35.120   1.9312   0.4922   1.9312   0.4922   0.0000   0.0000  272.590   35.120  ?   ?       ?      ? 
1 1 1   18   20   30 o  878.884   58.957   20.578   2.6640   20.578   2.6640   0.0000   0.0000  878.884   58.957  ?   ?       ?      ? 
1 1 1   18   20   32 o  641.235   34.537   10.724   1.1386   10.724   1.1386   0.0000   0.0000  641.235   34.537  ?   ?       ?      ? 
1 1 1   18   20   34 o  455.391   39.352   5.5039   0.7393   5.4626   0.8281   5.6666   1.6419  456.963   35.246  453.820   70.370 3.142792 78.70325 
1 1 1   18   20   36 o  254.565   41.654   2.1416   0.5592   2.7730   0.6660   0.6337   1.0292  324.272   39.948  184.857   73.105 139.4148 83.30830 
1 1 1   18   20   38 f  656.500   38.096   11.816   1.0637   11.955   1.2114   11.347   2.2226  674.557   34.930  638.444   67.713 36.11334 76.19171 
1 1 1   18   20   40 o  340.224   43.286   2.9380   0.6595   2.5945   0.7603   3.9818   1.3254  310.672   47.602  369.776   72.309 -59.10394 86.57133 
1 1 1   18   20   42 o  181.708   40.942   0.9655   0.4347   1.1656   0.4994   0.3399   0.8831  203.683   48.407  159.733   66.043 43.94931 81.88385 
1 1 1   18   20   44 o  558.794   44.310   8.4520   1.2730   8.4520   1.2730   0.0000   0.0000  558.794   44.310  ?   ?       ?      ? 
1 1 1   18   20   46 o  328.042   44.529   2.8402   0.6771   2.2667   0.8014   4.2717   1.2660  278.498   57.860  377.586   67.702 -99.08817 89.05797 
1 1 1   18   20   48 o  234.080   43.036   1.7735   0.5331   2.0472   0.6322   1.0998   0.9920  271.921   45.222  196.238   73.234 75.68303 86.07102 
1 1 1   18   20   50 o  398.822   45.373   4.8246   0.7203   4.8011   0.8118   4.9118   1.5621  418.847   37.699  378.798   82.544 40.04852 90.74580 
1 1 1   18   21    1 o  313.275   31.911   2.5357   0.5139   2.5619   0.7328   2.5103   0.7209  314.865   45.267  311.686   44.990 3.178406 63.82154 
1 1 1   18   21    3 o  1000.83   33.387   25.996   1.5821   26.152   1.9015   25.643   2.8520  1006.89   36.732  994.777   55.763 12.10834 66.77403 
1 1 1   18   21    5 o  187.434   34.631   0.9445   0.3387   1.0514   0.4716   0.8307   0.4867  197.724   47.074  177.145   50.805 20.57904 69.26111 
1 1 1   18   21    7 o  1005.90   42.040   26.380   1.9583   25.993   3.6630   26.535   2.3172  998.579   71.349  1013.23   44.483 -14.64984 84.07977 
1 1 1   18   21    9 o  583.069   39.060   9.2494   1.1012   7.3320   1.7819   10.434   1.4006  530.755   65.303  635.384   42.876 -104.6288 78.12021 
1 1 1   18   21   11 o  1261.08   39.956   41.286   2.5902   41.911   3.6581   40.658   3.6683  1270.75   55.991  1251.40   57.016 19.35034 79.91145 
1 1 1   18   21   13 o  871.289   34.855   19.319   1.5029   18.437   1.8667   20.942   2.5338  844.364   43.000  898.214   54.868 -53.85065 69.71021 
1 1 1   18   21   15 o  947.180   31.142   23.506   1.4979   26.000   2.0432   20.608   2.2025  1002.80   39.630  891.564   48.049 111.2314 62.28353 
1 1 1   18   21   17 o  1623.50   30.161   67.908   2.5099   63.463   3.3937   73.275   3.7292  1565.32   42.169  1681.68   43.133 -116.3622 60.32137 
1 1 1   18   21   19 o  730.456   46.663   13.861   1.7195   13.266   2.2068   14.781   2.7431  711.987   60.287  748.926   71.241 -36.93842 93.32664 
1 1 1   18   21   21 o  457.404   47.765   5.9930   0.8996   6.3647   1.0383   4.8741   1.8015  495.230   40.779  419.578   86.390 75.65231 95.53063 
1 1 1   18   21   23 o  450.539   50.431   5.6061   1.0933   6.0894   1.4093   4.8759   1.7324  481.596   56.919  419.481   83.266 62.11563 100.8617 
1 1 1   18   21   25 o  474.458   46.807   5.8879   1.1321   5.2834   1.4876   6.7199   1.7450  446.275   64.835  502.641   67.527 -56.36649 93.61341 
1 1 1   18   21   27 o  756.950   46.443   15.499   1.7692   16.563   2.3324   14.057   2.7151  791.281   57.334  722.619   73.081 68.66272 92.88689 
1 1 1   18   21   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   31 o  362.730   34.597   3.4309   0.6452   3.4309   0.6452   0.0000   0.0000  362.730   34.597  ?   ?       ?      ? 
1 1 1   18   21   33 o  323.319   36.559   2.7372   0.6077   2.7372   0.6077   0.0000   0.0000  323.319   36.559  ?   ?       ?      ? 
1 1 1   18   21   35 o  487.744   39.429   6.3386   0.7993   6.2837   0.8975   6.5493   1.7574  489.488   35.662  486.001   70.335 3.486816 78.85891 
1 1 1   18   21   37 o  199.030   39.190   0.8521   0.3414   0.6826   0.3761   1.6469   0.8143  157.937   44.442  240.123   64.563 -82.18617 78.38045 
1 1 1   18   21   39 o  522.111   46.667   7.5974   1.2488   7.4663   1.6954   7.7528   1.8463  518.680   63.576  525.541   68.332 -6.860962 93.33399 
1 1 1   18   21   41 o  270.084   45.115   1.9892   0.5613   1.8372   0.6540   2.4147   1.0939  255.893   51.492  284.275   74.094 -28.38185 90.22943 
1 1 1   18   21   43 o  504.573   43.833   6.8721   1.1371   6.8721   1.1371   0.0000   0.0000  504.573   43.833  ?   ?       ?      ? 
1 1 1   18   21   45 o  535.284   56.355   10.804   1.0636   12.423   1.2132   5.4308   2.2109  682.824   34.559  387.744  107.280 295.0800 112.7094 
1 1 1   18   21   47 o  120.636   33.232   0.3104   0.2357   0.3533   0.2514   0.0000   0.6765  115.350   37.235  125.922   55.055 -10.57172 66.46447 
1 1 1   18   21   49 o  373.086   46.512   4.0441   0.8009   3.6807   0.9499   4.9379   1.4898  358.356   51.557  387.817   77.428 -29.46045 93.02328 
1 1 1   18   22    0 o  887.761   55.142   20.577   2.4945   20.577   2.4945   0.0000   0.0000  887.761   55.142  887.761   55.142 -0.000000 0.000000 
1 1 1   18   22    2 o  506.232   35.370   6.6948   0.8888   6.8810   1.1283   6.3905   1.4427  516.076   42.526  496.388   56.530 19.68872 70.73966 
1 1 1   18   22    4 o  736.129   35.333   13.711   1.3181   12.240   1.6979   15.941   2.0912  687.790   48.015  784.468   51.849 -96.67780 70.66661 
1 1 1   18   22    6 o  978.856   68.184   24.970   3.4314   24.970   3.4314   0.0000   0.0000  978.856   68.184  ?   ?       ?      ? 
1 1 1   18   22    8 o  1154.68   33.948   34.366   1.8841   34.098   2.2857   34.935   3.3282  1149.08   38.689  1160.27   55.794 -11.18225 67.89568 
1 1 1   18   22   10 o  1652.67   35.559   70.780   2.9248   70.798   3.7000   70.749   4.7752  1654.61   43.495  1650.73   56.266 3.878662 71.11722 
1 1 1   18   22   12 o  937.735   30.942   22.735   1.4895   22.437   2.0447   23.071   2.1741  931.352   42.702  944.117   44.791 -12.76489 61.88478 
1 1 1   18   22   14 o  919.516   30.824   21.866   1.4542   21.455   1.9860   22.340   2.1352  910.401   42.430  928.631   44.723 -18.22986 61.64781 
1 1 1   18   22   16 o  1649.83   30.480   70.420   2.5786   68.883   3.5049   72.233   3.8071  1630.65   41.807  1669.02   44.367 -38.37500 60.96101 
1 1 1   18   22   18 o  1189.20   47.673   37.566   2.8477   39.154   3.7043   35.272   4.4526  1223.41   58.893  1154.98   74.984 68.42908 95.34665 
1 1 1   18   22   20 f  637.763   31.503   10.744   1.0160   12.006   1.3767   9.2344   1.5055  680.353   39.359  595.174   49.199 85.17877 63.00520 
1 1 1   18   22   22 o  1008.29   46.664   27.072   2.3658   27.846   3.0717   25.943   3.7094  1029.34   58.043  987.232   73.082 42.10944 93.32772 
1 1 1   18   22   24 o  787.818   40.602   16.112   1.4394   15.853   1.6671   16.868   2.8529  780.193   41.561  795.443   69.761 -15.25024 81.20342 
1 1 1   18   22   26 o  815.219   39.709   16.942   1.4799   16.243   1.7196   18.938   2.9059  788.676   42.409  841.762   67.147 -53.08661 79.41840 
1 1 1   18   22   28 o  605.399   46.257   9.5707   1.4200   7.9205   1.8478   11.951   2.2192  543.063   66.182  667.734   64.645 -124.6713 92.51487 
1 1 1   18   22   30 o  671.657   60.307   12.097   2.0825   12.097   2.0825   0.0000   0.0000  671.657   60.307  ?   ?       ?      ? 
1 1 1   18   22   32 o  603.052   61.631   9.8348   1.9108   9.8348   1.9108   0.0000   0.0000  603.052   61.631  ?   ?       ?      ? 
1 1 1   18   22   34 o  240.466   39.952   1.5235   0.4939   1.5235   0.4939   0.0000   0.0000  240.466   39.952  ?   ?       ?      ? 
1 1 1   18   22   36 o  626.631   44.175   10.439   1.4232   10.439   1.4232   0.0000   0.0000  626.631   44.175  ?   ?       ?      ? 
1 1 1   18   22   38 o  498.034   39.919   6.4844   0.9422   6.0584   1.1178   7.5294   1.7509  475.971   45.678  520.096   65.481 -44.12436 79.83852 
1 1 1   18   22   40 o  257.199   42.184   1.5903   0.4397   1.4171   0.4818   2.4516   1.0745  226.945   42.868  287.453   72.665 -60.50830 84.36734 
1 1 1   18   22   42 o  143.704   46.763   0.5492   0.3961   0.5492   0.3961   0.0000   0.0000  143.704   46.763  ?   ?       ?      ? 
1 1 1   18   22   44 o  222.733   43.427   1.4098   0.4372   1.3967   0.4840   1.4679   1.0186  223.567   43.678  221.899   75.073 1.668015 86.85439 
1 1 1   18   22   46 o  153.756   40.675   0.5844   0.4093   0.6566   0.4750   0.3760   0.8067  154.555   51.255  152.956   63.173 1.598129 81.34998 
1 1 1   18   22   48 o  193.573   42.449   1.1763   0.4522   1.3004   0.5169   0.7713   0.9335  211.213   48.607  175.933   69.608 35.27940 84.89894 
1 1 1   18   23    1 o  565.542   31.356   8.2992   0.9074   9.1858   1.2798   7.4030   1.2868  596.208   41.752  534.875   46.792 61.33289 62.71144 
1 1 1   18   23    3 o  1238.29   31.217   39.649   1.9872   40.310   2.8218   38.998   2.7991  1248.57   43.958  1228.02   44.335 20.55676 62.43318 
1 1 1   18   23    5 o  1502.05   42.926   57.802   3.0432   56.534   3.6251   60.830   5.6008  1477.79   47.713  1526.31   71.373 -48.52759 85.85263 
1 1 1   18   23    7 o  256.567   32.540   1.7052   0.4178   1.4772   0.5543   2.0051   0.6358  234.715   47.563  278.419   44.421 -43.70354 65.07977 
1 1 1   18   23    9 f  1464.87   29.678   55.480   2.2062   55.444   2.8965   55.530   3.4048  1464.99   38.457  1464.74   45.213 0.2471924 59.35567 
1 1 1   18   23   11 o  721.216   31.819   13.515   1.1759   14.316   1.6329   12.651   1.6949  743.777   42.702  698.656   47.185 45.12109 63.63873 
1 1 1   18   23   13 o  468.294   31.724   5.6713   0.7628   5.3037   1.0529   6.0775   1.1067  452.321   45.275  484.268   44.451 -31.94733 63.44879 
1 1 1   18   23   15 f  203.975   34.646   1.1221   0.3670   0.7546   0.5126   1.5086   0.5257  170.587   52.930  237.363   44.718 -66.77635 69.29104 
1 1 1   18   23   17 o  886.500   42.221   20.367   1.6478   20.168   1.8900   20.998   3.3648  881.742   41.691  891.258   73.433 -9.515686 84.44269 
1 1 1   18   23   19 o  751.200   30.737   14.523   1.1772   12.127   1.5874   17.451   1.7547  682.697   45.227  819.703   41.636 -137.0058 61.47387 
1 1 1   18   23   21 o  709.547   30.626   13.067   1.1132   12.680   1.5029   13.539   1.6571  698.213   41.867  720.882   44.710 -22.66949 61.25261 
1 1 1   18   23   23 o  1075.84   30.360   30.053   1.6734   28.807   2.2567   31.576   2.4942  1051.57   41.741  1100.11   44.099 -48.54358 60.72065 
1 1 1   18   23   25 o  675.140   40.427   11.637   1.2328   11.197   1.4239   12.955   2.4639  654.822   42.294  695.458   68.910 -40.63580 80.85389 
1 1 1   18   23   27 o  1370.99   45.051   49.533   3.1434   45.056   4.1051   55.881   4.8876  1299.15   61.460  1442.83   65.888 -143.6881 90.10271 
1 1 1   18   23   29 o   88.737   37.851   0.0000   0.3046   0.0000   0.3046   0.0000   0.0000   88.737   37.851  ?   ?       ?      ? 
1 1 1   18   23   31 o  239.790   50.327   1.6305   0.6656   1.7939   0.8593   1.3852   1.0526  252.274   65.626  227.305   76.319 24.96887 100.6541 
1 1 1   18   23   33 o  193.718   45.711   0.7365   0.5464   0.2373   0.6709   1.7194   0.9415  141.635   57.952  245.801   70.707 -104.1662 91.42162 
1 1 1   18   23   35 o  488.318   48.821   6.6772   1.2111   7.0042   1.6243   6.2679   1.8175  505.206   62.536  471.430   74.988 33.77649 97.64151 
1 1 1   18   23   37 o  406.733   62.994   4.5736   1.3173   4.5736   1.3173   0.0000   0.0000  406.733   62.994  ?   ?       ?      ? 
1 1 1   18   23   39 o  193.504   51.138   1.0523   0.5164   1.0523   0.5164   0.0000   0.0000  193.504   51.138  ?   ?       ?      ? 
1 1 1   18   23   41 o  238.353   53.954   1.6185   0.6458   1.6185   0.6458   0.0000   0.0000  238.353   53.954  ?   ?       ?      ? 
1 1 1   18   23   43 o  135.785   36.525   0.2712   0.2845   0.1692   0.3137   0.7447   0.6757  102.020   40.355  169.551   60.893 -67.53099 73.05080 
1 1 1   18   23   45 o  455.401   51.138   6.8548   0.9769   7.6398   1.1614   4.9555   1.8064  529.252   42.681  381.549   92.946 147.7024 102.2768 
1 1 1   18   23   47 f  405.999   37.125   3.8498   0.6662   3.1372   0.7465   6.6383   1.4767  337.150   43.065  474.848   60.486 -137.6982 74.25085 
1 1 1   18   24    0 o  100.612   42.827   0.2494   0.3179   0.3339   0.7665   0.2318   0.3494  115.924   70.069   85.299   49.263 0.000000 0.000000 
1 1 1   18   24    2 o  1199.09   43.361   37.583   2.3376   37.776   2.7184   37.034   4.5797  1208.54   43.750  1189.64   74.878 18.89465 86.72246 
1 1 1   18   24    4 o  442.161   51.335   5.5853   0.9797   6.0470   1.1560   4.4090   1.8454  483.296   46.525  401.026   91.523 82.26950 102.6694 
1 1 1   18   24    6 o  784.453   27.900   15.921   1.1232   15.562   1.6274   16.248   1.5521  775.847   40.798  793.059   38.067 -17.21173 55.79946 
1 1 1   18   24    8 o  431.820   35.088   4.7500   0.7670   6.1018   1.1656   3.7174   1.0187  485.262   46.720  378.379   52.364 106.8820 70.17631 
1 1 1   18   24   10 o  133.128   32.604   0.4082   0.2728   0.3376   0.3755   0.4870   0.3969  125.381   45.348  140.875   46.857 -15.49414 65.20724 
1 1 1   18   24   12 o  714.496   31.929   13.251   1.1719   13.574   1.6368   12.911   1.6785  723.593   43.997  705.398   46.283 18.19519 63.85820 
1 1 1   18   24   14 o  855.797   31.111   18.985   1.3667   18.658   1.8739   19.355   1.9975  848.136   42.975  863.457   44.997 -15.32056 62.22258 
1 1 1   18   24   16 o  890.532   47.676   22.603   1.7709   24.094   2.0308   17.870   3.6178  963.713   40.987  817.351   86.093 146.3622 95.35210 
1 1 1   18   24   18 o  406.628   38.610   4.1269   0.7834   5.1930   1.3170   3.5432   0.9745  444.968   57.569  368.288   51.465 76.68030 77.21936 
1 1 1   18   24   20 o  609.859   31.176   9.6346   0.9743   9.0410   1.3141   10.359   1.4519  589.247   43.376  630.472   44.793 -41.22504 62.35247 
1 1 1   18   24   22 o  987.512   30.710   25.401   1.5527   25.054   2.0963   25.824   2.3112  980.643   41.579  994.381   45.208 -13.73749 61.42073 
1 1 1   18   24   24 o  1360.32   30.564   48.458   2.1256   49.368   2.8749   47.361   3.1569  1375.72   40.647  1344.92   45.655 30.79810 61.12765 
1 1 1   18   24   26 o  159.199   39.092   0.5774   0.3810   0.7770   0.6301   0.4623   0.4784  175.546   59.046  142.852   51.247 32.69398 78.18349 
1 1 1   18   24   28 o  381.813   62.960   3.9217   1.2359   3.9217   1.2359   0.0000   0.0000  381.813   62.960  ?   ?       ?      ? 
1 1 1   18   24   30 f  701.063   39.615   12.216   1.2799   11.130   1.4817   15.407   2.5399  649.449   44.377  752.678   65.637 -103.2288 79.23063 
1 1 1   18   24   32 o  614.901   42.902   10.508   1.1831   10.803   1.3868   9.7177   2.2673  639.639   42.171  590.162   74.726 49.47675 85.80436 
1 1 1   18   24   34 o  450.842   54.612   6.1874   1.1655   7.9915   1.5638   3.9327   1.7482  543.199   55.995  358.485   93.778 184.7134 109.2237 
1 1 1   18   24   36 o  495.153   52.030   6.8253   1.2433   4.6545   1.6381   9.7750   1.9095  395.040   83.280  595.266   62.394 -200.2265 104.0601 
1 1 1   18   24   38 o  456.083   51.413   6.1187   1.1411   6.8775   1.5238   5.1499   1.7218  499.131   59.382  413.034   83.945 86.09711 102.8252 
1 1 1   18   24   40 o  459.917   45.844   5.7114   1.0840   5.7114   1.0840   0.0000   0.0000  459.917   45.844  ?   ?       ?      ? 
1 1 1   18   24   42 o  304.111   39.555   2.4809   0.6184   2.4809   0.6184   0.0000   0.0000  304.111   39.555  ?   ?       ?      ? 
1 1 1   18   24   44 o  521.799   37.207   7.3139   0.9982   7.3139   0.9982   0.0000   0.0000  521.799   37.207  ?   ?       ?      ? 
1 1 1   18   24   46 o  351.042   48.307   3.8838   0.6617   3.9590   0.7352   3.5625   1.5189  382.330   37.402  319.754   89.080 62.57675 96.61364 
1 1 1   18   24   48 o  361.980   52.096   5.1536   0.8841   6.2054   1.0410   2.4323   1.6745  471.778   42.919  252.181   94.943 219.5968 104.1927 
1 1 1   18   25    1 o  122.262   33.987   0.2568   0.2651   0.3104   0.2915   0.0000   0.6381  115.696   40.126  128.828   54.866 -13.13209 67.97321 
1 1 1   18   25    3 o  548.827   32.294   7.8015   0.9088   8.5866   1.3020   7.0558   1.2690  575.898   43.974  521.756   47.306 54.14172 64.58757 
1 1 1   18   25    5 o  576.725   30.663   8.6794   0.9003   9.2234   1.2164   8.0204   1.3388  597.208   39.616  556.241   46.813 40.96680 61.32623 
1 1 1   18   25    7 o  209.454   36.951   1.1953   0.3873   1.1047   0.6436   1.2467   0.4850  203.543   58.434  215.364   45.244 -11.82149 73.90244 
1 1 1   18   25    9 o  1968.34   32.531  100.446   3.2896  102.064   4.7601   98.966   4.5514  1983.24   46.684  1953.43   45.319 29.80640 65.06283 
1 1 1   18   25   11 o  354.483   34.006   3.2814   0.6155   3.7048   0.8680   2.8532   0.8729  377.857   44.681  331.108   51.275 46.74927 68.01165 
1 1 1   18   25   13 o  1813.99   31.474   85.441   2.9331   85.046   4.0668   85.868   4.2344  1809.96   43.703  1818.03   45.303 -8.063477 62.94716 
1 1 1   18   25   15 o  668.822   31.638   11.651   1.0850   11.954   1.4928   11.312   1.5796  678.368   42.804  659.276   46.602 19.09265 63.27670 
1 1 1   18   25   17 o  551.820   38.471   7.8504   1.0521   8.4386   1.7635   7.5253   1.3110  566.406   60.557  537.235   47.463 29.17157 76.94116 
1 1 1   18   25   19 o  420.382   31.763   4.5893   0.6849   4.1875   0.9382   5.0478   1.0021  400.677   45.542  440.087   44.288 -39.40942 63.52595 
1 1 1   18   25   21 o  389.581   34.031   4.1136   0.6566   4.9577   0.8876   3.0931   0.9759  436.447   39.555  342.715   55.388 93.73181 68.06139 
1 1 1   18   25   23 o  707.765   31.073   13.093   1.1262   13.008   1.5242   13.196   1.6713  705.742   42.007  709.789   45.799 -4.046753 62.14679 
1 1 1   18   25   25 o  191.923   43.537   0.9525   0.4880   1.1501   0.7217   0.7860   0.6625  206.296   62.583  177.551   60.541 28.74445 87.07348 
1 1 1   18   25   27 o  123.320   44.624   0.3360   0.3637   0.3360   0.3637   0.0000   0.0000  123.320   44.624  ?   ?       ?      ? 
1 1 1   18   25   29 o  232.760   43.984   1.6525   0.5281   1.9136   0.5992   0.7434   1.1181  269.476   43.248  196.044   76.602 73.43172 87.96774 
1 1 1   18   25   31 o  707.004   42.680   13.790   1.3622   14.079   1.5991   13.026   2.6011  730.045   42.604  683.964   73.968 46.08124 85.36069 
1 1 1   18   25   33 o  576.240   40.958   8.5794   1.0966   8.0204   1.2826   10.099   2.1146  549.037   45.438  603.443   68.160 -54.40649 81.91687 
1 1 1   18   25   35 o  435.047   47.334   5.3794   0.8849   5.4416   1.0286   5.2022   1.7362  451.919   44.269  418.175   83.679 33.74396 94.66710 
1 1 1   18   25   37 o  153.295   38.409   0.5734   0.4031   0.8378   0.4873   0.0000   0.7176  173.975   51.106  132.614   57.351 41.36090 76.81799 
1 1 1   18   25   39 o  353.246   81.826   3.8224   1.4569   0.0000   0.0000   3.8224   1.4569  ?   ?   353.246   81.826      ?      ? 
1 1 1   18   25   41 o  357.578   44.664   3.6007   0.7216   3.4853   0.8510   3.8958   1.3611  357.960   46.243  357.196   76.426 0.7631531 89.32739 
1 1 1   18   25   43 o  270.691   51.235   2.0914   0.6869   2.0914   0.6869   0.0000   0.0000  270.691   51.235  ?   ?       ?      ? 
1 1 1   18   25   45 o  562.720   46.777   8.8011   1.3533   8.8011   1.3533   0.0000   0.0000  562.720   46.777  ?   ?       ?      ? 
1 1 1   18   25   47 o  259.324   39.673   1.8491   0.5289   1.8491   0.5289   0.0000   0.0000  259.324   39.673  ?   ?       ?      ? 
1 1 1   18   26    0 o  1254.38   74.619   41.334   4.7733   0.0000   0.0000   41.334   4.7733  1254.38   74.619  1254.38   74.619 -0.000000 0.000000 
1 1 1   18   26    2 o  367.032   48.509   3.6808   0.7747   3.4258   1.5357   3.7679   0.8973  352.878   85.536  381.185   45.783 -28.30786 97.01843 
1 1 1   18   26    4 o  798.631   33.904   16.319   1.3802   18.414   2.1290   14.800   1.8127  842.013   49.179  755.249   46.683 86.76385 67.80808 
1 1 1   18   26    6 o  186.552   34.896   0.8334   0.3468   1.4319   0.5694   0.4804   0.4373  230.432   49.534  142.672   49.168 87.75963 69.79276 
1 1 1   18   26    8 f  347.963   36.372   3.1157   0.6470   3.5555   0.9768   2.7719   0.8636  369.596   51.404  326.330   51.473 43.26669 72.74490 
1 1 1   18   26   10 o  593.242   30.535   9.0983   0.9250   8.8504   1.2309   9.4199   1.4021  584.271   40.976  602.213   45.284 -17.94135 61.07071 
1 1 1   18   26   12 o  973.554   32.332   24.642   1.6180   23.974   2.2746   25.327   2.3020  960.109   46.081  986.998   45.365 -26.88916 64.66400 
1 1 1   18   26   14 o  1068.45   31.627   29.677   1.7357   29.207   2.3961   30.196   2.5179  1059.77   43.977  1077.13   45.466 -17.36743 63.25486 
1 1 1   18   26   16 o  1531.31   49.386   62.353   3.8168   62.953   4.9659   61.486   5.9664  1545.09   62.514  1517.53   76.472 27.56128 98.77200 
1 1 1   18   26   18 o  696.682   32.086   12.812   1.1354   14.282   1.5564   11.140   1.6599  740.867   40.861  652.496   49.481 88.37183 64.17161 
1 1 1   18   26   20 o  277.288   36.076   2.0766   0.4942   2.0529   0.6738   2.1041   0.7270  275.940   49.301  278.636   52.680 -2.695801 72.15107 
1 1 1   18   26   22 o  723.248   37.929   13.787   1.3658   13.867   2.2280   13.739   1.7288  722.583   59.973  723.912   46.449 -1.330017 75.85722 
1 1 1   18   26   24 o  185.266   41.989   0.8999   0.4667   0.5684   0.7064   1.1567   0.6218  165.047   61.759  205.484   56.906 -40.43729 83.97898 
1 1 1   18   26   26 o  143.428   34.485   0.4951   0.3150   0.6859   0.4275   0.2686   0.4658  160.177   48.070  126.678   49.459 33.49914 68.97022 
1 1 1   18   26   28 o  479.400   39.115   6.0676   0.9355   6.4997   1.5395   5.8146   1.1779  490.690   61.026  468.111   48.945 22.57895 78.22904 
1 1 1   18   26   30 o  203.865   36.559   1.1224   0.3912   0.7757   0.5257   1.5529   0.5857  170.425   53.716  237.304   49.607 -66.87883 73.11811 
1 1 1   18   26   32 o  709.747   41.777   13.114   1.3539   12.434   1.5709   15.076   2.6699  684.055   44.666  735.439   70.613 -51.38440 83.55396 
1 1 1   18   26   34 o  303.538   48.407   3.0823   0.6863   3.5703   0.7883   1.5546   1.3949  366.792   41.804  240.285   87.324 126.5070 96.81493 
1 1 1   18   26   36 o  274.855   50.066   2.0953   0.6814   2.0953   0.6814   0.0000   0.0000  274.855   50.066  ?   ?       ?      ? 
1 1 1   18   26   38 o  558.141   72.976   8.9950   2.0941   0.0000   0.0000   8.9950   2.0941  ?   ?   558.141   72.976      ?      ? 
1 1 1   18   26   40 o  542.686   58.341   10.617   1.2424   12.717   1.4781   5.5604   2.2935  687.513   41.817  397.859  108.932 289.6541 116.6830 
1 1 1   18   26   42 o  373.426   46.330   3.9572   0.7762   3.7730   0.9096   4.4504   1.4887  370.270   47.780  376.583   79.392 -6.313202 92.66087 
1 1 1   18   26   44 o  551.013   43.369   8.5976   1.1076   8.2451   1.3050   9.5059   2.0947  545.407   46.539  556.620   73.196 -11.21368 86.73851 
1 1 1   18   26   46 o  240.561   36.888   1.2166   0.4600   0.4528   0.5366   3.3314   0.8929  139.543   53.458  341.580   50.844 -202.0362 73.77607 
1 1 1   18   27    1 o  340.400   32.932   3.0182   0.5745   2.7894   0.8216   3.2372   0.8036  327.569   48.784  353.230   44.252 -25.66064 65.86450 
1 1 1   18   27    3 o  1305.18   29.649   44.079   1.9755   43.490   2.6338   44.838   2.9870  1295.83   39.533  1314.53   44.198 -18.69849 59.29830 
1 1 1   18   27    5 o  543.727   51.227   8.6316   1.0793   9.1774   1.2221   6.6967   2.3011  595.148   39.939  492.306   94.349 102.8423 102.4544 
1 1 1   18   27    7 f  213.480   32.798   1.2667   0.3652   0.6433   0.5328   1.8195   0.5017  161.848   54.295  265.114   36.808 -103.2662 65.59543 
1 1 1   18   27    9 o  542.427   31.119   7.5855   0.8644   6.9344   1.1632   8.3887   1.2919  516.657   43.791  568.197   44.225 -51.54004 62.23725 
1 1 1   18   27   11 o  664.369   33.210   11.506   1.1331   11.046   1.6169   11.950   1.5883  651.059   48.306  677.678   45.588 -26.61969 66.42086 
1 1 1   18   27   13 o  212.250   38.186   1.2118   0.4285   1.6350   0.6183   0.8207   0.5943  245.860   50.601  178.640   57.203 67.21977 76.37187 
1 1 1   18   27   15 o  378.614   55.800   3.9578   1.0299   3.9192   1.3177   4.0185   1.6511  378.530   70.298  378.699   86.675 -0.1697083 111.5991 
1 1 1   18   27   17 o  158.345   34.126   0.6459   0.3292   0.9708   0.4396   0.2310   0.4967  189.120   45.716  127.570   50.680 61.55047 68.25282 
1 1 1   18   27   19 o  364.464   33.229   3.4602   0.6210   3.1796   0.8444   3.7907   0.9164  348.437   47.138  380.491   46.847 -32.05493 66.45783 
1 1 1   18   27   21 o  574.597   39.618   9.0296   1.1148   7.6122   1.7881   9.9308   1.4258  533.537   65.188  615.657   45.045 -82.11963 79.23700 
1 1 1   18   27   23 o  291.766   40.025   2.3127   0.5582   2.3332   0.6886   2.2735   0.9536  298.078   44.931  285.453   66.251 12.62503 80.05003 
1 1 1   18   27   25 o  545.932   31.912   7.8462   0.8930   7.8111   1.2161   7.8874   1.3156  545.098   43.394  546.766   46.802 -1.667725 63.82383 
1 1 1   18   27   27 o  663.418   52.734   12.551   1.7138   13.915   2.2083   10.487   2.7175  718.519   59.779  608.317   86.890 110.2023 105.4679 
1 1 1   18   27   29 o  766.287   31.851   15.570   1.2502   15.672   1.7005   15.451   1.8442  770.048   42.952  762.526   47.042 7.522827 63.70123 
1 1 1   18   27   31 o  549.482   32.115   7.9961   0.9047   7.5658   1.2250   8.5125   1.3420  533.599   44.654  565.364   46.168 -31.76532 64.22992 
1 1 1   18   27   33 o  701.686   41.871   13.049   1.3460   12.543   1.5698   14.452   2.6160  686.113   44.502  717.259   70.939 -31.14587 83.74239 
1 1 1   18   27   35 o  611.846   42.809   10.094   1.2024   9.7943   1.4076   10.903   2.3123  604.798   45.270  618.895   72.671 -14.09729 85.61784 
1 1 1   18   27   37 o  428.620   85.052   5.6173   1.8081   0.0000   0.0000   5.6173   1.8081  ?   ?   428.620   85.052      ?      ? 
1 1 1   18   27   39 o  298.033   48.191   2.2249   0.6372   1.8071   0.7241   3.6578   1.3410  250.140   57.509  345.926   77.344 -95.78622 96.38185 
1 1 1   18   27   41 o  452.698   52.167   6.5255   0.9888   6.9503   1.1556   5.3644   1.9106  505.023   44.508  400.373   94.364 104.6500 104.3336 
1 1 1   18   27   43 o  409.743   52.614   5.4530   0.9071   5.7363   1.0503   4.6215   1.7995  456.525   44.751  362.961   95.239 93.56436 105.2284 
1 1 1   18   27   45 o  173.605   36.295   0.5526   0.3530   0.1391   0.4110   1.7156   0.6893  108.570   44.986  238.639   56.969 -130.0697 72.58926 
1 1 1   18   28    0 o  672.676   57.152   13.228   1.6626   9.7024   2.7548   15.247   2.0851  583.726  100.814  761.626   53.869 0.000000 0.000000 
1 1 1   18   28    2 f  1440.82   31.968   53.905   2.3666   56.660   3.3985   51.311   3.2975  1476.69   44.764  1404.95   45.652 71.73828 63.93681 
1 1 1   18   28    4 o  187.732   34.096   0.9331   0.3374   0.6535   0.4594   1.2604   0.4971  159.315   50.216  216.148   46.137 -56.83292 68.19263 
1 1 1   18   28    6 o  836.564   28.402   18.112   1.2199   18.989   1.7842   17.342   1.6716  855.458   40.566  817.670   39.764 37.78790 56.80482 
1 1 1   18   28    8 o  338.575   29.852   2.9765   0.5191   3.0146   0.7528   2.9419   0.7169  340.574   42.991  336.576   41.428 3.998169 59.70364 
1 1 1   18   28   10 o  640.160   31.119   10.680   1.0170   10.813   1.3652   10.514   1.5246  645.137   41.159  635.183   46.686 9.953491 62.23839 
1 1 1   18   28   12 f  1301.29   32.621   44.163   2.1816   43.848   3.1206   44.463   3.0512  1296.48   46.816  1306.10   45.439 -9.613647 65.24157 
1 1 1   18   28   14 o  264.863   47.732   1.6740   0.5677   1.4418   0.6423   2.5025   1.2135  229.819   55.078  299.907   77.974 -70.08798 95.46441 
1 1 1   18   28   16 o  552.170   32.444   7.9656   0.9203   7.8834   1.2728   8.0557   1.3321  549.346   45.064  554.994   46.687 -5.648071 64.88763 
1 1 1   18   28   18 f  312.653   37.668   2.6684   0.5779   3.2992   0.8084   2.0090   0.8265  355.201   44.265  270.106   60.961 85.09488 75.33651 
1 1 1   18   28   20 o  847.860   59.128   19.111   2.5774   0.0000   0.0000   19.111   2.5774  ?   ?   847.860   59.128      ?      ? 
1 1 1   18   28   22 o  949.229   36.507   23.991   1.6871   24.344   2.0871   23.326   2.8658  963.852   42.118  934.605   59.641 29.24762 73.01366 
1 1 1   18   28   24 o  708.704   31.867   13.208   1.1579   12.918   1.5732   13.551   1.7106  700.744   43.668  716.663   46.425 -15.91919 63.73492 
1 1 1   18   28   26 o  268.144   46.836   1.6486   0.5549   1.3163   0.6235   2.9136   1.2166  217.635   55.538  318.652   75.431 -101.0177 93.67104 
1 1 1   18   28   28 o  578.270   33.843   9.0991   0.9805   10.780   1.3430   7.1807   1.4348  639.441   40.852  517.099   53.969 122.3419 67.68650 
1 1 1   18   28   30 o  788.421   32.141   16.702   1.2882   18.249   1.7565   14.901   1.8951  830.758   41.124  746.084   49.406 84.67493 64.28214 
1 1 1   18   28   32 o  170.368   38.301   0.7683   0.3799   0.9451   0.5566   0.6141   0.5198  184.822   54.711  155.914   53.614 28.90791 76.60164 
1 1 1   18   28   34 o  644.276   32.857   11.170   1.0824   11.525   1.4727   10.753   1.5964  657.065   43.595  631.487   49.170 25.57776 65.71313 
1 1 1   18   28   36 o  288.030   54.923   2.6288   0.8652   3.2408   1.1093   1.6782   1.3825  333.910   66.946  242.151   87.088 91.75888 109.8457 
1 1 1   18   28   38 o  517.415   45.382   7.6472   1.0515   7.6995   1.2283   7.5037   2.0347  533.576   44.774  501.253   78.952 32.32327 90.76440 
1 1 1   18   28   40 o  126.360   35.731   0.2731   0.3476   0.3979   0.4196   0.0000   0.6206  130.464   47.821  122.256   53.104 8.208328 71.46241 
1 1 1   18   28   42 o  253.953   44.283   2.2382   0.6067   2.7491   0.7101   0.8575   1.1673  316.758   43.603  191.149   77.089 125.6084 88.56611 
1 1 1   18   28   44 o  127.554   37.609   0.2592   0.3362   0.3082   0.3666   0.0000   0.8429  117.699   44.400  137.409   60.716 -19.71007 75.21813 
1 1 1   18   29    1 o  632.271   32.471   10.402   1.0551   10.812   1.5082   10.008   1.4766  644.550   45.513  619.991   46.325 24.55939 64.94208 
1 1 1   18   29    3 o  211.816   33.973   1.2616   0.3809   1.7595   0.5106   0.6366   0.5721  260.473   38.128  163.159   56.240 97.31367 67.94626 
1 1 1   18   29    5 o  334.832   41.667   2.2356   0.6034   1.6338   0.6718   4.7463   1.3723  245.163   54.690  424.502   62.877 -179.3385 83.33390 
1 1 1   18   29    7 o  452.776   29.452   5.3089   0.6843   5.6894   1.0054   4.9805   0.9340  467.815   41.802  437.737   41.500 30.07797 58.90319 
1 1 1   18   29    9 o  838.410   34.179   18.440   1.4636   17.483   2.1629   19.249   1.9877  817.359   51.471  859.461   44.985 -42.10126 68.35826 
1 1 1   18   29   11 o  718.924   34.327   13.684   1.2512   11.502   1.8113   15.676   1.7304  662.199   53.202  775.649   43.392 -113.4498 68.65378 
1 1 1   18   29   13 o  1126.51   45.727   33.580   2.3338   33.474   2.7229   33.876   4.5301  1131.56   46.804  1121.46   78.570 10.09778 91.45448 
1 1 1   18   29   15 o  566.311   38.981   8.0301   1.0928   10.062   1.8794   6.9924   1.3431  616.599   59.287  516.022   50.627 100.5770 77.96166 
1 1 1   18   29   17 o  129.438   36.536   0.2277   0.3701   0.0000   0.5934   0.3728   0.4735  123.304   52.720  135.572   50.597 -12.26770 73.07204 
1 1 1   18   29   19 o  509.782   43.693   6.9323   1.1440   7.0897   1.6618   6.7905   1.5774  514.974   62.764  504.590   60.803 10.38449 87.38660 
1 1 1   18   29   21 f  668.850   31.813   11.694   1.0908   10.775   1.4781   12.792   1.6163  640.198   44.908  697.502   45.073 -57.30396 63.62608 
1 1 1   18   29   23 f  558.825   32.632   8.2458   0.9342   8.2896   1.2714   8.1945   1.3774  561.076   44.075  556.574   48.134 4.501282 65.26497 
1 1 1   18   29   25 o  817.330   43.510   17.575   1.5740   17.091   1.8056   19.108   3.2123  804.752   43.640  829.908   75.286 -25.15546 87.01993 
1 1 1   18   29   27 o  738.886   39.680   14.939   1.4408   13.878   2.3629   15.568   1.8179  712.129   64.539  765.643   46.181 -53.51404 79.35978 
1 1 1   18   29   29 o  127.798   32.937   0.3644   0.2807   0.3852   0.3830   0.3403   0.4127  128.639   45.883  126.957   47.266 1.681320 65.87377 
1 1 1   18   29   31 o  272.193   36.898   2.0455   0.5010   1.4334   0.6922   2.7187   0.7260  224.891   59.099  319.493   44.195 -94.60202 73.79642 
1 1 1   18   29   33 o  256.762   36.552   1.8163   0.4733   1.2910   0.6495   2.4110   0.6911  213.301   57.789  300.223   44.772 -86.92242 73.10329 
1 1 1   18   29   35 o  462.969   46.855   6.0643   1.1128   5.9079   1.6117   6.2069   1.5384  455.621   68.805  470.318   63.621 -14.69778 93.71094 
1 1 1   18   29   37 o  440.578   54.789   5.9163   1.1743   6.4021   1.5350   5.2308   1.8235  475.485   62.793  405.672   89.801 69.81360 109.5777 
1 1 1   18   29   39 o  206.090   48.987   1.2546   0.6210   1.4657   0.7714   0.8661   1.0465  222.115   64.036  190.065   74.151 32.04996 97.97489 
1 1 1   18   29   41 f  443.722   43.839   5.2353   0.9105   4.5918   1.0620   7.0206   1.7688  405.048   50.997  482.397   71.320 -77.34854 87.67706 
1 1 1   18   29   43 o  229.270   43.150   1.7912   0.5945   2.3458   0.7065   0.4454   1.1005  289.345   47.494  169.195   72.056 120.1497 86.30023 
1 1 1   18   30    0 o  1853.95   48.069   91.279   4.3780   94.689   5.5269   85.535   7.1729  1906.68   56.494  1801.22   77.787 -0.000000 0.000000 
1 1 1   18   30    2 o  251.103   37.564   1.7317   0.4783   1.2244   0.6987   2.1793   0.6562  212.925   60.805  289.281   44.123 -76.35622 75.12727 
1 1 1   18   30    4 o  527.273   49.445   8.0450   1.1055   6.2962   2.0889   8.7254   1.3030  475.716   88.670  578.830   43.785 -103.1136 98.89079 
1 1 1   18   30    6 o  621.363   41.227   9.2961   1.2010   12.351   2.3372   8.2000   1.4000  682.574   66.599  560.152   48.614 122.4219 82.45464 
1 1 1   18   30    8 o  541.821   34.646   8.0289   0.9057   6.5139   1.4823   8.9314   1.1440  497.292   57.976  586.350   37.950 -89.05838 69.29243 
1 1 1   18   30   10 o  842.571   31.393   18.483   1.3559   17.964   1.8381   19.102   2.0083  830.002   43.075  855.140   45.679 -25.13770 62.78512 
1 1 1   18   30   12 o  987.076   46.488   26.689   1.8870   27.247   2.1260   24.620   4.0956  1022.65   40.437  951.503   83.722 71.14606 92.97546 
1 1 1   18   30   14 o  159.163   51.096   0.6525   0.4740   0.0000   0.0000   0.6525   0.4740  ?   ?   159.163   51.096      ?      ? 
1 1 1   18   30   16 f  500.392   44.290   6.6867   1.1325   6.6230   1.6912   6.7384   1.5249  497.172   66.163  503.611   58.896 -6.438873 88.57903 
1 1 1   18   30   18 o  840.979   37.885   19.100   1.5612   20.098   1.9668   17.401   2.5667  875.397   43.701  806.561   61.897 68.83594 75.76915 
1 1 1   18   30   20 o  954.065   32.226   24.004   1.5764   24.582   2.1685   23.355   2.2958  967.232   43.607  940.897   47.459 26.33551 64.45108 
1 1 1   18   30   22 o  294.853   36.936   2.4129   0.5343   2.9297   0.7337   1.8295   0.7796  333.678   42.768  256.027   60.232 77.65091 73.87160 
1 1 1   18   30   24 o  289.240   36.744   2.3090   0.5256   2.7470   0.7282   1.8326   0.7594  322.484   43.920  255.996   58.920 66.48849 73.48861 
1 1 1   18   30   26 o  294.137   43.261   2.4247   0.6193   2.2894   1.0326   2.5007   0.7740  282.147   71.186  306.125   49.178 -23.97806 86.52178 
1 1 1   18   30   28 o  271.195   36.603   2.0054   0.4965   1.5207   0.6800   2.5589   0.7266  232.370   57.281  310.021   45.585 -77.65166 73.20535 
1 1 1   18   30   30 o  491.815   33.447   6.3924   0.8386   5.3769   1.1225   7.6747   1.2615  447.562   48.784  536.068   45.771 -88.50583 66.89429 
1 1 1   18   30   32 o  461.296   33.642   5.7719   0.7898   6.3193   1.0825   5.1487   1.1549  486.649   43.264  435.943   51.530 50.70593 67.28437 
1 1 1   18   30   34 o  233.769   48.440   1.5718   0.6195   1.8695   0.9302   1.3345   0.8306  251.829   69.548  215.708   67.445 36.12025 96.88000 
1 1 1   18   30   36 o  785.518   56.494   19.240   2.1171   22.081   2.7187   14.861   3.3745  887.255   59.600  683.781   95.989 203.4743 112.9871 
1 1 1   18   30   38 o  287.187   47.036   3.0091   0.7015   3.7007   0.8086   0.9057   1.4101  369.736   42.538  204.638   83.906 165.0980 94.07284 
1 1 1   18   30   40 o  510.369   60.362   9.5485   1.2043   10.765   1.3929   5.9458   2.3968  627.690   43.162  393.048  112.744 234.6411 120.7236 
1 1 1   18   30   42 o  228.107   42.148   1.7843   0.5644   2.2981   0.6646   0.4559   1.0686  287.806   44.915  168.407   71.334 119.3994 84.29617 
1 1 1   18   30   44 o  224.380   70.588   1.6476   0.9082   1.6476   0.9082   0.0000   0.0000  224.380   70.588  ?   ?       ?      ? 
1 1 1   18   31    1 o  602.372   58.349   10.043   1.7189   12.276   2.4153   7.7523   2.4467  679.070   69.180  525.674   93.981 153.3963 116.6973 
1 1 1   18   31    3 o  1117.43   54.012   33.454   3.0832   28.695   4.2647   38.666   4.4627  1031.75   80.398  1203.10   72.148 -171.3495 108.0236 
1 1 1   18   31    5 o  576.035   51.562   9.8811   1.2356   7.1557   2.3321   10.945   1.4569  504.323   93.384  647.747   43.747 -143.4237 103.1232 
1 1 1   18   31    7 o  1090.93   32.240   31.270   1.7420   30.450   2.8557   31.755   2.1984  1076.99   51.573  1104.86   38.701 -27.87024 64.47913 
1 1 1   18   31    9 o  971.594   31.744   23.987   1.5441   27.667   2.5517   21.861   1.9396  1027.47   48.305  915.714   41.198 111.7609 63.48736 
1 1 1   18   31   11 o  288.575   59.345   2.3339   0.9321   2.4147   1.2607   2.2365   1.3843  293.302   80.955  283.849   86.797 9.453094 118.6902 
1 1 1   18   31   13 o  141.892   51.473   0.4436   0.4843   0.0000   0.0000   0.4436   0.4843  ?   ?   141.892   51.473      ?      ? 
1 1 1   18   31   15 f  238.478   46.757   1.5732   0.5888   1.5607   0.9086   1.5822   0.7730  237.941   69.755  239.014   62.281 -1.072922 93.51302 
1 1 1   18   31   17 o  656.887   39.641   11.196   1.2859   12.500   2.1880   10.508   1.5894  682.768   62.331  631.007   48.993 51.76111 79.28136 
1 1 1   18   31   19 o  433.633   41.517   4.8652   0.8858   5.6306   1.5295   4.4789   1.0866  456.396   65.182  410.870   51.438 45.52692 83.03339 
1 1 1   18   31   21 o  773.436   32.684   15.724   1.2887   13.104   1.7575   18.771   1.8953  703.006   48.626  843.866   43.685 -140.8594 65.36760 
1 1 1   18   31   23 f  541.353   33.071   7.7099   0.9147   6.6209   1.2382   9.0187   1.3573  499.067   48.255  583.640   45.234 -84.57257 66.14140 
1 1 1   18   31   25 o  192.137   48.391   0.8334   0.6615   1.4505   0.8727   0.0000   1.0142  227.141   68.800  157.133   68.068 70.00874 96.78159 
1 1 1   18   31   27 o  337.379   34.556   3.0217   0.5968   2.7592   0.8005   3.3503   0.8954  321.124   48.485  353.633   49.251 -32.50925 69.11240 
1 1 1   18   31   29 o  261.474   37.091   1.9089   0.4842   2.0968   0.6476   1.6706   0.7292  280.352   44.931  242.598   59.027 37.75401 74.18178 
1 1 1   18   31   31 o  313.639   37.637   2.7844   0.5749   3.1828   0.7669   2.2733   0.8686  345.350   43.195  281.928   61.646 63.42224 75.27315 
1 1 1   18   31   33 o  187.722   45.234   0.9569   0.5211   0.7987   0.8404   1.0557   0.6642  181.582   67.476  193.863   60.263 -12.28044 90.46852 
1 1 1   18   31   35 o  337.734   52.424   3.9098   0.8064   4.4223   0.9275   2.3231   1.6319  404.570   44.592  270.897   94.893 133.6731 104.8479 
1 1 1   18   31   37 o  178.256   37.340   0.9111   0.3724   1.0732   0.5014   0.7116   0.5563  193.778   49.995  162.734   55.476 31.04465 74.68045 
1 1 1   18   31   39 o  293.431   39.228   2.4760   0.5728   1.7510   0.7850   3.3016   0.8377  241.123   62.725  345.739   47.126 -104.6157 78.45550 
1 1 1   18   31   41 o  150.786   40.331   0.5694   0.4197   0.7326   0.4761   0.0000   0.8895  160.508   51.176  141.063   62.349 19.44455 80.66197 
1 1 1   18   31   43 o  197.855   41.783   1.3641   0.5084   1.7078   0.5689   0.0000   1.1333  242.486   47.330  153.224   68.871 89.26198 83.56648 
1 1 1   18   32    0 o  844.816   50.344   19.264   2.0639   19.723   2.6081   18.497   3.3760  863.753   59.374  825.878   81.319 -0.000000 0.000000 
1 1 1   18   32    2 o  116.610   35.984   0.0000   0.3044   0.0000   0.3310   0.0000   0.7744   92.688   39.496  140.532   60.161 -47.84430 71.96732 
1 1 1   18   32    4 o  407.567   51.805   4.3670   1.0855   4.3670   1.0855   0.0000   0.0000  407.567   51.805  ?   ?       ?      ? 
1 1 1   18   32    6 f  257.738   60.318   1.8289   0.7851   1.8289   0.7851   0.0000   0.0000  257.738   60.318  ?   ?       ?      ? 
1 1 1   18   32    8 o  849.183   46.925   18.940   1.9246   18.309   2.3349   20.278   3.3991  832.788   54.533  865.579   76.380 -32.79138 93.84987 
1 1 1   18   32   10 o  231.194   59.847   1.4732   0.7169   1.4732   0.7169   0.0000   0.0000  231.194   59.847  ?   ?       ?      ? 
1 1 1   18   32   12 o  321.855   58.825   2.8333   0.9375   2.8333   0.9375   0.0000   0.0000  321.855   58.825  ?   ?       ?      ? 
1 1 1   18   32   14 o  516.120   58.893   6.8455   1.4223   2.9725   1.7842   13.599   2.3559  320.715   98.619  711.525   64.403 -390.8105 117.7855 
1 1 1   18   32   16 o  949.222   42.261   24.995   1.9142   21.500   3.2509   26.849   2.3682  888.641   71.156  1009.80   45.615 -121.1608 84.52202 
1 1 1   18   32   18 o  311.069   45.482   2.4780   0.6628   3.4127   1.2104   2.0777   0.7921  348.366   70.011  273.772   58.078 74.59424 90.96471 
1 1 1   18   32   20 o  565.891   40.773   8.3992   1.1373   9.3600   1.9417   7.8975   1.4032  586.868   64.353  544.914   50.085 41.95380 81.54688 
1 1 1   18   32   22 o  167.072   38.986   0.7253   0.4105   0.2982   0.6574   0.9981   0.5255  144.054   57.939  190.091   52.180 -46.03726 77.97263 
1 1 1   18   32   24 o  651.950   55.462   12.549   1.7368   14.182   2.2158   9.9479   2.7970  722.020   59.691  581.881   93.494 140.1387 110.9244 
1 1 1   18   32   26 o  318.811   45.047   2.7107   0.6882   3.5748   1.1786   2.2638   0.8477  354.421   67.138  283.202   60.079 71.21890 90.09449 
1 1 1   18   32   28 o  183.521   43.854   0.8216   0.4833   1.2106   0.7941   0.5927   0.6091  208.370   66.057  158.671   57.698 49.69839 87.70736 
1 1 1   18   32   30 o  381.997   45.258   4.2807   0.8246   3.3937   1.2924   4.8896   1.0709  338.246   76.154  425.749   48.926 -87.50348 90.51659 
1 1 1   18   32   32 o  150.842   55.867   0.5224   0.5751   0.0000   0.0000   0.5224   0.5751  ?   ?   150.842   55.867      ?      ? 
1 1 1   18   32   34 o  425.624   42.105   5.1403   0.8858   4.8235   1.4320   5.3366   1.1274  409.432   68.030  441.816   49.633 -32.38394 84.21091 
1 1 1   18   32   36 o  312.784   43.500   2.7120   0.6774   3.6151   1.0886   2.1411   0.8654  357.089   59.294  268.478   63.665 88.61066 87.00011 
1 1 1   18   32   38 o  335.835   47.325   3.4663   0.7663   3.0396   1.2648   3.7138   0.9633  307.341   79.460  364.328   51.427 -56.98743 94.65021 
1 1 1   18   32   40 o  466.136   42.396   6.1329   0.9818   7.2909   1.6585   5.5082   1.2182  493.408   65.380  438.864   53.991 54.54422 84.79137 
1 1 1   18   32   42 o  287.902   56.293   2.8987   0.8722   3.2178   1.1512   2.4688   1.3362  313.905   72.755  261.899   85.921 52.00629 112.5863 
1 1 1   18   33    1 o  428.747   44.060   4.9114   0.9671   4.6431   1.4069   5.1519   1.3317  416.787   65.655  440.708   58.776 -23.92105 88.12028 
1 1 1   18   33    3 o  382.003   45.971   3.8627   0.8602   5.4718   1.3204   2.6763   1.1338  454.648   56.489  309.357   72.542 145.2910 91.94217 
1 1 1   18   33    5 o  349.293   42.538   3.2567   0.7341   2.4268   0.9866   4.2860   1.0987  295.630   66.520  402.955   53.036 -107.3244 85.07539 
1 1 1   18   33    7 o  778.465   35.575   15.957   1.4114   16.044   2.1434   15.890   1.8752  779.094   53.512  777.836   46.892 1.257507 71.15054 
1 1 1   18   33    9 o  219.896   43.861   1.4832   0.5163   1.7728   0.5839   0.4444   1.1057  256.171   46.022  183.622   74.680 72.54837 87.72221 
1 1 1   18   33   11 o  742.674   47.382   14.286   1.6748   13.382   1.9937   16.453   3.0868  710.127   54.608  775.221   77.449 -65.09399 94.76487 
1 1 1   18   33   13 o  534.777   55.264   8.6950   1.1225   9.2284   1.2650   6.7197   2.4341  593.315   41.470  476.240  102.453 117.0746 110.5278 
1 1 1   18   33   15 o  435.911   54.947   5.5595   1.0240   5.8093   1.1886   4.8400   2.0172  468.399   49.356  403.423   98.187 64.97595 109.8936 
1 1 1   18   33   17 o  432.917   55.456   5.7537   1.0057   6.2185   1.1636   4.3809   1.9998  484.873   46.678  380.961  100.611 103.9122 110.9112 
1 1 1   18   33   19 o  885.077   49.799   22.616   1.8994   23.723   2.2017   19.397   3.7561  946.831   45.229  823.324   88.736 123.5073 99.59774 
1 1 1   18   33   21 o  387.951   55.257   5.2561   0.9485   6.2482   1.1027   2.4357   1.8593  485.712   44.159  290.190  101.308 195.5222 110.5144 
1 1 1   18   33   23 o  655.016   49.857   12.544   1.3990   13.177   1.6199   10.688   2.7755  704.251   44.739  605.782   89.115 98.46875 99.71466 
1 1 1   18   33   25 o  321.832   52.215   3.1846   0.7752   3.4306   0.8957   2.4504   1.5475  357.781   48.692  285.884   92.384 71.89731 104.4304 
1 1 1   18   33   27 o  433.785   57.024   6.1067   0.9858   6.5732   1.1160   4.4501   2.1029  496.639   43.706  370.932  105.341 125.7069 114.0484 
1 1 1   18   33   29 o  205.079   51.324   1.0540   0.6699   0.7749   0.8624   1.4787   1.0636  181.874   68.201  228.283   76.717 -46.40894 102.6490 
1 1 1   18   33   31 o  328.297   74.013   3.2162   1.2194   3.2162   1.2194   0.0000   0.0000  328.297   74.013  ?   ?       ?      ? 
1 1 1   18   33   33 o  282.242   50.053   2.1106   0.6265   1.8685   0.7064   3.0023   1.3556  255.408   55.393  309.075   83.384 -53.66705 100.1062 
1 1 1   18   33   35 o  291.060   55.676   2.8854   0.9145   3.6305   1.1361   1.5145   1.5411  350.527   65.451  231.594   90.086 118.9328 111.3523 
1 1 1   18   33   37 o  407.508   52.987   5.1480   0.9018   5.1915   1.0305   5.0055   1.8637  434.179   46.166  380.837   95.390 53.34195 105.9739 
1 1 1   18   33   39 o  172.151   45.241   0.7061   0.4484   0.6337   0.4991   1.0091   1.0211  152.558   52.531  191.744   73.672 -39.18648 90.48241 
1 1 1   18   33   41 o  161.468   41.215   0.7455   0.4489   0.9578   0.5088   0.0000   0.9536  179.562   52.075  143.373   63.897 36.18919 82.42919 
1 1 1   18   34    0 o  141.480   52.849   0.7414   0.4929   0.8641   0.8453   0.6782   0.6067  150.199   80.243  132.760   68.797 0.000000 0.000000 
1 1 1   18   34    2 f  387.492   35.655   3.9565   0.7039   4.6943   1.0208   3.2876   0.9719  422.551   46.988  352.433   53.639 70.11789 71.30914 
1 1 1   18   34    4 o  477.031   34.655   5.9342   0.8447   6.9228   1.2639   5.1362   1.1356  512.815   47.939  441.248   50.056 71.56696 69.30953 
1 1 1   18   34    6 o  636.469   33.146   10.884   1.0566   13.264   1.4681   8.3252   1.5220  712.189   40.094  560.749   52.792 151.4405 66.29126 
1 1 1   18   34    8 o  912.786   38.764   22.286   1.8045   23.861   2.4639   20.465   2.6501  950.072   50.443  875.499   58.875 74.57294 77.52896 
1 1 1   18   34   10 o  686.091   32.567   11.996   1.1203   14.232   1.8488   10.698   1.4082  733.882   49.000  638.301   42.913 95.58160 65.13445 
1 1 1   18   34   12 o  288.908   35.544   2.2649   0.5105   2.4188   0.6904   2.0792   0.7583  303.109   44.301  274.708   55.597 28.40103 71.08854 
1 1 1   18   34   14 o  465.475   33.391   5.7988   0.7882   6.3157   1.0652   5.1732   1.1719  489.979   42.284  440.971   51.691 49.00827 66.78284 
1 1 1   18   34   16 o  517.472   35.103   7.1482   0.9299   6.6131   1.3404   7.6446   1.2911  497.754   52.380  537.191   46.746 -39.43695 70.20580 
1 1 1   18   34   18 o  1026.40   33.393   27.989   1.7619   28.289   2.4801   27.685   2.5034  1032.28   46.730  1020.51   47.714 11.76514 66.78568 
1 1 1   18   34   20 o  250.630   37.173   1.7165   0.4733   1.3365   0.6553   2.1310   0.6844  218.327   57.562  282.933   47.052 -64.60597 74.34547 
1 1 1   18   34   22 o  411.212   44.338   3.9087   0.8419   3.0809   0.9651   6.5441   1.7219  337.340   55.645  485.085   69.044 -147.7450 88.67618 
1 1 1   18   34   24 o  407.893   54.224   4.5650   1.0922   3.7050   1.3760   6.0295   1.7957  355.083   77.546  460.704   75.812 -105.6211 108.4475 
1 1 1   18   34   26 o  186.328   47.243   0.8893   0.5321   0.9963   0.6020   0.5070   1.1377  189.355   57.094  183.301   75.286 6.053757 94.48597 
1 1 1   18   34   28 o  481.088   60.064   6.9856   1.3888   7.1847   1.7572   6.6543   2.2666  504.624   67.730  457.552   99.213 47.07275 120.1275 
1 1 1   18   34   30 o  366.649   49.680   3.6563   0.9365   3.6563   0.9365   0.0000   0.0000  366.649   49.680  ?   ?       ?      ? 
1 1 1   18   34   32 o  255.682   50.672   2.0553   0.6444   2.1976   0.7286   1.5440   1.3812  278.600   52.798  232.763   86.503 45.83705 101.3433 
1 1 1   18   34   34 o  339.050   59.553   3.9252   1.0779   4.6477   1.3387   2.5938   1.8174  400.872   64.956  277.227   99.835 123.6449 119.1066 
1 1 1   18   34   36 f  615.031   47.262   10.520   1.2810   9.8975   1.4627   12.567   2.6538  598.169   47.562  631.893   81.686 -33.72351 94.52386 
1 1 1   18   34   38 o  405.590   59.963   5.3767   1.1710   5.2039   1.4390   5.7155   2.0151  415.019   67.439  396.161   99.167 18.85864 119.9250 
1 1 1   18   34   40 o  667.976   35.310   12.876   1.1949   14.603   1.6520   10.981   1.7302  722.395   44.481  613.557   54.851 108.8376 70.62000 
1 1 1   18   35    1 o  313.760   38.877   2.7042   0.6026   2.2099   0.8774   3.1455   0.8290  281.973   62.193  345.546   46.664 -63.57300 77.75301 
1 1 1   18   35    3 o  156.425   35.595   0.5676   0.3320   0.9375   0.5237   0.3189   0.4294  185.504   52.530  127.346   48.049 58.15835 71.19062 
1 1 1   18   35    5 o  416.599   41.344   3.8232   0.7759   3.0662   0.8766   6.5600   1.6668  340.395   50.090  492.804   65.789 -152.4091 82.68721 
1 1 1   18   35    7 o  310.813   53.977   2.7089   0.8052   2.6583   0.9619   2.8272   1.4717  309.355   62.629  312.272   87.930 -2.917145 107.9538 
1 1 1   18   35    9 o  253.766   36.137   1.8039   0.4579   1.2782   0.6760   2.2494   0.6223  214.848   59.271  292.683   41.358 -77.83490 72.27419 
1 1 1   18   35   11 o  446.305   32.289   5.4207   0.7133   3.8981   1.0322   6.8124   0.9868  382.545   52.481  510.065   37.631 -127.5192 64.57812 
1 1 1   18   35   13 o  221.529   37.452   1.2183   0.4712   2.2776   0.7229   0.4358   0.6213  293.015   47.989  150.043   57.512 142.9714 74.90372 
1 1 1   18   35   15 o  171.088   38.205   0.7461   0.3810   1.0321   0.5751   0.5224   0.5086  193.449   55.142  148.727   52.894 44.72221 76.40935 
1 1 1   18   35   17 o  899.805   34.470   21.672   1.5866   19.509   2.2645   23.758   2.2236  853.578   51.600  946.033   45.718 -92.45514 68.94020 
1 1 1   18   35   19 o  286.010   38.170   2.2895   0.5406   1.5350   0.7623   3.0528   0.7667  232.817   62.411  339.204   43.962 -106.3862 76.33950 
1 1 1   18   35   21 o  206.706   46.496   1.1684   0.5057   1.2076   0.5744   1.0336   1.0658  207.701   53.473  205.711   76.079 1.989609 92.99107 
1 1 1   18   35   23 o  164.356   39.361   0.6436   0.3889   0.9480   0.6404   0.4658   0.4894  186.409   59.344  142.303   51.724 44.10596 78.72201 
1 1 1   18   35   25 o  672.857   34.159   12.232   1.1749   12.808   1.6056   11.567   1.7239  691.911   45.134  653.803   51.286 38.10840 68.31822 
1 1 1   18   35   27 o  208.956   45.973   1.2604   0.5872   0.5504   0.9392   1.7161   0.7524  173.536   69.443  244.377   60.263 -70.84138 91.94519 
1 1 1   18   35   29 o  389.450   41.510   3.9719   0.7863   3.0794   0.9750   5.6321   1.3298  328.284   59.979  450.616   57.400 -122.3320 83.01985 
1 1 1   18   35   31 o  217.148   40.248   1.3566   0.4562   1.1787   0.6284   1.5548   0.6632  202.213   57.643  232.082   56.186 -29.86885 80.49564 
1 1 1   18   35   33 o  134.432   40.209   0.0973   0.3801   0.0000   0.4204   0.5333   0.8901  102.033   44.013  166.831   67.304 -64.79762 80.41743 
1 1 1   18   35   35 o  201.007   39.113   1.1817   0.4180   1.0592   0.5811   1.3130   0.6016  190.454   55.771  211.559   54.855 -21.10466 78.22697 
1 1 1   18   35   37 o  256.736   44.020   1.7202   0.6032   3.4864   1.0295   0.7973   0.7443  341.400   60.889  172.072   63.588 169.3280 88.03903 
1 1 1   18   35   39 o  233.061   43.735   1.7142   0.5219   1.7882   0.6458   1.5750   0.8861  245.270   52.776  220.851   69.755 24.41905 87.46999 
1 1 1   18   36    0 o  1061.19   53.355   31.654   2.7141   25.406   4.3049   35.776   3.4966  959.499   89.028  1162.87   58.829 0.000000 0.000000 
1 1 1   18   36    2 o  171.904   45.793   0.5240   0.4598   0.4227   0.5133   0.9349   1.0338  141.741   52.724  202.066   74.889 -60.32504 91.58687 
1 1 1   18   36    4 o  344.388   52.050   3.0050   0.8115   2.5623   0.9411   4.2892   1.6027  303.269   62.439  385.507   83.296 -82.23792 104.1005 
1 1 1   18   36    6 o  635.944   35.543   10.709   1.1559   11.042   1.7364   10.444   1.5490  643.889   52.454  627.999   47.975 15.89032 71.08517 
1 1 1   18   36    8 o  636.913   30.321   10.691   0.9899   10.638   1.4551   10.738   1.3505  634.797   44.585  639.029   41.105 -4.232849 60.64234 
1 1 1   18   36   10 o  464.477   31.084   5.7043   0.7404   5.5769   1.0790   5.8177   1.0177  459.065   45.718  469.888   42.126 -10.82245 62.16755 
1 1 1   18   36   12 o  182.335   37.642   0.8802   0.3698   1.0880   0.5880   0.7444   0.4756  198.274   55.495  166.397   50.874 31.87706 75.28490 
1 1 1   18   36   14 o  499.571   36.271   6.6460   0.9281   7.0300   1.3861   6.3340   1.2497  512.066   52.650  487.076   49.903 24.98969 72.54226 
1 1 1   18   36   16 o  233.980   40.373   1.5685   0.4957   1.0202   0.7219   2.0577   0.6819  194.482   63.123  273.477   50.353 -78.99426 80.74570 
1 1 1   18   36   18 o  356.535   42.056   3.7064   0.7123   2.3566   1.0482   4.8646   0.9710  285.174   71.599  427.896   44.139 -142.7218 84.11129 
1 1 1   18   36   20 o  445.577   35.129   5.3324   0.8047   5.3090   1.1424   5.3554   1.1337  444.488   49.990  446.666   49.368 -2.178192 70.25840 
1 1 1   18   36   22 o  125.932   33.819   0.3212   0.3036   0.0000   0.5547   0.4585   0.3627  117.746   50.674  134.118   44.800 -16.37260 67.63797 
1 1 1   18   36   24 o  753.259   34.617   15.224   1.3140   11.540   1.7876   19.556   1.9381  651.214   53.391  855.304   44.075 -204.0903 69.23339 
1 1 1   18   36   26 o  507.434   47.854   7.2707   1.2407   7.5169   1.8710   7.0774   1.6576  512.729   70.975  502.138   64.208 10.59119 95.70861 
1 1 1   18   36   28 o  480.854   35.513   6.2994   0.8771   5.9720   1.2106   6.6612   1.2724  467.658   50.350  494.051   50.095 -26.39334 71.02522 
1 1 1   18   36   30 o  423.818   37.837   5.0514   0.8091   5.7535   1.1065   4.2448   1.1860  459.547   46.832  388.089   59.441 71.45807 75.67338 
1 1 1   18   36   32 o  126.943   33.919   0.2429   0.3099   0.6427   0.5041   0.0000   0.3929  155.106   52.811   98.781   42.578 56.32529 67.83773 
1 1 1   18   36   34 o  419.232   41.656   4.8991   0.8773   5.8279   1.4378   4.3482   1.1073  447.039   62.556  391.425   55.023 55.61374 83.31130 
1 1 1   18   36   36 o  221.258   40.575   1.4753   0.4709   1.2007   0.6694   1.7443   0.6626  199.604   60.212  242.912   54.404 -43.30838 81.15003 
1 1 1   18   36   38 o  313.316   40.986   3.0070   0.6300   3.4343   0.8419   2.4633   0.9496  348.569   46.980  278.062   67.174 70.50696 81.97219 
1 1 1   18   37    1 o  435.532   63.423   5.5435   1.3978   6.8964   1.9921   4.2313   1.9619  497.428   77.897  373.635  100.109 123.7932 126.8453 
1 1 1   18   37    3 o  829.058   57.496   19.236   2.4462   17.861   3.3519   20.803   3.5780  797.051   81.796  861.065   80.824 -64.01428 114.9913 
1 1 1   18   37    5 o  439.980   53.612   5.9706   1.0055   4.3789   1.8993   6.5905   1.1852  381.155   96.752  498.806   46.216 -117.6510 107.2236 
1 1 1   18   37    7 o  296.383   41.136   2.4852   0.6016   1.9994   0.9211   2.8466   0.7944  265.275   67.399  327.491   47.182 -62.21536 82.27287 
1 1 1   18   37    9 o  384.773   35.147   3.8552   0.6749   4.3311   1.1200   3.5838   0.8458  401.664   54.236  367.881   44.718 33.78342 70.29358 
1 1 1   18   37   11 o  160.130   34.607   0.6973   0.3460   0.1346   0.5689   1.0275   0.4358  127.022   52.803  193.239   44.750 -66.21610 69.21490 
1 1 1   18   37   13 o  458.942   33.013   5.5676   0.7760   4.9883   1.0512   6.2612   1.1503  432.701   47.255  485.182   46.114 -52.48083 66.02662 
1 1 1   18   37   15 o  507.344   34.214   7.1072   0.8602   8.3785   1.1532   5.5132   1.2913  563.341   39.818  451.347   55.649 111.9933 68.42756 
1 1 1   18   37   17 o  597.138   36.717   9.5972   1.1148   11.524   1.6172   7.8528   1.5389  656.226   47.935  538.051   55.631 118.1755 73.43420 
1 1 1   18   37   19 o  374.788   40.945   3.8976   0.7437   5.2431   1.0865   2.7113   1.0202  442.280   47.783  307.297   66.504 134.9825 81.89021 
1 1 1   18   37   21 o  303.135   46.851   2.8943   0.7060   1.6870   1.1892   3.5514   0.8773  242.412   81.121  363.858   46.899 -121.4466 93.70218 
1 1 1   18   37   23 o  307.523   43.356   2.3764   0.6589   4.1910   1.1321   1.4468   0.8103  390.857   56.337  224.188   65.917 166.6684 86.71154 
1 1 1   18   37   25 o  190.070   42.823   1.0003   0.4558   1.0146   0.5568   0.9713   0.7938  189.641   54.327  190.500   66.212 -0.8594818 85.64696 
1 1 1   18   37   27 o  422.013   37.242   4.9405   0.7967   5.7664   1.1188   4.0908   1.1348  460.830   47.223  383.196   57.599 77.63391 74.48302 
1 1 1   18   37   29 o  173.408   40.199   0.8329   0.4138   0.7800   0.6089   0.8783   0.5641  170.005   58.041  176.812   55.634 -6.807159 80.39841 
1 1 1   18   37   31 o  227.348   45.751   1.5852   0.5861   1.0181   0.8881   2.0228   0.7802  192.459   69.718  262.236   59.261 -69.77710 91.50110 
1 1 1   18   37   33 o  244.471   45.451   1.7683   0.5651   2.0697   0.9253   1.5891   0.7136  258.509   68.518  230.433   59.737 28.07590 90.90287 
1 1 1   18   37   35 o  312.475   39.476   2.8483   0.6191   2.5693   0.8637   3.1431   0.8879  292.626   59.436  332.324   51.969 -39.69864 78.95149 
1 1 1   18   37   37 o  351.556   38.062   3.6442   0.6649   3.8795   0.9044   3.3675   0.9809  369.878   47.561  333.235   59.436 36.64273 76.12303 
1 1 1   18   38    0 o  725.496   84.621   14.757   3.0442   0.0000   0.0000   14.757   3.0442  725.496   84.621  725.496   84.621 -0.000000 0.000000 
1 1 1   18   38    2 o  314.975   51.755   2.9809   0.7661   2.3338   1.4910   3.2130   0.8930  282.970   90.601  346.981   50.060 -64.01096 103.5106 
1 1 1   18   38    4 o  368.481   53.724   4.6083   0.9031   2.2656   1.7174   5.5036   1.0618  281.408   97.417  455.554   45.334 -174.1467 107.4489 
1 1 1   18   38    6 o  599.800   37.511   9.7562   1.1357   9.0253   1.7379   10.301   1.5005  577.215   58.562  622.386   46.892 -45.17023 75.02239 
1 1 1   18   38    8 o  448.432   43.525   5.9111   0.8997   3.8773   1.3712   7.4488   1.1923  366.655   75.263  530.209   43.739 -163.5537 87.05001 
1 1 1   18   38   10 o  422.000   31.685   4.7257   0.6859   4.7944   1.0072   4.6663   0.9366  424.443   46.157  419.557   43.420 4.885651 63.36995 
1 1 1   18   38   12 o  954.220   30.684   24.352   1.4922   21.898   2.1779   26.524   2.0486  906.140   46.749  1002.30   39.755 -96.16016 61.36745 
1 1 1   18   38   14 o  549.982   33.005   8.1138   0.9274   8.5152   1.2651   7.6475   1.3635  566.116   43.465  533.848   49.679 32.26770 66.00949 
1 1 1   18   38   16 o  459.814   37.630   5.7406   0.8851   5.4326   1.2934   6.0119   1.2139  446.803   56.305  472.824   49.938 -26.02045 75.25993 
1 1 1   18   38   18 o  290.931   40.498   2.3308   0.5912   3.3221   0.8817   1.5208   0.7970  351.479   48.792  230.383   64.651 121.0969 80.99646 
1 1 1   18   38   20 o  329.086   93.529   3.3989   1.6571   0.0000   0.0000   3.3989   1.6571  ?   ?   329.086   93.529      ?      ? 
1 1 1   18   38   22 o  535.123   47.971   7.8260   1.2969   10.001   2.0631   6.4053   1.6675  594.747   67.473  475.498   68.208 119.2495 95.94238 
1 1 1   18   38   24 o  318.484   40.725   2.6848   0.6358   2.1742   0.7910   3.6169   1.0686  275.826   57.634  361.142   57.553 -85.31665 81.44948 
1 1 1   18   38   26 o  631.043   35.409   10.864   1.1464   10.258   1.5614   11.573   1.6886  612.389   49.593  649.696   50.554 -37.30701 70.81816 
1 1 1   18   38   28 o  336.145   50.156   2.8019   0.7672   2.0204   0.8845   5.1766   1.5418  259.778   66.072  412.512   75.479 -152.7341 100.3127 
1 1 1   18   38   30 o  325.167   40.879   3.0945   0.6554   3.5048   0.8890   2.6059   0.9701  356.101   48.556  294.232   65.778 61.86911 81.75897 
1 1 1   18   38   32 o  203.110   51.074   1.0979   0.6659   0.6960   0.8430   1.7648   1.0858  170.876   66.584  235.345   77.466 -64.46985 102.1490 
1 1 1   18   38   34 o  154.306   37.420   0.6568   0.3582   0.6304   0.5137   0.6818   0.4998  152.379   53.249  156.233   52.587 -3.854355 74.83906 
1 1 1   18   38   36 o  178.316   38.660   0.9334   0.4103   0.5379   0.5823   1.3235   0.5783  147.002   55.836  209.630   53.485 -62.62773 77.31962 
1 1 1   18   39    1 o  626.131   36.234   10.578   1.1542   8.9126   1.6353   12.232   1.6294  574.523   55.362  677.740   46.762 -103.2178 72.46849 
1 1 1   18   39    3 o  823.442   35.337   18.115   1.4935   18.750   2.1891   17.562   2.0427  836.293   50.913  810.591   49.017 25.70227 70.67388 
1 1 1   18   39    5 o  462.134   35.889   5.6728   0.8483   6.2905   1.2813   5.1908   1.1320  484.041   51.487  440.228   50.013 43.81302 71.77897 
1 1 1   18   39    7 o  479.853   33.647   6.1502   0.8279   6.1822   1.1330   6.1136   1.2128  481.873   45.731  477.833   49.368 4.040436 67.29472 
1 1 1   18   39    9 o  762.364   30.937   15.486   1.2063   14.903   1.7770   15.984   1.6429  747.590   46.233  777.137   41.120 -29.54724 61.87367 
1 1 1   18   39   11 o  471.620   33.063   6.0997   0.7760   4.5805   1.1288   7.4614   1.0686  411.736   53.323  531.504   39.107 -119.7679 66.12631 
1 1 1   18   39   13 o  590.035   31.605   9.3998   0.9440   7.8082   1.3631   10.867   1.3087  539.188   49.173  640.881   39.717 -101.6924 63.20935 
1 1 1   18   39   15 o  541.846   38.241   8.1412   1.0371   6.3777   1.5106   9.7138   1.4265  481.138   61.067  602.553   46.048 -121.4146 76.48298 
1 1 1   18   39   17 o  282.184   39.390   2.2971   0.5500   2.7832   0.7370   1.6861   0.8263  322.680   44.425  241.688   65.060 80.99216 78.78074 
1 1 1   18   39   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   39   21 o  505.483   46.845   7.1435   1.2103   8.1155   1.8320   6.3906   1.6123  535.434   66.549  475.531   65.949 59.90253 93.69091 
1 1 1   18   39   23 o  153.924   37.437   0.6084   0.3587   0.6896   0.5218   0.5356   0.4939  160.842   53.734  147.006   52.141 13.83563 74.87378 
1 1 1   18   39   25 o  587.469   36.705   9.4935   1.0751   6.7804   1.4656   12.655   1.5820  491.765   57.968  683.173   45.041 -191.4077 73.40933 
1 1 1   18   39   27 o  721.295   35.771   14.264   1.2878   10.211   1.7387   19.190   1.9167  602.758   56.105  839.832   44.391 -237.0738 71.54262 
1 1 1   18   39   29 o  473.086   36.919   6.2490   0.8900   5.2367   1.2257   7.3779   1.2944  430.205   55.416  515.967   48.797 -85.76187 73.83820 
1 1 1   18   39   31 o  329.600   63.345   3.7833   1.0777   3.8695   1.3202   3.6111   1.8659  348.786   75.788  310.414  101.520 38.37271 126.6894 
1 1 1   18   39   33 o  235.442   41.577   1.7130   0.5162   2.1818   0.7139   1.1990   0.7474  272.695   52.826  198.189   64.218 74.50577 83.15368 
1 1 1   18   40    0 o  105.458   45.657   0.2848   0.4515   0.0000   0.8783   0.3871   0.5264  104.951   68.141  105.964   60.787 0.000000 0.000000 
1 1 1   18   40    2 o  338.431   40.364   3.2295   0.6675   2.4435   0.9655   3.9491   0.9238  292.257   65.835  384.606   46.720 -92.34991 80.72753 
1 1 1   18   40    4 o  241.058   50.137   1.7633   0.6532   2.0118   0.7586   1.0505   1.2848  267.655   56.883  214.460   82.578 53.19498 100.2734 
1 1 1   18   40    6 o  471.915   34.038   6.0003   0.8200   6.6029   1.1401   5.3544   1.1803  497.980   44.532  445.849   51.490 52.13077 68.07612 
1 1 1   18   40    8 o  141.461   31.499   0.4542   0.2945   0.8940   0.4132   0.0000   0.4199  179.760   44.855  103.162   44.234 76.59820 62.99749 
1 1 1   18   40   10 o  444.310   31.807   5.2439   0.7190   6.3397   1.0542   4.2907   0.9832  488.582   41.967  400.038   47.806 88.54443 63.61344 
1 1 1   18   40   12 o  245.938   36.639   1.6746   0.4480   1.9427   0.6651   1.4520   0.6061  264.498   50.758  227.377   52.853 37.12085 73.27898 
1 1 1   18   40   14 o  432.211   32.100   4.9891   0.7124   5.3267   1.0364   4.6867   0.9808  446.118   45.187  418.303   45.604 27.81519 64.19989 
1 1 1   18   40   16 o  270.521   54.517   2.3723   0.8176   2.8187   0.9579   1.1739   1.5696  314.449   61.453  226.593   90.067 87.85568 109.0345 
1 1 1   18   40   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   40   20 o  358.720   43.217   3.7383   0.7399   5.9668   1.0877   1.8189   1.0095  470.538   44.962  246.903   73.818 223.6354 86.43362 
1 1 1   18   40   22 o  279.356   41.667   2.2536   0.5797   2.0999   0.8217   2.4059   0.8180  268.692   60.891  290.020   56.894 -21.32822 83.33472 
1 1 1   18   40   24 o  271.636   39.779   2.1117   0.5474   1.6517   0.7690   2.5841   0.7793  236.558   62.349  306.715   49.417 -70.15645 79.55802 
1 1 1   18   40   26 o  228.012   38.855   1.5354   0.4610   1.9767   0.6408   1.0619   0.6637  264.340   48.953  191.684   60.352 72.65620 77.70913 
1 1 1   18   40   28 o  325.134   41.263   3.0652   0.6676   2.4513   0.9230   3.7386   0.9668  284.940   64.507  365.327   51.472 -80.38620 82.52629 
1 1 1   18   40   30 o  445.706   65.353   6.9515   1.4315   7.4571   1.8313   6.1572   2.2954  492.233   72.364  399.179  108.846 93.05429 130.7063 
1 1 1   18   40   32 o  358.723   42.031   3.9332   0.7295   4.7372   0.9943   2.9957   1.0736  410.405   47.121  307.042   69.614 103.3625 84.06286 
1 1 1   18   41    1 o  232.495   42.201   1.5400   0.5073   1.4482   0.7388   1.6220   0.6978  225.564   61.856  239.426   57.424 -13.86176 84.40190 
1 1 1   18   41    3 o  427.756   38.168   5.0061   0.8306   4.4582   1.2147   5.4873   1.1383  403.610   58.538  451.902   48.996 -48.29156 76.33649 
1 1 1   18   41    5 o  890.639   36.570   21.644   1.6546   19.338   2.4397   23.609   2.2516  842.209   56.344  939.069   46.637 -96.85974 73.14092 
1 1 1   18   41    7 o  1128.32   32.909   33.999   1.9051   32.567   2.5947   35.673   2.8062  1103.41   45.738  1153.24   47.329 -49.83032 65.81843 
1 1 1   18   41    9 f  994.478   37.614   27.145   1.8907   24.799   2.8648   28.955   2.5167  950.297   58.635  1038.66   47.130 -88.36237 75.22845 
1 1 1   18   41   11 o  775.478   35.369   15.968   1.3516   17.257   2.2933   15.282   1.6731  794.099   56.172  756.856   42.997 37.24384 70.73895 
1 1 1   18   41   13 o  289.253   41.577   2.2472   0.6039   3.1982   0.9539   1.6113   0.7801  342.190   54.223  236.317   63.043 105.8730 83.15342 
1 1 1   18   41   15 o  322.759   67.327   3.0319   1.0811   3.0319   1.0811   0.0000   0.0000  322.759   67.327  ?   ?       ?      ? 
1 1 1   18   41   17 o  236.720   40.312   1.6190   0.5215   2.2817   0.7189   0.8829   0.7577  290.087   48.204  183.354   64.627 106.7333 80.62439 
1 1 1   18   41   19 o  176.592   42.159   0.8389   0.4491   0.8714   0.7024   0.8164   0.5841  180.288   62.307  172.895   56.811 7.393845 84.31872 
1 1 1   18   41   21 o  394.282   38.591   4.3115   0.7804   4.7259   1.1254   3.9276   1.0831  413.368   52.955  375.196   56.151 38.17279 77.18245 
1 1 1   18   41   23 o  486.232   37.782   6.6823   0.9163   4.9651   1.2979   8.3886   1.2937  417.696   60.436  554.768   45.359 -137.0712 75.56425 
1 1 1   18   41   25 o  264.908   41.216   2.0515   0.5461   1.8343   0.7494   2.2974   0.7975  249.111   59.357  280.705   57.200 -31.59380 82.43281 
1 1 1   18   41   27 o  585.712   36.404   9.6472   1.0949   9.9123   1.5290   9.3682   1.5688  595.445   49.944  575.979   52.976 19.46631 72.80740 
1 1 1   18   41   29 o  463.912   60.063   6.8475   1.1501   6.6479   1.3031   7.5505   2.4460  483.306   52.442  444.518  108.075 38.78815 120.1263 
1 1 1   18   41   31 o  187.355   39.895   1.0505   0.4182   0.9015   0.5829   1.2087   0.6004  174.766   56.722  199.945   56.117 -25.17831 79.79032 
1 1 1   18   42    0 f   89.889   42.201   0.0000   0.3615   0.0000   0.3903   0.0000   0.9584   70.787   45.759  108.992   70.921 -0.000000 0.000000 
1 1 1   18   42    2 o  223.079   41.241   1.3694   0.4861   1.8944   0.7377   0.9665   0.6463  258.655   57.010  187.504   59.608 71.15099 82.48138 
1 1 1   18   42    4 o  135.046   35.280   0.3790   0.3340   0.1680   0.4765   0.5828   0.4683  119.523   48.864  150.569   50.902 -31.04577 70.55986 
1 1 1   18   42    6 o  498.564   48.092   6.7810   1.2125   8.3627   1.9373   5.7625   1.5546  544.051   69.261  453.078   66.740 90.97314 96.18372 
1 1 1   18   42    8 o  249.798   46.867   1.8124   0.6126   1.6772   0.8571   1.9537   0.8760  240.267   66.908  259.329   65.645 -19.06213 93.73383 
1 1 1   18   42   10 o  612.866   42.567   10.413   1.3409   10.240   1.8717   10.595   1.9220  607.880   59.890  617.853   60.506 -9.973022 85.13378 
1 1 1   18   42   12 o  249.448   44.548   1.7709   0.5840   2.4167   0.8658   1.2319   0.7911  290.637   59.936  208.258   65.921 82.37894 89.09521 
1 1 1   18   42   14 o  211.157   45.914   1.3687   0.5361   1.5787   0.6033   0.5798   1.1692  236.603   51.088  185.711   76.304 50.89217 91.82739 
1 1 1   18   42   16 o  407.575   38.692   4.5779   0.8093   4.7840   1.1893   4.4002   1.1043  415.602   55.661  399.548   53.759 16.05396 77.38372 
1 1 1   18   42   18 o  276.674   38.776   2.1756   0.5387   1.5360   0.7489   2.8614   0.7755  228.903   62.072  324.444   46.491 -95.54108 77.55244 
1 1 1   18   42   20 o  387.000   41.158   4.2301   0.7911   5.1213   1.1645   3.4664   1.0780  429.668   52.716  344.332   63.222 85.33679 82.31609 
1 1 1   18   42   22 o  258.891   42.573   1.9720   0.5563   2.1687   0.8053   1.7925   0.7693  271.902   59.279  245.878   61.122 26.02406 85.14608 
1 1 1   18   42   24 o  339.689   48.855   3.6358   0.7998   2.9491   1.3252   4.0293   1.0032  299.853   83.089  379.526   51.413 -79.67242 97.70964 
1 1 1   18   42   26 o  167.514   35.414   0.7588   0.3765   0.1597   0.5467   1.2996   0.5194  122.869   51.475  212.158   48.651 -89.28946 70.82832 
1 1 1   18   42   28 o  173.246   47.233   0.7687   0.5493   0.8073   0.6324   0.6500   1.1085  169.175   59.084  177.316   73.709 -8.141663 94.46664 
1 1 1   18   42   30 o  182.837   42.619   1.0075   0.4656   1.0727   0.6508   0.9391   0.6663  187.811   59.827  177.863   60.714 9.948135 85.23809 
1 1 1   18   43    1 o  418.938   51.153   5.1102   1.0678   4.5921   1.5472   5.5815   1.4756  391.563   79.570  446.312   64.306 -54.74893 102.3067 
1 1 1   18   43    3 o  499.405   48.747   6.9942   1.2440   8.0506   1.8786   6.1690   1.6603  532.840   68.574  465.970   69.302 66.86972 97.49438 
1 1 1   18   43    5 o  202.611   69.931   1.1190   0.8847   1.1190   0.8847   0.0000   0.0000  202.611   69.931  ?   ?       ?      ? 
1 1 1   18   43    7 o  437.034   45.301   5.4794   0.9724   6.4689   1.3567   4.4338   1.3946  485.643   54.337  388.425   72.500 97.21896 90.60195 
1 1 1   18   43    9 o  471.428   35.092   6.0693   0.8454   6.4087   1.1580   5.6820   1.2370  487.303   46.221  455.553   52.815 31.75049 70.18358 
1 1 1   18   43   11 o  501.830   33.981   6.9927   0.8491   5.2326   1.2252   8.6195   1.1779  435.675   54.697  567.985   40.337 -132.3096 67.96211 
1 1 1   18   43   13 o  216.066   43.604   1.4185   0.5331   1.7838   0.6714   0.7949   0.8772  250.317   53.771  181.814   68.659 68.50282 87.20885 
1 1 1   18   43   15 o  418.260   36.576   4.8611   0.7629   4.6041   1.2141   5.0287   0.9806  405.305   58.266  431.215   44.230 -25.90988 73.15218 
1 1 1   18   43   17 o  545.012   33.928   8.0496   0.9452   7.0177   1.2717   9.3236   1.4130  505.721   48.909  584.303   47.035 -78.58200 67.85571 
1 1 1   18   43   19 o  184.715   39.099   0.9749   0.4102   0.7079   0.5875   1.2289   0.5732  163.301   56.950  206.130   53.587 -42.82855 78.19732 
1 1 1   18   43   21 o  180.887   42.347   0.8925   0.4524   1.1472   0.7202   0.7265   0.5814  197.828   62.929  163.947   56.683 33.88095 84.69415 
1 1 1   18   43   23 o  174.691   38.799   0.8466   0.4046   1.2071   0.5833   0.5122   0.5617  202.692   54.705  146.691   55.036 56.00183 77.59881 
1 1 1   18   43   25 o  171.772   39.178   0.8346   0.4061   0.5574   0.5747   1.1110   0.5739  149.808   55.772  193.736   55.038 -43.92802 78.35606 
1 1 1   18   43   27 o  413.562   51.922   4.4022   0.9476   3.4467   1.0667   7.9796   2.0638  334.818   64.302  492.307   81.540 -157.4897 103.8441 
1 1 1   18   44    0 o  104.616   47.294   0.1965   0.4472   0.2332   0.4872   0.0000   1.1266   92.377   55.849  116.855   76.339 -0.000000 0.000000 
1 1 1   18   44    2 o  399.962   38.260   4.4058   0.7853   4.2370   1.1287   4.5641   1.0934  391.567   56.065  408.358   52.077 -16.79141 76.51993 
1 1 1   18   44    4 f  550.241   51.636   8.4054   1.3243   7.8931   1.5581   9.7385   2.5134  533.755   56.777  566.726   86.263 -32.97083 103.2716 
1 1 1   18   44    6 o  290.331   41.757   2.4664   0.6058   1.8550   0.9029   2.9670   0.8169  250.183   68.285  330.479   48.081 -80.29605 83.51431 
1 1 1   18   44    8 o  535.543   34.520   7.7859   0.9485   7.1877   1.2990   8.4692   1.3883  513.339   49.218  557.747   48.415 -44.40698 69.03936 
1 1 1   18   44   10 o  193.634   36.523   0.9973   0.4096   0.3730   0.5561   1.7376   0.6055  138.666   54.067  248.603   49.119 -109.9367 73.04700 
1 1 1   18   44   12 o  269.176   49.468   2.2258   0.6901   2.4406   0.8890   1.9001   1.0949  289.179   61.676  249.173   77.359 40.00562 98.93606 
1 1 1   18   44   14 o  455.936   37.610   5.8624   0.8492   5.3649   1.3573   6.1824   1.0886  434.627   60.742  477.245   44.367 -42.61871 75.21995 
1 1 1   18   44   16 o  381.273   33.121   3.9691   0.6481   4.2363   0.9508   3.7372   0.8858  393.115   47.042  369.430   46.638 23.68500 66.24258 
1 1 1   18   44   18 o  427.859   36.497   5.1558   0.7914   5.5537   1.0662   4.6676   1.1810  449.817   46.101  405.901   56.592 43.91602 72.99310 
1 1 1   18   44   20 o  129.128   37.095   0.1606   0.3538   0.5814   0.6733   0.0000   0.4159  157.145   59.957  101.110   43.695 56.03443 74.18939 
1 1 1   18   44   22 o  148.048   37.661   0.5645   0.3650   0.5676   0.5374   0.5618   0.4974  149.148   54.202  146.949   52.303 2.198166 75.32265 
1 1 1   18   44   24 o  175.844   39.999   0.8440   0.4377   1.3427   0.6386   0.4021   0.6011  211.143   57.343  140.546   55.779 70.59721 79.99712 
1 1 1   18   44   26 o  217.894   52.122   1.6060   0.8083   2.2732   0.9616   0.0000   1.4919  265.293   69.626  170.494   77.582 94.79918 104.2434 
1 1 1   18   45    1 o  221.278   41.416   1.3748   0.5152   0.6749   0.7074   2.1652   0.7518  167.011   61.940  275.544   54.995 -108.5331 82.83099 
1 1 1   18   45    3 o  455.300   38.520   5.7210   0.8983   6.4371   1.3129   5.0906   1.2319  482.934   52.878  427.667   56.026 55.26691 77.03902 
1 1 1   18   45    5 o  166.602   45.643   0.5976   0.4994   0.5978   0.5716   0.5967   1.0263  155.224   55.980  177.980   72.107 -22.75607 91.28596 
1 1 1   18   45    7 o  694.174   38.062   13.384   1.3505   13.194   2.0088   13.540   1.8243  686.686   56.899  701.661   50.570 -14.97522 76.12429 
1 1 1   18   45    9 o  337.787   47.817   2.4951   0.7184   1.7054   0.8052   5.5757   1.5905  239.707   64.098  435.866   70.974 -196.1591 95.63395 
1 1 1   18   45   11 o  141.270   39.184   0.3845   0.4060   0.3479   0.5173   0.4432   0.6553  133.596   52.132  148.944   58.513 -15.34804 78.36739 
1 1 1   18   45   13 o  159.854   35.557   0.6864   0.3641   0.1683   0.5529   1.0832   0.4839  124.927   52.005  194.781   48.504 -69.85414 71.11337 
1 1 1   18   45   15 o  181.337   36.070   0.9023   0.3731   1.4019   0.5483   0.4716   0.5091  221.235   49.448  141.440   52.526 79.79489 72.13935 
1 1 1   18   45   17 o  261.917   37.823   1.9765   0.4919   2.3289   0.7213   1.6700   0.6725  285.382   51.031  238.452   55.839 46.92981 75.64526 
1 1 1   18   45   19 o  174.233   41.395   0.8681   0.4355   0.7467   0.7082   0.9420   0.5524  168.490   62.071  179.976   54.785 -11.48631 82.78978 
1 1 1   18   45   21 o  283.039   42.156   2.3285   0.6063   3.1354   0.9218   1.7133   0.8049  330.781   54.206  235.296   64.578 95.48422 84.31292 
1 1 1   18   45   23 o  597.672   39.235   10.362   1.2035   11.223   1.7393   9.5723   1.6669  622.872   54.312  572.472   56.636 50.39966 78.46924 
1 1 1   18   46    0 o  663.759   65.234   13.415   1.9383   14.211   2.4451   12.068   3.1797  711.633   68.272  615.884  111.180 -0.000000 0.000000 
1 1 1   18   46    2 o  263.165   44.390   2.0368   0.6012   2.6392   0.8765   1.5018   0.8261  301.878   58.588  224.453   66.704 77.42546 88.78008 
1 1 1   18   46    4 o  397.065   39.360   4.4382   0.7990   4.0902   1.1553   4.7572   1.1062  379.957   59.142  414.173   51.952 -34.21609 78.71917 
1 1 1   18   46    6 o  302.735   53.233   3.1044   0.8420   3.6228   1.0010   1.8505   1.5569  360.079   54.072  245.390   91.712 114.6886 106.4659 
1 1 1   18   46    8 o  300.952   55.177   2.5780   0.8089   2.0756   0.9640   3.7737   1.4872  260.335   70.350  341.569   85.023 -81.23367 110.3540 
1 1 1   18   46   10 o  144.283   37.357   0.4829   0.3599   0.6564   0.5570   0.3586   0.4715  157.909   55.432  130.658   50.096 27.25095 74.71452 
1 1 1   18   46   12 o  331.371   37.921   3.2088   0.6073   2.3646   0.8844   3.9622   0.8355  281.325   62.743  381.418   42.605 -100.0928 75.84141 
1 1 1   18   46   14 o  268.914   38.760   2.1125   0.5248   1.6939   0.7580   2.4978   0.7273  237.338   61.589  300.490   47.075 -63.15205 77.51949 
1 1 1   18   46   16 o  164.332   39.258   0.6497   0.3975   1.1573   0.6527   0.3504   0.5011  197.293   59.443  131.371   51.297 65.92186 78.51694 
1 1 1   18   46   18 o  362.727   38.703   3.6770   0.7114   4.3921   1.1287   3.2057   0.9163  390.159   56.267  335.295   53.157 54.86389 77.40612 
1 1 1   18   46   20 o  449.282   37.930   5.9665   0.8400   7.2806   1.1474   4.4486   1.2332  512.370   43.559  386.194   62.108 126.1765 75.86044 
1 1 1   18   46   22 o  272.472   44.042   2.3659   0.6246   1.6682   0.9360   2.9261   0.8388  225.839   71.730  319.105   51.125 -93.26604 88.08438 
1 1 1   18   47    1 o  554.007   39.319   8.7009   1.1089   7.4169   1.5675   9.9874   1.5690  508.910   59.909  599.105   50.939 -90.19458 78.63707 
1 1 1   18   47    3 o  1120.33   53.696   38.013   2.7581   37.941   3.2714   38.189   5.1286  1160.33   54.838  1080.34   92.336 79.99292 107.3926 
1 1 1   18   47    5 o  172.853   47.481   0.6979   0.5542   0.7238   0.6398   0.6201   1.1091  165.672   59.281  180.034   74.185 -14.36212 94.96167 
1 1 1   18   47    7 o  404.412   60.221   5.0818   1.1012   4.8495   1.2813   5.7384   2.1540  409.932   60.796  398.892  103.973 11.03989 120.4427 
1 1 1   18   47    9 o  158.034   38.007   0.6679   0.3723   0.8326   0.5418   0.5204   0.5125  171.141   54.594  144.927   52.893 26.21442 76.01424 
1 1 1   18   47   11 o  255.253   41.100   1.9670   0.5298   2.2895   0.7207   1.5878   0.7815  282.120   51.590  228.385   63.995 53.73586 82.19989 
1 1 1   18   47   13 o  419.998   46.589   5.8333   0.8672   3.4530   1.3895   7.3522   1.1100  321.583   83.354  518.413   41.645 -196.8302 93.17835 
1 1 1   18   47   15 o  147.357   37.495   0.5673   0.3706   0.2878   0.6179   0.7243   0.4632  135.163   55.496  159.553   50.436 -24.39012 74.99063 
1 1 1   18   47   17 o  319.142   38.441   2.9745   0.6144   2.7396   0.8767   3.2013   0.8612  302.286   58.526  335.998   49.856 -33.71237 76.88195 
1 1 1   18   47   19 o  266.228   36.997   2.0654   0.5554   0.4026   0.7494   4.0927   0.8274  148.146   61.004  384.309   41.877 -236.1627 73.99420 
1 1 1   18   48    0 o   92.245   60.190   0.0000   0.6973   0.0000   0.0000   0.0000   0.6973   92.245   60.190   92.245   60.190 -0.000000 0.000000 
1 1 1   18   48    2 o  408.424   70.556   5.8876   1.4833   4.6665   2.0060   7.3607   2.2032  354.603  103.560  462.245   95.852 -107.6429 141.1112 
1 1 1   18   48    4 o  281.872   62.593   2.6230   1.0466   1.7136   1.4036   3.7619   1.5707  232.763   87.063  330.981   89.953 -98.21858 125.1854 
1 1 1   18   48    6 o  342.171   53.283   3.6150   0.8496   3.8522   1.6020   3.5222   1.0022  333.299   90.955  351.044   55.529 -17.74518 106.5662 
1 1 1   18   48    8 o  264.432   51.291   2.3905   0.7180   1.6047   1.3736   2.6859   0.8422  226.321   85.807  302.544   56.215 -76.22365 102.5814 
1 1 1   18   48   10 o  189.077   39.996   1.0800   0.4816   0.2288   0.7712   1.6241   0.6166  142.692   60.529  235.463   52.298 -92.77086 79.99280 
1 1 1   18   48   12 o  192.773   43.975   1.0990   0.4845   1.1974   0.7953   1.0409   0.6110  198.517   66.338  187.029   57.745 11.48817 87.95034 
1 1 1   18   48   14 o  226.689   43.791   1.5739   0.5145   1.6477   0.8366   1.5290   0.6525  228.236   66.945  225.142   56.472 3.094101 87.58223 
1 1 1   18   48   16 o  428.150   35.529   5.2530   0.7777   5.1373   1.1509   5.3503   1.0551  421.222   53.144  435.079   47.169 -13.85651 71.05757 
1 1 1   18   49    1 o  276.209   50.361   2.7257   0.7862   1.2057   1.4609   3.3454   0.9328  209.945   85.664  342.473   52.979 -132.5282 100.7226 
1 1 1   18   49    3 o  222.354   53.077   0.9991   0.6108   2.9511   1.4201   0.5560   0.6766  290.404   87.720  154.305   59.783 136.0981 106.1541 
1 1 1   18   49    5 o  216.315   47.039   1.5691   0.6187   0.5698   1.1790   1.9489   0.7268  177.204   74.985  255.426   56.814 -78.22198 94.07804 
1 1 1   18   49    7 o  150.696   41.545   0.5305   0.4607   0.0000   0.9089   0.7140   0.5344  141.774   62.827  159.618   54.375 -17.84418 83.08981 
1 1 1   18   49    9 f  239.854   51.841   1.9170   0.6814   1.6162   1.2925   2.0328   0.8020  222.512   83.485  257.196   61.482 -34.68385 103.6811 
1 1 1   18   49   11 o  164.511   40.137   0.7710   0.4124   0.8075   0.5820   0.7342   0.5844  167.297   56.748  161.724   56.777 5.572388 80.27396 
1 1 1   18   49   13 o  251.215   40.005   1.9257   0.5045   1.7422   0.7353   2.0889   0.6934  237.077   60.214  265.353   52.685 -28.27568 80.00908 
1 1 1   18   50    0 o  471.242   72.382   7.4362   1.4831   7.4122   1.8847   7.4752   2.4033  489.825   81.664  452.659  119.532 -0.000000 0.000000 
1 1 1   18   50    2 o  335.980   45.928   3.4945   0.7720   2.7363   1.0829   4.2777   1.1008  289.403   72.838  382.558   55.966 -93.15497 91.85590 
1 1 1   18   50    4 o  395.860   45.093   4.8246   0.8807   4.1132   1.2749   5.4738   1.2180  358.026   71.761  433.695   54.625 -75.66882 90.18611 
1 1 1   18   50    6 o  195.935   54.422   0.8563   0.8471   0.0000   1.1178   2.0121   1.2985  152.615   68.512  239.254   84.576 -86.63902 108.8438 
1 1 1   18   50    8 o  207.033   50.443   1.3907   0.6583   1.1158   1.0526   1.5673   0.8437  193.596   74.690  220.470   67.818 -26.87335 100.8855 
1 1 1   19    0    1 o  170.774   54.056   1.0666   0.5510   0.6180   0.7885   1.4948   0.7704  134.017   75.387  207.532   77.493 -0.000000 0.000000 
1 1 1   19    0    3 o  164.658   77.219   1.0249   0.7327   1.0249   0.7327   0.0000   0.0000  164.658   77.219  164.658   77.219 -0.000000 0.000000 
1 1 1   19    0    5 o  231.592   59.534   1.8753   0.6693   1.5426   0.9978   2.1475   0.9025  203.457   90.299  259.727   77.610 0.000000 0.000000 
1 1 1   19    0    7 o  674.827   51.147   12.588   1.6269   14.130   2.1149   10.352   2.5464  733.805   56.842  615.849   85.048 -0.000000 0.000000 
1 1 1   19    0    9 o  2451.87   44.327  156.832   5.4357  162.213   7.0127  148.732   8.6032  2506.82   54.470  2396.92   69.948 -0.000000 0.000000 
1 1 1   19    0   11 o  159.809   50.779   0.9108   0.4408   0.7403   0.5626   1.1818   0.7094  139.716   67.421  179.901   75.950 -0.000000 0.000000 
1 1 1   19    0   13 o  1381.70   41.726   49.503   2.9310   49.526   4.4131   49.485   3.9205  1381.27   62.434  1382.13   55.375 0.000000 0.000000 
1 1 1   19    0   15 o  1556.52   40.645   62.781   3.2346   62.116   4.7278   63.365   4.4350  1548.32   59.593  1564.72   55.287 0.000000 0.000000 
1 1 1   19    0   17 o  1513.57   40.249   59.442   3.1165   62.276   4.3597   56.481   4.4567  1551.09   54.825  1476.05   58.942 -0.000000 0.000000 
1 1 1   19    0   19 o  882.738   40.432   20.357   1.8173   20.341   2.5719   20.373   2.5682  882.372   57.246  883.105   57.112 0.000000 0.000000 
1 1 1   19    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   23 o  840.934   40.753   18.518   1.7427   18.374   2.4412   18.668   2.4885  837.638   57.303  844.231   57.962 0.000000 0.000000 
1 1 1   19    0   25 o  485.221   44.507   6.3884   1.0582   6.4354   1.4800   6.3393   1.5135  487.619   61.729  482.823   64.132 0.000000 0.000000 
1 1 1   19    0   27 o  573.888   43.458   8.8216   1.2455   9.0584   1.7523   8.5797   1.7706  582.474   59.969  565.303   62.914 -0.000000 0.000000 
1 1 1   19    0   29 o  169.253   56.077   1.0803   0.5492   1.2595   0.8076   0.9260   0.7491  183.196   81.237  155.311   77.324 0.000000 0.000000 
1 1 1   19    0   31 o  458.348   46.328   5.8060   1.0137   6.5122   1.4387   5.1097   1.4286  490.331   59.389  426.365   71.120 0.000000 0.000000 
1 1 1   19    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   35 o  281.071   54.086   2.5702   0.7109   3.6620   1.0226   1.5492   0.9889  360.843   60.146  201.299   89.909 0.000000 0.000000 
1 1 1   19    0   37 o  134.630   50.526   0.6938   0.4714   0.6848   0.6756   0.7023   0.6580  134.068   71.700  135.193   71.208 0.000000 0.000000 
1 1 1   19    0   39 o   71.703   46.289   0.0000   0.3975   0.0000   0.3975   0.0000   0.0000   71.703   46.289   71.703   46.289 -0.000000 0.000000 
1 1 1   19    0   41 o  143.151   51.570   0.7918   0.5001   1.0384   0.6833   0.5071   0.7340  163.790   74.696  122.512   71.121 -0.000000 0.000000 
1 1 1   19    0   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   45 o  121.348   66.768   0.5589   0.6026   0.5589   0.6026   0.0000   0.0000  121.348   66.768  121.348   66.768 0.000000 0.000000 
1 1 1   19    0   47 f   62.347   40.290   0.0000   0.3022   0.0000   0.0000   0.0000   0.3022   62.347   40.290   62.347   40.290 -0.000000 0.000000 
1 1 1   19    0   49 o  308.852   79.683   3.0578   1.0935   0.0000   0.0000   3.0578   1.0935  308.852   79.683  308.852   79.683 -0.000000 0.000000 
1 1 1   19    0   51 o  309.813   85.063   3.1914   1.1716   3.1914   1.1716   0.0000   0.0000  309.813   85.063  309.813   85.063 0.000000 0.000000 
1 1 1   19    0   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1    0 o  448.685   52.375   5.3963   1.1652   0.0000   0.0000   5.3963   1.1652  448.685   52.375  448.685   52.375 -0.000000 0.000000 
1 1 1   19    1    2 o  1105.70   48.436   31.728   2.7492   33.992   3.9118   29.518   3.8646  1144.99   66.452  1066.41   70.487 78.58081 96.87296 
1 1 1   19    1    4 o  788.159   46.171   16.112   1.8638   17.954   2.6634   14.344   2.6089  832.634   62.218  743.683   68.234 88.95099 92.34180 
1 1 1   19    1    6 o  995.451   38.445   25.802   1.8735   24.993   3.1514   26.244   2.3299  982.422   62.393  1008.48   44.937 -26.06006 76.89079 
1 1 1   19    1    8 o  2141.88   30.899  118.360   3.4019  117.870   4.8549  118.833   4.7682  2137.44   44.179  2146.33   43.210 -8.885254 61.79767 
1 1 1   19    1   10 o  1076.37   30.026   29.890   1.6607   28.672   2.3442   31.117   2.3530  1054.28   43.248  1098.46   41.665 -44.17676 60.05297 
1 1 1   19    1   12 o  850.583   29.416   18.657   1.2863   18.467   1.8107   18.851   1.8278  846.206   41.620  854.960   41.582 -8.754761 58.83250 
1 1 1   19    1   14 o  655.296   28.912   11.078   0.9738   11.254   1.3682   10.897   1.3863  660.613   40.283  649.980   41.484 10.63281 57.82426 
1 1 1   19    1   16 o  770.180   28.534   15.303   1.1296   15.523   1.5878   15.079   1.6074  775.803   39.808  764.558   40.892 11.24481 57.06876 
1 1 1   19    1   18 o  1477.29   28.131   56.307   2.1361   56.805   2.9990   55.794   3.0434  1483.98   39.308  1470.60   40.253 13.37952 56.26183 
1 1 1   19    1   20 o  1398.61   55.690   50.666   4.0045   50.666   4.0045   0.0000   0.0000  1398.61   55.690  ?   ?       ?      ? 
1 1 1   19    1   22 o  820.338   35.574   17.750   1.3996   16.466   2.4233   18.393   1.7144  796.569   59.173  844.106   39.504 -47.53711 71.14735 
1 1 1   19    1   24 o  1618.40   28.224   67.686   2.3469   70.572   3.3230   64.815   3.3150  1652.99   39.102  1583.81   40.710 69.17151 56.44723 
1 1 1   19    1   26 o  3169.41   28.356  259.799   4.6196  253.561   6.5261  266.064   6.5401  3131.06   40.541  3207.75   39.656 -76.68530 56.71149 
1 1 1   19    1   28 o  1016.48   28.747   26.789   1.5004   25.210   2.1206   28.372   2.1231  986.226   41.823  1046.73   39.452 -60.50250 57.49485 
1 1 1   19    1   30 o  407.585   30.965   4.3386   0.6382   3.3849   0.8868   5.3631   0.9191  360.464   47.851  454.707   39.316 -94.24374 61.93088 
1 1 1   19    1   32 o  1079.12   58.147   30.652   3.2260   30.652   3.2260   0.0000   0.0000  1079.12   58.147  ?   ?       ?      ? 
1 1 1   19    1   34 o  767.847   36.775   15.619   1.3608   15.178   2.3596   15.839   1.6657  756.518   60.667  779.176   41.582 -22.65845 73.54960 
1 1 1   19    1   36 o  345.497   31.518   3.1320   0.5598   3.1372   0.7975   3.1270   0.7860  345.733   44.865  345.261   44.279 0.4718628 63.03605 
1 1 1   19    1   38 o  613.249   30.214   9.8886   0.9526   9.9493   1.3519   9.8287   1.3425  615.112   42.749  611.385   42.710 3.727661 60.42864 
1 1 1   19    1   40 o  207.151   35.078   1.1690   0.3679   1.0008   0.4907   1.3848   0.5558  190.366   49.631  223.935   49.586 -33.56918 70.15686 
1 1 1   19    1   42 o  486.711   44.368   6.5085   1.1084   6.7304   1.5447   6.2730   1.5915  496.339   60.534  477.082   64.883 19.25702 88.73699 
1 1 1   19    1   44 o  182.198   38.536   0.7306   0.4537   0.0000   0.6085   1.6450   0.6808  123.012   53.006  241.383   55.950 -118.3715 77.07188 
1 1 1   19    1   46 o  252.591   46.039   1.8524   0.6018   1.7105   0.8299   2.0098   0.8739  242.440   65.174  262.742   65.043 -20.30244 92.07724 
1 1 1   19    1   48 f  159.335   39.768   0.6318   0.4235   0.8951   0.5672   0.3002   0.6366  178.699   55.715  139.971   56.761 38.72763 79.53613 
1 1 1   19    1   50 o  295.738   46.807   2.6444   0.7316   1.5586   1.0275   3.7608   1.0419  226.188   75.402  365.289   55.479 -139.1004 93.61324 
1 1 1   19    1   52 o  236.250   39.571   1.8774   0.5180   2.5034   0.6369   0.6535   0.8905  302.651   40.929  169.849   67.737 132.8017 79.14237 
1 1 1   19    1   54 o  160.466   38.731   0.6516   0.3547   0.5062   0.4188   1.0206   0.6671  137.392   48.077  183.541   60.736 -46.14960 77.46167 
1 1 1   19    2    1 f  1072.32   49.211   29.835   2.7124   30.728   3.8571   28.961   3.8152  1088.29   68.936  1056.35   70.248 31.93335 98.42202 
1 1 1   19    2    3 o  1590.76   67.327   65.620   5.5063   65.620   5.5063   0.0000   0.0000  1590.76   67.327  ?   ?       ?      ? 
1 1 1   19    2    5 o  1452.76   48.095   55.018   3.5672   57.769   4.8471   51.767   5.2689  1493.46   63.128  1412.05   72.578 81.41626 96.19057 
1 1 1   19    2    7 o  750.924   37.166   14.583   1.3686   14.526   2.3106   14.615   1.6986  749.196   59.987  752.652   43.896 -3.456543 74.33198 
1 1 1   19    2    9 o  1887.21   30.480   91.892   2.9565   90.645   4.2136   93.101   4.1493  1874.50   43.722  1899.92   42.479 -25.41553 60.95911 
1 1 1   19    2   11 o  1360.20   29.803   47.711   2.0840   46.961   2.9293   48.480   2.9654  1349.37   42.225  1371.04   42.070 -21.66541 59.60513 
1 1 1   19    2   13 o  898.530   29.266   20.870   1.3488   22.123   1.8864   19.560   1.9292  926.304   39.610  870.755   43.094 55.54913 58.53202 
1 1 1   19    2   15 o  953.918   28.628   23.463   1.4035   23.280   1.9553   23.659   2.0159  950.103   40.028  957.733   40.940 -7.629456 57.25684 
1 1 1   19    2   17 o  1603.98   28.275   66.390   2.3304   67.280   3.2555   65.454   3.3373  1615.12   39.205  1592.85   40.752 22.27502 56.54912 
1 1 1   19    2   19 o  1488.54   39.486   57.430   3.0187   59.892   4.2443   54.910   4.2943  1521.16   54.270  1455.93   57.370 65.23352 78.97148 
1 1 1   19    2   21 o  848.011   35.195   18.825   1.4310   19.239   1.7454   17.976   2.4992  863.414   39.320  832.607   58.383 30.80695 70.38930 
1 1 1   19    2   23 o  1563.24   34.843   63.646   2.6327   62.152   4.5539   64.396   3.2266  1547.43   57.241  1579.06   39.744 -31.62878 69.68576 
1 1 1   19    2   25 o  1324.07   28.279   45.316   1.9241   43.502   2.7135   47.150   2.7287  1297.29   40.684  1350.85   39.289 -53.55798 56.55865 
1 1 1   19    2   27 o  695.941   29.011   12.538   1.0380   12.713   1.4738   12.366   1.4621  700.764   40.907  691.117   41.148 9.646606 58.02168 
1 1 1   19    2   29 o  1595.47   28.705   66.008   2.3540   64.087   3.3159   67.959   3.3424  1571.93   41.030  1619.02   40.154 -47.09253 57.40937 
1 1 1   19    2   31 o  1214.56   36.289   39.434   2.1137   36.036   3.6388   41.165   2.5967  1170.21   60.482  1258.91   40.119 -88.69360 72.57834 
1 1 1   19    2   33 o  559.627   39.624   8.7894   1.0261   9.7294   1.2528   6.8740   1.7884  611.409   39.855  507.844   68.497 103.5653 79.24784 
1 1 1   19    2   35 o  898.679   29.552   21.115   1.3646   21.946   1.9292   20.283   1.9304  916.679   40.934  880.678   42.634 36.00073 59.10378 
1 1 1   19    2   37 o  579.877   30.100   8.8348   0.8962   9.2481   1.2584   8.4094   1.2765  594.029   41.206  565.725   43.888 28.30414 60.19980 
1 1 1   19    2   39 o  600.996   38.284   9.8805   1.0931   10.297   1.3337   9.0282   1.9075  625.556   41.470  576.436   64.366 49.11963 76.56819 
1 1 1   19    2   41 o  735.865   35.881   13.577   1.2948   11.643   1.5704   17.683   2.2882  661.774   46.156  809.956   54.950 -148.1824 71.76293 
1 1 1   19    2   43 o  503.341   43.823   6.7405   1.1340   6.7405   1.1340   0.0000   0.0000  503.341   43.823  ?   ?       ?      ? 
1 1 1   19    2   45 o  605.630   36.855   9.5492   1.0893   8.7259   1.3227   11.285   1.9205  570.784   45.073  640.476   58.323 -69.69141 73.70959 
1 1 1   19    2   47 o  157.778   39.706   0.5867   0.4204   0.2912   0.5932   0.8850   0.5959  136.630   55.006  178.926   57.275 -42.29619 79.41132 
1 1 1   19    2   49 f  284.246   47.949   2.3989   0.6981   1.8270   0.9468   3.0805   1.0335  245.239   71.010  323.253   64.450 -78.01401 95.89742 
1 1 1   19    2   51 o  218.301   40.173   1.4817   0.4683   1.8056   0.5970   0.9637   0.7550  251.953   47.834  184.648   64.554 67.30412 80.34538 
1 1 1   19    2   53 o  256.640   67.784   2.0887   0.9077   2.0887   0.9077   0.0000   0.0000  256.640   67.784  ?   ?       ?      ? 
1 1 1   19    3    0 o  2067.85   49.326  110.367   5.2373  110.367   5.2373   0.0000   0.0000  2067.85   49.326  2067.85   49.326 0.000000 0.000000 
1 1 1   19    3    2 o  941.786   48.168   22.983   2.3299   24.503   3.3464   21.553   3.2458  972.122   66.956  911.449   69.265 60.67273 96.33680 
1 1 1   19    3    4 o  3287.17   45.364  279.876   7.6463  280.857   11.238  279.031   10.434  3291.62   66.405  3282.72   61.823 8.899902 90.72835 
1 1 1   19    3    6 o  1075.14   43.680   30.477   2.1993   31.313   2.6372   28.567   3.9856  1101.45   46.571  1048.83   73.912 52.61804 87.36050 
1 1 1   19    3    8 o  1183.72   45.586   35.963   2.7437   34.183   3.5858   38.477   4.2614  1149.24   60.688  1218.21   68.040 -68.97180 91.17274 
1 1 1   19    3   10 o  293.792   37.986   2.2901   0.5360   2.2108   0.8943   2.3345   0.6696  286.751   62.431  300.832   43.290 -14.08096 75.97187 
1 1 1   19    3   12 o  1666.76   29.365   71.662   2.5147   72.101   3.5008   71.194   3.6147  1672.14   40.721  1661.39   42.319 10.75061 58.72935 
1 1 1   19    3   14 o  2109.12   34.470  114.508   3.5945  116.265   5.9869  113.517   4.4948  2120.41   54.918  2097.83   41.675 22.57959 68.94002 
1 1 1   19    3   16 o  623.866   28.961   10.024   0.9211   8.3453   1.2693   11.891   1.3387  568.649   43.415  679.083   38.342 -110.4330 57.92226 
1 1 1   19    3   18 o  812.355   39.575   17.077   1.6523   16.472   2.3139   17.705   2.3603  797.651   56.423  827.059   55.508 -29.40796 79.14937 
1 1 1   19    3   20 o  841.279   28.425   18.260   1.2291   17.999   1.7150   18.536   1.7625  835.111   39.944  847.448   40.452 -12.33667 56.84929 
1 1 1   19    3   22 o  1140.98   34.563   33.493   1.9073   33.123   2.3253   34.253   3.3341  1132.65   39.931  1149.31   56.426 -16.66541 69.12567 
1 1 1   19    3   24 o  673.377   28.675   11.722   0.9920   12.228   1.4021   11.215   1.4036  688.004   39.640  658.749   41.444 29.25525 57.34931 
1 1 1   19    3   26 o  730.733   28.818   13.837   1.0801   14.889   1.5248   12.778   1.5302  758.836   39.083  702.629   42.361 56.20728 57.63644 
1 1 1   19    3   28 o  577.789   29.448   8.6962   0.8687   9.8287   1.2253   7.5519   1.2317  616.125   38.683  539.453   44.410 76.67120 58.89500 
1 1 1   19    3   30 o  871.226   35.910   19.937   1.5138   19.425   2.6088   20.198   1.8588  860.442   58.973  882.009   40.991 -21.56659 71.81993 
1 1 1   19    3   32 f  641.722   36.075   10.679   1.1223   10.472   1.3696   11.102   1.9580  634.255   42.003  649.190   58.663 -14.93451 72.14976 
1 1 1   19    3   34 o  425.830   49.395   5.1885   0.9914   7.5461   1.4004   2.8192   1.4038  535.803   50.837  315.856   84.706 219.9470 98.79000 
1 1 1   19    3   36 o  884.685   35.017   19.589   1.5204   17.361   1.8502   24.221   2.6683  813.449   44.241  955.922   54.292 -142.4724 70.03494 
1 1 1   19    3   38 o  588.340   37.050   9.1524   1.0547   9.0435   1.2880   9.3739   1.8375  586.381   42.722  590.299   60.545 -3.917053 74.10032 
1 1 1   19    3   40 o  560.908   36.762   8.2075   1.0062   7.7760   1.2285   9.0868   1.7538  542.148   44.075  579.668   58.849 -37.52094 73.52403 
1 1 1   19    3   42 o  315.000   66.448   2.8301   1.0423   2.8301   1.0423   0.0000   0.0000  315.000   66.448  ?   ?       ?      ? 
1 1 1   19    3   44 o  214.272   39.805   1.2186   0.5115   0.2829   0.7119   2.2164   0.7352  146.285   59.758  282.258   52.600 -135.9731 79.61016 
1 1 1   19    3   46 o  189.218   40.049   0.9572   0.3979   0.8638   0.4805   1.1612   0.7097  175.967   50.481  202.469   62.189 -26.50191 80.09845 
1 1 1   19    3   48 o  365.542   46.082   4.8562   0.6905   5.8537   0.8066   2.1219   1.3355  470.318   33.358  260.765   85.916 209.5524 92.16486 
1 1 1   19    3   50 o  172.206   38.902   0.8534   0.3855   0.9579   0.4679   0.6323   0.6805  182.982   48.826  161.430   60.576 21.55212 77.80371 
1 1 1   19    3   52 o  116.776   41.829   0.3323   0.3186   0.3323   0.3186   0.0000   0.0000  116.776   41.829  ?   ?       ?      ? 
1 1 1   19    4    1 o  1145.02   44.072   35.077   2.3934   30.909   4.1666   37.130   2.9240  1090.78   74.298  1199.25   47.424 -108.4700 88.14320 
1 1 1   19    4    3 o  1171.44   46.636   35.501   2.8047   36.756   4.1021   34.399   3.8433  1190.69   67.011  1152.19   64.879 38.50000 93.27226 
1 1 1   19    4    5 o  858.973   39.334   18.956   1.6160   19.407   2.8866   18.751   1.9503  865.469   64.873  852.477   44.499 12.99188 78.66805 
1 1 1   19    4    7 o  1211.93   31.704   37.915   1.9701   37.659   2.8892   38.138   2.6934  1207.93   46.523  1215.93   43.085 -8.004517 63.40867 
1 1 1   19    4    9 o  655.084   39.572   10.501   1.2292   9.6540   1.4522   12.640   2.3084  611.617   46.181  698.551   64.274 -86.93384 79.14452 
1 1 1   19    4   11 o  791.935   34.674   15.708   1.3734   18.263   2.2792   14.252   1.7208  840.689   52.732  743.182   45.038 97.50775 69.34721 
1 1 1   19    4   13 o  437.947   30.118   4.9453   0.6685   3.8983   0.9191   6.1213   0.9742  388.625   46.002  487.269   38.886 -98.64435 60.23574 
1 1 1   19    4   15 o  3409.14   28.553  299.716   4.9974  298.964   6.8822  300.556   7.2685  3404.91   39.314  3413.37   41.418 -8.463379 57.10599 
1 1 1   19    4   17 o  769.957   39.500   15.332   1.5627   14.594   2.1801   16.111   2.2411  750.864   56.473  789.050   55.243 -38.18646 79.00016 
1 1 1   19    4   19 o  774.678   28.763   15.582   1.1381   17.237   1.5875   13.832   1.6326  817.463   37.771  731.893   43.388 85.56964 57.52562 
1 1 1   19    4   21 o  943.708   28.435   22.985   1.3793   22.799   1.9265   23.181   1.9756  939.821   39.871  947.595   40.552 -7.773315 56.86973 
1 1 1   19    4   23 o  543.060   41.497   7.6617   1.1573   8.1189   1.6451   7.2137   1.6285  559.241   57.215  526.880   60.119 32.36096 82.99306 
1 1 1   19    4   25 o  772.118   28.615   15.413   1.1358   15.689   1.6066   15.137   1.6059  779.077   40.111  765.159   40.821 13.91870 57.22974 
1 1 1   19    4   27 f  1100.14   28.762   31.383   1.6228   33.968   2.2982   28.811   2.2917  1145.72   39.016  1054.56   42.269 91.15417 57.52329 
1 1 1   19    4   29 f  636.733   29.894   10.610   0.9628   12.910   1.3718   8.3769   1.3517  705.927   37.797  567.539   46.325 138.3882 59.78788 
1 1 1   19    4   31 o  497.384   34.512   6.0751   0.8442   5.2366   1.0277   7.8148   1.4803  448.400   44.580  546.367   52.697 -97.96719 69.02402 
1 1 1   19    4   33 o  568.740   35.245   8.0753   0.9819   7.2412   1.1934   9.8234   1.7276  526.663   44.074  610.816   55.012 -84.15295 70.48995 
1 1 1   19    4   35 o  670.753   42.502   11.971   1.4655   12.216   2.0792   11.728   2.0660  677.749   59.671  663.757   60.540 13.99268 85.00441 
1 1 1   19    4   37 o  222.155   41.786   1.1805   0.4472   0.9208   0.5220   1.8971   0.8669  183.934   52.567  260.375   64.968 -76.44124 83.57156 
1 1 1   19    4   39 o  399.742   37.611   3.6949   0.7185   2.6852   0.8499   6.2239   1.3450  317.239   52.108  482.244   54.250 -165.0054 75.22217 
1 1 1   19    4   41 o  467.855   44.693   5.9914   1.0694   5.2439   1.4900   6.7854   1.5357  436.266   66.429  499.444   59.807 -63.17825 89.38554 
1 1 1   19    4   43 o  475.551   40.298   6.4039   0.9012   6.8735   1.1036   5.4637   1.5615  508.841   42.184  442.261   68.675 66.58002 80.59611 
1 1 1   19    4   45 o  215.673   40.710   1.3536   0.4479   1.4556   0.5455   1.1423   0.7848  228.689   47.926  202.657   65.820 26.03290 81.41951 
1 1 1   19    4   47 o  132.836   32.874   0.4384   0.2481   0.4742   0.2780   0.2981   0.5502  132.031   38.552  133.642   53.259 -1.610855 65.74825 
1 1 1   19    4   49 o  169.611   37.158   0.8231   0.3582   0.9345   0.4464   0.6217   0.6002  181.499   47.342  157.722   57.286 23.77669 74.31694 
1 1 1   19    4   51 o  122.903   33.033   0.3244   0.2852   0.3243   0.3714   0.3245   0.4451  120.141   44.814  125.665   48.544 -5.524040 66.06671 
1 1 1   19    4   53 f  321.727   45.799   3.4241   0.7050   4.0268   0.8828   2.3637   1.1710  379.671   45.228  263.784   79.653 115.8875 91.59774 
1 1 1   19    5    0 o  1087.78   49.795   30.679   2.7715   0.0000   0.0000   30.679   2.7715  1087.78   49.795  1087.78   49.795 -0.000000 0.000000 
1 1 1   19    5    2 o  2278.56   42.261  135.616   4.6064  130.891   8.1024  137.873   5.5994  2246.07   70.165  2311.05   47.126 -64.98291 84.52224 
1 1 1   19    5    4 o  1607.29   44.750   67.361   3.6467   63.928   5.5613   69.950   4.8301  1570.01   68.897  1644.56   57.127 -74.54602 89.50003 
1 1 1   19    5    6 o  1281.43   36.033   42.369   2.3546   42.054   3.1311   42.778   3.5721  1276.34   47.716  1286.51   54.006 -10.17212 72.06558 
1 1 1   19    5    8 o  1031.02   31.333   27.412   1.6590   27.686   2.4084   27.165   2.2887  1035.84   45.223  1026.19   43.380 9.652222 62.66524 
1 1 1   19    5   10 o  1397.34   40.253   49.894   2.6025   49.131   3.0610   51.883   4.9435  1380.08   43.141  1414.60   67.972 -34.51855 80.50663 
1 1 1   19    5   12 o  1458.85   35.084   54.700   2.5395   55.979   4.2028   53.965   3.1870  1471.35   55.559  1446.35   42.859 24.99951 70.16866 
1 1 1   19    5   14 o  1179.66   35.599   36.533   2.0599   33.940   3.4102   38.023   2.5847  1145.20   57.919  1214.11   41.407 -68.90576 71.19857 
1 1 1   19    5   16 o  820.508   39.276   17.422   1.6564   17.498   2.3193   17.343   2.3664  822.400   54.853  818.616   56.227 3.784485 78.55112 
1 1 1   19    5   18 f  2086.92   28.304  112.260   3.0342  109.903   4.1888  114.863   4.4012  2063.99   39.474  2109.84   40.575 -45.84644 56.60831 
1 1 1   19    5   20 o  355.810   30.275   3.3042   0.5478   3.7179   0.7570   2.8495   0.7937  379.584   38.791  332.035   46.492 47.54941 60.54993 
1 1 1   19    5   22 o  1669.52   28.352   72.000   2.4324   72.769   3.3993   71.193   3.4822  1678.79   39.385  1660.25   40.795 18.54114 56.70429 
1 1 1   19    5   24 o  1792.56   35.132   83.891   3.0452   81.330   5.2525   85.187   3.7374  1769.34   57.742  1815.77   40.035 -46.43286 70.26305 
1 1 1   19    5   26 o  341.293   31.537   3.0612   0.5436   3.6553   0.7605   2.4408   0.7772  375.929   39.347  306.656   49.296 69.27258 63.07384 
1 1 1   19    5   28 o  217.392   40.504   1.2544   0.4403   1.3386   0.7639   1.2125   0.5388  223.111   63.533  211.673   50.260 11.43733 81.00893 
1 1 1   19    5   30 o  333.496   62.625   3.0167   1.0343   3.0167   1.0343   0.0000   0.0000  333.496   62.625  ?   ?       ?      ? 
1 1 1   19    5   32 o  706.580   34.767   12.312   1.2046   10.751   1.4623   15.609   2.1249  642.073   44.296  771.086   53.600 -129.0126 69.53490 
1 1 1   19    5   34 o  466.638   37.410   5.7231   0.8346   5.6979   1.0097   5.7775   1.4833  467.122   42.041  466.154   61.891 0.9677124 74.81930 
1 1 1   19    5   36 o  597.774   40.266   10.041   1.1090   10.904   1.3421   8.1820   1.9691  645.619   40.434  549.928   69.647 95.69098 80.53278 
1 1 1   19    5   38 o  281.555   42.701   2.5334   0.5786   3.1158   0.6959   1.2297   1.0413  344.723   39.267  218.387   75.840 126.3355 85.40219 
1 1 1   19    5   40 o  261.285   42.247   2.2133   0.5777   2.8832   0.6993   0.7732   1.0253  330.651   41.134  191.918   73.805 138.7328 84.49385 
1 1 1   19    5   42 o  364.563   37.335   3.4998   0.6998   3.4998   0.6998   0.0000   0.0000  364.563   37.335  ?   ?       ?      ? 
1 1 1   19    5   44 o  203.944   36.722   0.9687   0.3486   0.7381   0.4004   1.6915   0.7089  163.653   45.788  244.236   57.424 -80.58269 73.44430 
1 1 1   19    5   46 o  338.173   39.250   3.0852   0.6385   2.8538   0.7868   3.5316   1.0928  325.108   47.073  351.238   62.820 -26.12936 78.50006 
1 1 1   19    5   48 o  463.703   35.679   5.6584   0.7451   5.3989   0.8594   6.4443   1.4955  450.002   37.144  477.405   60.928 -27.40289 71.35751 
1 1 1   19    5   50 o  236.434   42.871   1.5614   0.4809   1.4288   0.5633   1.9177   0.9237  223.017   50.325  249.852   69.421 -26.83485 85.74281 
1 1 1   19    5   52 o  343.219   36.890   3.1878   0.6510   3.1878   0.6510   0.0000   0.0000  343.219   36.890  ?   ?       ?      ? 
1 1 1   19    6    1 o  627.073   34.592   10.158   1.1148   9.8871   1.5832   10.424   1.5699  618.739   49.770  635.407   48.056 -16.66754 69.18418 
1 1 1   19    6    3 o  1510.95   45.422   59.242   3.4908   58.411   5.3195   59.871   4.6263  1500.75   68.944  1521.15   59.155 -20.40063 90.84373 
1 1 1   19    6    5 o  1413.63   40.453   52.783   2.6534   49.086   4.8745   54.339   3.1631  1375.78   68.914  1451.48   42.387 -75.70422 80.90665 
1 1 1   19    6    7 o  1592.16   31.820   65.419   2.5965   65.272   3.8243   65.545   3.5366  1590.26   46.775  1594.06   43.153 -3.796997 63.64034 
1 1 1   19    6    9 o  634.494   31.143   10.383   1.0157   10.534   1.4535   10.240   1.4200  638.980   44.246  630.008   43.840 8.971558 62.28664 
1 1 1   19    6   11 o  1063.23   39.320   28.697   1.9191   28.068   2.2425   30.420   3.7094  1043.19   41.813  1083.28   66.603 -40.08643 78.64037 
1 1 1   19    6   13 o  1893.91   42.592   92.536   4.1472   0.0000   0.0000   92.536   4.1472  ?   ?   1893.91   42.592      ?      ? 
1 1 1   19    6   15 o  988.999   39.212   25.341   1.9910   26.462   2.7884   24.175   2.8438  1011.55   53.616  966.448   57.234 45.10211 78.42436 
1 1 1   19    6   17 o  2026.40   28.577  106.139   2.9681  108.804   4.0729  103.119   4.3345  2053.91   38.570  1998.89   42.177 55.02429 57.15417 
1 1 1   19    6   19 o  189.249   33.063   0.9756   0.3306   1.3154   0.4575   0.6040   0.4784  222.175   41.579  156.323   51.418 65.85156 66.12551 
1 1 1   19    6   21 o  1374.84   28.562   48.921   2.0139   51.418   2.8027   46.255   2.8957  1411.45   38.622  1338.22   42.089 73.23865 57.12349 
1 1 1   19    6   23 o  2495.20   34.759  158.320   4.1786  153.130   5.0510  169.576   7.4381  2434.58   40.354  2555.81   56.606 -121.2349 69.51745 
1 1 1   19    6   25 o  1850.46   35.058   88.655   3.1563   89.306   5.4305   88.323   3.8786  1852.94   57.005  1847.99   40.824 4.947876 70.11515 
1 1 1   19    6   27 o  675.818   41.754   11.929   1.4506   11.726   2.0459   12.133   2.0572  669.987   59.393  681.648   58.702 -11.66168 83.50742 
1 1 1   19    6   29 o  936.528   57.301   22.967   2.7590   22.967   2.7590   0.0000   0.0000  936.528   57.301  ?   ?       ?      ? 
1 1 1   19    6   31 o  460.265   37.630   5.5999   0.8301   5.6908   1.0115   5.4123   1.4529  467.681   42.067  452.849   62.405 14.83258 75.25996 
1 1 1   19    6   33 o  201.473   38.558   1.1741   0.4177   1.4356   0.5128   0.6589   0.7199  230.613   44.869  172.332   62.719 58.28026 77.11632 
1 1 1   19    6   35 o  853.947   42.942   19.484   1.8729   22.187   2.6683   16.859   2.6295  914.396   56.759  793.498   64.454 120.8981 85.88343 
1 1 1   19    6   37 o  634.671   42.643   11.959   1.2113   13.940   1.4841   8.0051   2.0967  729.550   39.566  539.792   75.552 189.7585 85.28512 
1 1 1   19    6   39 o  307.160   36.238   2.1220   0.4987   1.7063   0.5662   3.5600   1.0530  250.337   45.675  363.984   56.272 -113.6470 72.47581 
1 1 1   19    6   41 o  362.079   45.600   3.4864   0.8489   3.4864   0.8489   0.0000   0.0000  362.079   45.600  ?   ?       ?      ? 
1 1 1   19    6   43 o  602.369   37.156   10.236   0.9793   10.704   1.1398   8.9168   1.9136  638.145   34.741  566.593   65.690 71.55225 74.31113 
1 1 1   19    6   45 o  187.173   36.546   0.7540   0.3827   0.2729   0.4665   1.7451   0.6695  125.608   49.361  248.737   53.907 -123.1289 73.09200 
1 1 1   19    6   47 o  445.949   33.121   4.8760   0.6858   4.2655   0.7939   6.6712   1.3614  399.966   38.609  491.932   53.826 -91.96597 66.24133 
1 1 1   19    6   49 o  229.865   38.453   1.7134   0.4271   1.9689   0.4933   0.9475   0.8540  271.766   35.305  187.964   68.323 83.80193 76.90588 
1 1 1   19    6   51 o  420.581   46.093   4.8911   0.9967   4.8911   0.9967   0.0000   0.0000  420.581   46.093  ?   ?       ?      ? 
1 1 1   19    6   53 o  184.337   38.467   0.8678   0.3397   0.7260   0.3850   1.3663   0.7219  158.725   45.075  209.949   62.347 -51.22328 76.93400 
1 1 1   19    7    0 o  1860.53   49.465   89.375   4.7240   89.375   4.7240   0.0000   0.0000  1860.53   49.465  1860.53   49.465 0.000000 0.000000 
1 1 1   19    7    2 o  838.502   41.699   18.150   1.6630   18.298   2.9897   18.084   2.0011  839.952   69.231  837.052   46.499 2.899902 83.39716 
1 1 1   19    7    4 o  906.394   42.802   20.951   1.9571   22.832   3.1355   19.751   2.5049  938.760   64.966  874.027   55.744 64.73273 85.60397 
1 1 1   19    7    6 o  2580.76   32.201  171.965   4.2502  170.912   6.3334  172.828   5.7327  2573.05   47.876  2588.47   43.077 -15.41675 64.40276 
1 1 1   19    7    8 o  719.849   31.958   13.449   1.1758   12.264   1.7041   14.525   1.6244  689.234   48.091  750.465   42.101 -61.23096 63.91627 
1 1 1   19    7   10 o  1979.56   30.289  101.054   3.0822   98.751   4.3198  103.443   4.3990  1956.57   42.944  2002.55   42.726 -45.97888 60.57839 
1 1 1   19    7   12 o  258.316   46.699   1.9080   0.6484   2.4860   0.8256   0.9780   1.0473  305.565   54.552  211.068   75.812 94.49696 93.39856 
1 1 1   19    7   14 o  593.679   34.243   9.0965   0.9855   9.0810   1.2070   9.1275   1.7070  593.397   39.565  593.962   55.900 -0.5650024 68.48506 
1 1 1   19    7   16 o  1622.23   28.777   68.059   2.3904   69.967   3.2650   65.854   3.5092  1647.09   38.556  1597.36   42.731 49.73926 57.55415 
1 1 1   19    7   18 o  456.280   29.990   5.4050   0.6990   5.7277   0.9553   5.0330   1.0256  471.157   39.436  441.402   45.193 29.75439 59.98037 
1 1 1   19    7   20 o  360.472   35.910   3.1615   0.6444   4.2709   1.0885   2.5630   0.7995  406.180   52.126  314.764   49.407 91.41614 71.82037 
1 1 1   19    7   22 o  1008.74   28.654   26.308   1.4843   26.822   2.0623   25.756   2.1381  1019.12   39.360  998.372   41.654 20.74591 57.30862 
1 1 1   19    7   24 o  1785.38   40.986   82.735   3.7570   76.898   5.2103   89.058   5.4225  1719.55   58.935  1851.22   56.974 -131.6661 81.97186 
1 1 1   19    7   26 o  224.116   40.675   1.1425   0.4277   0.8821   0.4933   1.9305   0.8582  181.692   50.819  266.540   63.524 -84.84865 81.35063 
1 1 1   19    7   28 o  481.621   41.592   6.0750   1.0290   6.1764   1.4343   5.9675   1.4772  485.967   57.406  477.276   60.200 8.691559 83.18336 
1 1 1   19    7   30 o  366.182   41.172   3.7628   0.6801   4.0673   0.8247   3.1153   1.2026  395.699   40.536  336.666   71.675 59.03308 82.34351 
1 1 1   19    7   32 o  602.740   38.696   10.029   1.0958   10.911   1.3432   8.2742   1.8946  647.437   40.354  558.042   66.037 89.39502 77.39101 
1 1 1   19    7   34 o  888.211   35.334   21.433   1.3703   22.109   1.5835   19.416   2.7341  922.628   33.384  853.794   62.287 68.83466 70.66886 
1 1 1   19    7   36 o  206.759   42.013   1.0907   0.4449   0.9329   0.5359   1.4403   0.7978  185.325   53.357  228.193   64.911 -42.86844 84.02651 
1 1 1   19    7   38 o  266.793   39.084   1.7044   0.4456   1.4899   0.5011   2.5148   0.9740  234.387   43.171  299.200   65.165 -64.81224 78.16819 
1 1 1   19    7   40 o  190.287   63.228   0.9580   0.7227   0.9580   0.7227   0.0000   0.0000  190.287   63.228  ?   ?       ?      ? 
1 1 1   19    7   42 o  375.544   46.310   4.6730   0.6855   5.2721   0.7854   2.7566   1.4046  448.252   34.079  302.835   86.123 145.4165 92.62050 
1 1 1   19    7   44 o  413.467   35.400   4.3637   0.6659   4.0914   0.7690   5.1802   1.3314  393.282   38.032  433.653   59.719 -40.37073 70.80061 
1 1 1   19    7   46 o  342.784   38.631   3.0242   0.6410   2.2285   0.7953   4.4999   1.0830  279.712   57.231  405.856   51.904 -126.1441 77.26250 
1 1 1   19    7   48 o  226.731   37.049   1.3029   0.3781   1.1213   0.4340   1.8745   0.7700  200.222   43.413  253.240   60.049 -53.01773 74.09806 
1 1 1   19    7   50 o  171.801   42.269   0.8034   0.4636   0.6145   0.6718   0.9751   0.6406  159.493   60.119  184.109   59.433 -24.61623 84.53772 
1 1 1   19    7   52 o  246.502   39.587   1.8221   0.4446   1.8662   0.5131   1.6892   0.8908  261.983   38.095  231.021   69.406 30.96266 79.17342 
1 1 1   19    8    1 o  1245.24   43.129   40.679   2.5527   38.682   4.5249   41.612   3.0917  1220.83   72.092  1269.66   47.364 -48.82617 86.25852 
1 1 1   19    8    3 o  822.886   45.281   18.028   1.8342   15.647   2.9474   19.533   2.3433  776.276   73.850  869.495   52.419 -93.21906 90.56195 
1 1 1   19    8    5 o  619.600   43.946   10.752   1.2158   8.2231   2.2387   11.810   1.4480  562.478   77.415  676.722   41.618 -114.2434 87.89297 
1 1 1   19    8    7 o  446.724   32.262   5.1310   0.7393   5.4289   1.0911   4.8783   1.0052  458.640   46.274  434.808   44.967 23.83145 64.52330 
1 1 1   19    8    9 o  151.107   34.623   0.5467   0.2914   0.6461   0.5179   0.5006   0.3524  162.077   53.508  140.137   43.952 21.94049 69.24526 
1 1 1   19    8   11 o  916.180   40.304   21.862   1.8846   19.284   2.7075   24.285   2.6248  863.003   61.021  969.357   52.668 -106.3543 80.60748 
1 1 1   19    8   13 o  460.896   58.676   5.4991   1.3904   5.4991   1.3904   0.0000   0.0000  460.896   58.676  ?   ?       ?      ? 
1 1 1   19    8   15 o  1530.69   29.231   60.965   2.2784   65.398   3.0923   55.700   3.3699  1592.54   37.768  1468.83   44.624 123.7070 58.46141 
1 1 1   19    8   17 o  1815.35   28.730   84.974   2.6745   84.134   3.6453   85.953   3.9361  1805.87   39.262  1824.82   41.955 -18.95679 57.46038 
1 1 1   19    8   19 o  1116.91   36.235   31.587   1.8971   30.634   2.2436   33.977   3.5532  1089.43   40.057  1144.40   60.392 -54.96387 72.46899 
1 1 1   19    8   21 o  1010.02   35.457   25.735   1.7066   24.672   2.0394   28.218   3.1174  977.370   40.585  1042.68   58.152 -65.30640 70.91429 
1 1 1   19    8   23 f  613.286   36.064   9.4335   1.0545   8.9443   1.2579   10.590   1.9339  588.249   41.594  638.323   58.928 -50.07410 72.12870 
1 1 1   19    8   25 o  271.205   41.763   1.9109   0.6656   3.7290   0.9555   0.1974   0.9276  379.080   49.029  163.330   67.623 215.7495 83.52635 
1 1 1   19    8   27 o  1842.58   40.927   88.636   3.8751   84.875   5.3982   92.635   5.5661  1802.09   58.264  1883.08   57.493 -80.98962 81.85416 
1 1 1   19    8   29 o  553.941   41.633   7.9699   1.1857   7.9699   1.1857   0.0000   0.0000  553.941   41.633  ?   ?       ?      ? 
1 1 1   19    8   31 o  1099.96   34.970   30.755   1.8789   28.923   2.2916   34.512   3.2819  1053.96   42.291  1145.95   55.705 -91.99023 69.93961 
1 1 1   19    8   33 o  600.882   36.236   9.8288   0.9419   10.147   1.0842   8.8510   1.9014  625.188   33.732  576.576   64.143 48.61255 72.47154 
1 1 1   19    8   35 o  427.665   43.717   5.2915   0.8415   5.9453   1.0375   4.0342   1.4386  476.466   42.352  378.864   76.493 97.60126 87.43487 
1 1 1   19    8   37 o  707.792   34.068   12.686   1.0807   12.125   1.2414   14.442   2.1966  681.456   35.432  734.127   58.199 -52.67053 68.13625 
1 1 1   19    8   39 o  251.465   43.463   1.7486   0.5207   1.7179   0.6184   1.8233   0.9651  249.915   49.877  253.016   71.192 -3.100967 86.92553 
1 1 1   19    8   41 o  349.718   46.175   3.7195   0.7244   4.1620   0.8705   2.7236   1.3060  396.267   42.729  303.168   81.870 93.09872 92.34994 
1 1 1   19    8   43 o  434.545   37.727   5.2561   0.7100   5.3945   0.8182   4.8339   1.4290  452.790   35.147  416.300   66.767 36.48969 75.45310 
1 1 1   19    8   45 o  426.318   37.228   4.3138   0.7609   2.9769   0.9096   7.4283   1.3884  330.104   53.598  522.533   51.681 -192.4295 74.45611 
1 1 1   19    8   47 o  314.674   35.151   2.4117   0.5055   2.1014   0.5792   3.4031   1.0353  280.142   40.215  349.207   57.665 -69.06400 70.30286 
1 1 1   19    8   49 o  343.772   42.518   3.3637   0.6705   3.2882   0.8013   3.5401   1.2248  347.098   44.901  340.446   72.214 6.651215 85.03527 
1 1 1   19    8   51 o  161.965   36.819   0.6305   0.2971   0.5332   0.3337   1.0034   0.6531  138.714   42.646  185.217   60.032 -46.50256 73.63760 
1 1 1   19    8   53 o  215.411   36.209   1.6626   0.4308   2.1290   0.5013   0.3474   0.8419  280.291   34.790  150.531   63.514 129.7594 72.41796 
1 1 1   19    9    0 o  1282.71   69.133   42.848   4.5289   0.0000   0.0000   42.848   4.5289  1282.71   69.133  1282.71   69.133 -0.000000 0.000000 
1 1 1   19    9    2 o  602.555   54.694   9.3849   1.6944   0.0000   0.0000   9.3849   1.6944  ?   ?   602.555   54.694      ?      ? 
1 1 1   19    9    4 o  1623.56   54.288   68.130   4.5315   0.0000   0.0000   68.130   4.5315  ?   ?   1623.56   54.288      ?      ? 
1 1 1   19    9    6 o  1635.82   40.532   68.490   3.0874   70.912   5.7965   67.530   3.6480  1653.74   68.175  1617.90   43.856 35.84229 81.06314 
1 1 1   19    9    8 o  227.993   43.570   1.3845   0.5150   1.4005   0.8199   1.3740   0.6619  229.851   65.947  226.135   56.960 3.716080 87.14079 
1 1 1   19    9   10 o  1085.39   34.735   30.381   1.8649   30.263   2.3363   30.590   3.0962  1083.16   41.953  1087.62   55.371 -4.455200 69.46969 
1 1 1   19    9   12 o  877.755   29.285   19.764   1.3176   18.445   1.7814   21.357   1.9579  845.638   40.973  909.871   41.853 -64.23267 58.57026 
1 1 1   19    9   14 o  1505.45   44.438   59.132   3.3768   60.895   4.4153   56.648   5.2412  1533.96   55.986  1476.94   69.024 57.02185 88.87507 
1 1 1   19    9   16 o  1187.42   42.810   36.103   2.5881   33.552   3.3882   39.677   4.0102  1138.10   57.906  1236.74   63.069 -98.64917 85.62053 
1 1 1   19    9   18 o  547.092   36.937   7.4665   0.9353   7.1277   1.0930   8.3927   1.8073  525.497   40.456  568.687   61.812 -43.18945 73.87478 
1 1 1   19    9   20 o  595.774   34.724   8.3186   0.9864   7.0515   1.1612   11.604   1.8697  522.405   43.235  669.142   54.348 -146.7368 69.44729 
1 1 1   19    9   22 o  1281.03   36.363   42.387   2.1995   42.168   2.6308   42.897   4.0088  1277.60   40.052  1284.47   60.704 -6.870239 72.72666 
1 1 1   19    9   24 o  497.587   33.663   6.0955   0.7466   5.7954   0.8534   7.0743   1.5412  473.742   35.038  521.431   57.490 -47.68881 67.32592 
1 1 1   19    9   26 o  1095.01   41.855   31.275   2.3522   28.766   3.2661   33.979   3.3903  1049.05   60.556  1140.98   57.796 -91.92542 83.71033 
1 1 1   19    9   28 o  450.532   34.295   5.2525   0.7944   5.2525   0.7944   0.0000   0.0000  450.532   34.295  ?   ?       ?      ? 
1 1 1   19    9   30 o  563.893   36.894   8.3370   0.9991   8.3605   1.2151   8.2879   1.7555  566.966   41.687  560.819   60.885 6.147644 73.78866 
1 1 1   19    9   32 o  634.029   34.232   10.248   0.9655   9.9758   1.1084   11.105   1.9651  619.909   34.779  648.149   58.973 -28.23993 68.46418 
1 1 1   19    9   34 o  164.137   36.374   0.7532   0.3308   0.8906   0.3722   0.2364   0.7218  181.154   40.928  147.119   60.142 34.03539 72.74752 
1 1 1   19    9   36 o  863.656   36.337   19.407   1.5318   18.644   1.8753   20.935   2.6554  842.408   43.299  884.905   58.367 -42.49640 72.67426 
1 1 1   19    9   38 o  584.287   35.636   8.9848   0.9234   8.8851   1.0635   9.2902   1.8613  582.812   35.492  585.762   61.805 -2.949951 71.27101 
1 1 1   19    9   40 o  541.351   43.025   7.7594   1.1975   7.7594   1.1975   0.0000   0.0000  541.351   43.025  ?   ?       ?      ? 
1 1 1   19    9   42 o  900.999   35.131   21.456   1.4077   21.106   1.6223   22.525   2.8320  896.012   35.216  905.986   60.799 -9.974060 70.26128 
1 1 1   19    9   44 o  571.970   34.694   8.4163   0.8853   8.0162   1.0148   9.6910   1.8112  551.177   35.811  592.764   59.432 -41.58740 69.38786 
1 1 1   19    9   46 o  638.466   45.274   11.577   1.4637   9.4231   2.0618   13.765   2.0782  572.574   70.040  704.358   57.387 -131.7833 90.54739 
1 1 1   19    9   48 o  352.299   35.226   2.9653   0.5605   2.5319   0.6368   4.4556   1.1809  306.780   40.373  397.819   57.737 -91.03851 70.45203 
1 1 1   19    9   50 o  125.492   41.274   0.4172   0.3083   0.4172   0.3083   0.0000   0.0000  125.492   41.274  ?   ?       ?      ? 
1 1 1   19    9   52 o  319.584   42.718   3.3720   0.5792   3.7102   0.6734   2.4096   1.1360  370.485   35.352  268.682   77.778 101.8032 85.43519 
1 1 1   19   10    1 o  1225.97   56.067   38.862   3.5339   0.0000   0.0000   38.862   3.5339  ?   ?   1225.97   56.067      ?      ? 
1 1 1   19   10    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10    7 f  610.814   47.707   9.6323   1.4982   9.6323   1.4982   0.0000   0.0000  610.814   47.707  ?   ?       ?      ? 
1 1 1   19   10    9 o  1180.96   43.505   35.984   2.6415   35.984   2.6415   0.0000   0.0000  1180.96   43.505  ?   ?       ?      ? 
1 1 1   19   10   11 o  668.235   40.199   11.340   1.1999   11.128   1.3820   11.990   2.4181  656.822   40.925  679.648   69.204 -22.82538 80.39868 
1 1 1   19   10   13 o  1615.05   40.009   68.058   2.8636   68.604   3.3073   66.422   5.7241  1630.92   39.443  1599.18   69.621 31.73730 80.01733 
1 1 1   19   10   15 o  310.665   47.940   2.6761   0.7464   3.1369   0.9635   1.9845   1.1804  348.186   53.826  273.144   79.345 75.04214 95.87948 
1 1 1   19   10   17 o  878.422   34.552   18.582   1.2670   17.688   1.4090   22.360   2.8961  828.387   33.084  928.456   60.671 -100.0690 69.10480 
1 1 1   19   10   19 o  2305.39   35.433  136.815   3.4130  136.297   3.8346  138.792   7.4874  2299.40   32.437  2311.38   63.007 -11.98755 70.86647 
1 1 1   19   10   21 o  1186.34   35.168   36.580   1.7642   36.678   1.9942   36.223   3.7838  1192.58   32.524  1180.10   62.365 12.47803 70.33634 
1 1 1   19   10   23 o  398.899   39.565   4.4259   0.6363   4.6106   0.7239   3.7989   1.3338  422.694   33.312  375.105   71.777 47.58865 79.13065 
1 1 1   19   10   25 o  210.529   46.329   1.1453   0.5529   1.0437   0.7430   1.2712   0.8276  201.307   63.905  219.751   67.095 -18.44426 92.65871 
1 1 1   19   10   27 o  456.137   34.837   5.3830   0.8170   5.3830   0.8170   0.0000   0.0000  456.137   34.837  ?   ?       ?      ? 
1 1 1   19   10   29 o  237.806   41.252   1.4557   0.4674   1.3209   0.5558   1.7811   0.8636  220.643   50.132  254.968   65.527 -34.32573 82.50465 
1 1 1   19   10   31 o  172.350   39.410   0.7861   0.3851   0.9030   0.4481   0.4560   0.7532  182.484   47.349  162.217   63.013 20.26779 78.82030 
1 1 1   19   10   33 o  399.372   34.002   3.7171   0.6089   3.2902   0.6910   5.2008   1.2882  355.425   37.816  443.319   56.520 -87.89386 68.00416 
1 1 1   19   10   35 o  843.580   33.957   18.314   1.2796   17.869   1.4736   19.678   2.5804  828.285   34.604  858.876   58.437 -30.59039 67.91376 
1 1 1   19   10   37 o  143.594   35.040   0.5157   0.2846   0.5791   0.3175   0.2565   0.6419  146.325   40.716  140.863   57.040 5.461731 70.08090 
1 1 1   19   10   39 o  408.766   35.760   4.3799   0.7515   4.3799   0.7515   0.0000   0.0000  408.766   35.760  ?   ?       ?      ? 
1 1 1   19   10   41 o  317.831   42.846   3.0274   0.6267   3.4153   0.7647   2.2338   1.0936  359.138   41.413  276.524   75.020 82.61438 85.69113 
1 1 1   19   10   43 o  403.415   37.017   4.4242   0.6559   4.4419   0.7558   4.3700   1.3202  410.547   35.807  396.283   64.798 14.26416 74.03373 
1 1 1   19   10   45 o  342.651   38.354   3.0741   0.5621   2.9061   0.6405   3.6374   1.1729  330.964   37.642  354.339   66.836 -23.37524 76.70711 
1 1 1   19   10   47 o  203.723   38.887   1.1448   0.3766   1.1067   0.4335   1.2619   0.7601  198.978   43.586  208.467   64.414 -9.488220 77.77434 
1 1 1   19   10   49 o  159.520   48.378   0.7141   0.4313   0.7141   0.4313   0.0000   0.0000  159.520   48.378  ?   ?       ?      ? 
1 1 1   19   10   51 o  331.925   37.456   2.9175   0.5520   2.6437   0.6367   3.7469   1.1080  311.430   39.763  352.420   63.487 -40.99036 74.91141 
1 1 1   19   11    0 o  519.802   45.333   7.1158   1.1903   0.0000   0.0000   7.1158   1.1903  519.802   45.333  519.802   45.333 -0.000000 0.000000 
1 1 1   19   11    2 o  565.987   40.268   7.9557   1.0565   7.5555   1.2347   9.0497   2.0414  541.141   44.380  590.832   67.204 -49.69104 80.53540 
1 1 1   19   11    4 o  1176.87   42.818   35.727   2.5908   35.727   2.5908   0.0000   0.0000  1176.87   42.818  ?   ?       ?      ? 
1 1 1   19   11    6 o  708.237   42.796   12.940   1.5583   12.940   1.5583   0.0000   0.0000  708.237   42.796  ?   ?       ?      ? 
1 1 1   19   11    8 o  2030.26   39.376  103.954   3.2682  102.282   3.6339  111.033   7.4763  1992.25   35.478  2068.28   70.309 -76.03418 78.75254 
1 1 1   19   11   10 o  475.095   37.946   5.4934   0.7225   5.3026   0.7951   6.3976   1.7310  453.639   34.091  496.551   67.805 -42.91202 75.89268 
1 1 1   19   11   12 o  673.361   40.326   12.169   1.0475   12.406   1.1557   11.083   2.4790  693.907   32.395  652.814   73.861 41.09326 80.65289 
1 1 1   19   11   14 o  1723.82   37.943   76.691   2.5939   76.581   2.8677   77.186   6.0831  1723.97   32.355  1723.68   68.644 0.2896729 75.88676 
1 1 1   19   11   16 o  2229.63   37.259  128.533   3.3388  128.458   3.7065  128.857   7.6883  2232.59   32.292  2226.68   67.159 5.906250 74.51892 
1 1 1   19   11   18 o  1453.95   35.273   52.788   2.1316   51.511   2.3790   57.989   4.8011  1413.58   32.734  1494.33   62.492 -80.74194 70.54655 
1 1 1   19   11   20 o  1294.04   36.520   41.883   2.2058   39.935   2.5921   46.997   4.2000  1243.35   40.550  1344.72   60.750 -101.3690 73.04033 
1 1 1   19   11   22 o  599.488   34.266   8.8986   0.8824   8.5809   0.9947   10.072   1.9119  576.687   33.548  622.290   59.758 -45.60272 68.53130 
1 1 1   19   11   24 o  418.863   41.609   4.7328   0.7730   4.8576   0.9135   4.4183   1.4506  433.211   41.014  404.515   72.408 28.69604 83.21724 
1 1 1   19   11   26 o  828.172   40.838   17.779   1.7388   17.779   1.7388   0.0000   0.0000  828.172   40.838  ?   ?       ?      ? 
1 1 1   19   11   28 o  228.553   37.677   1.2285   0.3752   1.0699   0.4226   1.8181   0.8150  199.203   42.557  257.903   62.187 -58.69949 75.35463 
1 1 1   19   11   30 o  376.616   41.255   3.9080   0.7064   4.0992   0.8539   3.4937   1.2573  396.814   41.857  356.419   71.104 40.39453 82.50964 
1 1 1   19   11   32 o  822.657   32.861   16.659   1.2186   15.605   1.3980   19.995   2.4867  774.984   35.086  870.330   55.573 -95.34601 65.72197 
1 1 1   19   11   34 o  941.083   34.562   23.044   1.4314   22.773   1.6412   23.902   2.9256  935.565   34.121  946.601   60.115 -11.03595 69.12379 
1 1 1   19   11   36 o  220.139   42.606   1.4038   0.4725   1.5398   0.5506   1.0234   0.9207  237.682   46.722  202.597   71.260 35.08478 85.21108 
1 1 1   19   11   38 o  126.329   44.996   0.3684   0.3682   0.3684   0.3682   0.0000   0.0000  126.329   44.996  ?   ?       ?      ? 
1 1 1   19   11   40 o  532.333   37.633   7.6820   0.9698   7.7928   1.1941   7.4672   1.6623  542.279   42.831  522.386   61.892 19.89331 75.26685 
1 1 1   19   11   42 o  541.636   36.965   8.1349   0.8723   8.3452   1.0074   7.5049   1.7438  563.387   34.779  519.886   65.239 43.50159 73.93037 
1 1 1   19   11   44 o  341.803   34.552   2.8198   0.5333   2.4935   0.6077   3.9113   1.1116  306.599   38.555  377.007   57.349 -70.40738 69.10461 
1 1 1   19   11   46 o  339.231   41.553   3.1941   0.6628   3.0774   0.8050   3.4397   1.1680  336.976   46.468  341.486   68.901 -4.509338 83.10566 
1 1 1   19   11   48 o  311.559   41.797   2.6410   0.6136   2.3737   0.7356   3.2520   1.1123  293.671   48.718  329.447   67.930 -35.77667 83.59373 
1 1 1   19   11   50 o  250.403   44.073   1.8511   0.5385   1.7679   0.6534   2.0271   0.9505  246.317   53.155  254.489   70.315 -8.171310 88.14564 
1 1 1   19   11   52 o  136.743   29.859   0.2852   0.2412   0.0000   0.2825   1.0520   0.4632   83.728   36.098  189.757   47.571 -106.0288 59.71718 
1 1 1   19   12    1 o  275.122   37.713   1.9510   0.5334   1.9510   0.5334   0.0000   0.0000  275.122   37.713  ?   ?       ?      ? 
1 1 1   19   12    3 o  1465.20   40.375   54.437   2.7305   53.097   3.1997   58.026   5.2376  1434.61   43.381  1495.79   68.106 -61.17578 80.74905 
1 1 1   19   12    5 o  1155.41   41.850   34.610   2.1852   34.676   2.5453   34.424   4.2615  1159.39   42.702  1151.43   71.987 7.962524 83.69963 
1 1 1   19   12    7 o  1723.69   40.533   76.322   2.8775   75.953   3.2160   77.802   6.4435  1716.65   36.439  1730.72   72.414 -14.06873 81.06577 
1 1 1   19   12    9 o  1049.87   41.804   28.358   1.9635   28.174   2.2701   28.905   3.9122  1044.97   42.254  1054.77   72.144 -9.790894 83.60715 
1 1 1   19   12   11 o  1831.89   37.752   83.689   2.7426   81.986   3.0183   91.756   6.5682  1783.80   32.911  1879.99   67.955 -96.19385 75.50496 
1 1 1   19   12   13 o  908.189   36.772   20.113   1.3393   19.432   1.4744   23.327   3.2027  868.369   33.025  948.008   65.711 -79.63959 73.54314 
1 1 1   19   12   15 o  1513.61   38.973   58.076   2.6689   56.738   3.0921   61.984   5.2854  1482.69   40.563  1544.52   66.560 -61.82837 77.94587 
1 1 1   19   12   17 f  1202.46   37.095   37.073   1.7995   36.853   1.9974   38.020   4.1464  1195.71   32.492  1209.21   66.696 -13.50049 74.18987 
1 1 1   19   12   19 o  321.730   43.223   2.9966   0.5338   3.1455   0.5913   2.3413   1.2404  349.251   32.932  294.209   79.927 55.04245 86.44601 
1 1 1   19   12   21 o  670.717   37.943   12.130   1.0346   12.444   1.1610   10.917   2.2802  694.599   32.512  646.834   68.568 47.76508 75.88501 
1 1 1   19   12   23 f  239.790   40.408   1.3641   0.4472   1.1240   0.5187   2.0592   0.8826  204.099   49.857  275.481   63.604 -71.38217 80.81599 
1 1 1   19   12   25 o  1359.13   32.916   47.733   2.3000   47.733   2.3000   0.0000   0.0000  1359.13   32.916  ?   ?       ?      ? 
1 1 1   19   12   27 o  1210.14   34.049   37.119   1.7946   36.236   2.0409   40.130   3.7686  1183.41   33.544  1236.87   59.263 -53.46204 68.09785 
1 1 1   19   12   29 o  435.835   35.185   4.8314   0.6692   4.7144   0.7617   5.2271   1.4007  426.471   34.740  445.198   61.197 -18.72791 70.37002 
1 1 1   19   12   31 o  231.184   38.785   1.6864   0.4771   2.1957   0.5695   0.4868   0.8739  290.521   38.127  171.846   67.554 118.6745 77.57066 
1 1 1   19   12   33 o  621.370   39.046   11.083   1.0117   11.844   1.1615   8.6919   2.0593  675.059   33.466  567.682   70.558 107.3770 78.09256 
1 1 1   19   12   35 o  186.377   38.959   0.9497   0.3607   0.9987   0.4070   0.7701   0.7785  191.472   42.455  181.282   65.337 10.18977 77.91859 
1 1 1   19   12   37 o  379.051   43.458   3.7906   0.8469   3.7906   0.8469   0.0000   0.0000  379.051   43.458  ?   ?       ?      ? 
1 1 1   19   12   39 o  268.785   41.595   2.2953   0.4893   2.5586   0.5553   1.3813   1.0348  312.488   34.567  225.083   75.669 87.40521 83.19091 
1 1 1   19   12   41 o  462.290   43.411   6.2945   0.9004   7.0213   1.1083   4.8836   1.5443  514.488   41.900  410.093   76.043 104.3948 86.82286 
1 1 1   19   12   43 o  370.486   32.251   2.8372   0.5382   1.9463   0.6101   5.9644   1.1430  269.884   43.967  471.087   47.194 -201.2022 64.50157 
1 1 1   19   12   45 o  475.811   33.789   5.6913   0.7327   5.2178   0.8437   7.1431   1.4774  443.390   37.012  508.231   56.540 -64.84085 67.57743 
1 1 1   19   12   47 o  313.329   42.809   2.9392   0.5727   3.0536   0.6586   2.5845   1.1593  337.923   37.910  288.736   76.768 49.18643 85.61826 
1 1 1   19   12   49 f  553.143   37.041   8.2247   1.0534   8.2247   1.0534   0.0000   0.0000  553.143   37.041  ?   ?       ?      ? 
1 1 1   19   12   51 o  272.679   41.655   2.2636   0.5055   2.3211   0.5822   2.0875   1.0185  291.811   38.808  253.547   73.720 38.26385 83.31069 
1 1 1   19   13    0 o  546.761   78.376   8.1856   2.0719   0.0000   0.0000   8.1856   2.0719  546.761   78.376  546.761   78.376 -0.000000 0.000000 
1 1 1   19   13    2 o  1335.01   42.779   47.501   2.5555   49.013   2.9849   43.349   4.9452  1378.43   42.119  1291.60   74.471 86.82861 85.55727 
1 1 1   19   13    4 o  1515.86   42.807   59.283   3.3362   59.283   3.3362   0.0000   0.0000  1515.86   42.807  ?   ?       ?      ? 
1 1 1   19   13    6 o  1572.97   42.721   65.271   2.9955   66.541   3.4802   61.641   5.8842  1606.00   42.149  1539.95   74.321 66.05542 85.44123 
1 1 1   19   13    8 o  1446.82   40.188   53.749   2.3193   53.502   2.5665   54.850   5.4170  1440.85   34.646  1452.78   72.525 -11.92236 80.37525 
1 1 1   19   13   10 o  158.874   37.390   0.6423   0.3299   0.7381   0.3688   0.2589   0.7377  166.020   42.898  151.727   61.251 14.29262 74.77951 
1 1 1   19   13   12 o  1079.21   37.365   28.705   1.6117   27.910   1.7748   32.442   3.8482  1040.68   33.172  1117.73   66.965 -77.05652 74.73063 
1 1 1   19   13   14 o  962.773   38.594   23.826   1.4617   23.730   1.6114   24.273   3.4733  959.557   32.663  965.990   69.937 -6.433105 77.18802 
1 1 1   19   13   16 o  402.701   48.895   5.2524   0.6998   5.7554   0.7740   2.9979   1.6387  472.552   31.857  332.850   92.454 139.7014 97.78917 
1 1 1   19   13   18 o  573.095   40.885   9.0643   0.9027   9.3711   0.9999   7.7126   2.0989  602.867   32.260  543.323   75.137 59.54462 81.76991 
1 1 1   19   13   20 o  252.119   41.927   1.9381   0.5055   2.2586   0.5836   0.9749   1.0117  295.725   38.385  208.513   74.551 87.21210 83.85313 
1 1 1   19   13   22 o  323.778   40.249   2.6216   0.5914   2.4286   0.6914   3.1479   1.1419  306.258   43.911  341.298   67.466 -35.04019 80.49741 
1 1 1   19   13   24 o  317.918   33.946   2.6120   0.5548   2.6120   0.5548   0.0000   0.0000  317.918   33.946  ?   ?       ?      ? 
1 1 1   19   13   26 o  567.193   38.990   8.6908   1.0279   9.1189   1.2348   7.7247   1.8551  592.884   40.510  541.502   66.633 51.38196 77.98067 
1 1 1   19   13   28 o  441.279   37.882   5.2451   0.7006   5.3583   0.7939   4.8465   1.4895  454.819   33.951  427.739   67.730 27.08051 75.76314 
1 1 1   19   13   30 f  646.656   39.361   11.451   1.1814   12.140   1.4235   9.9263   2.1179  682.787   40.551  610.525   67.474 72.26233 78.72202 
1 1 1   19   13   32 o  554.280   39.468   8.8464   0.9085   9.4735   1.0422   6.8625   1.8538  603.868   33.570  504.691   71.442 99.17697 78.93650 
1 1 1   19   13   34 o  785.826   37.397   17.186   1.2467   17.913   1.4290   14.866   2.5513  829.570   33.505  742.082   66.870 87.48816 74.79433 
1 1 1   19   13   36 o  417.700   44.917   4.7062   0.9627   4.3854   1.3142   5.0775   1.4141  402.405   63.523  432.995   63.521 -30.58978 89.83347 
1 1 1   19   13   38 o  548.656   38.635   8.5811   0.8921   9.0210   1.0233   7.1879   1.8211  587.198   33.896  510.115   69.438 77.08301 77.26923 
1 1 1   19   13   40 o  568.081   39.666   9.0962   1.0668   9.7995   1.3143   7.7378   1.8265  608.072   42.042  528.090   67.275 79.98242 79.33125 
1 1 1   19   13   42 o  304.664   38.970   2.5151   0.5150   2.4623   0.5929   2.6774   1.0394  305.253   37.779  304.075   68.171 1.177765 77.93951 
1 1 1   19   13   44 o  185.151   38.015   0.9539   0.3615   0.9660   0.4277   0.9239   0.6763  186.082   45.164  184.220   61.162 1.861679 76.03018 
1 1 1   19   13   46 o  137.268   35.291   0.4008   0.3153   0.2639   0.3951   0.6409   0.5232  118.020   45.695  156.516   53.794 -38.49570 70.58180 
1 1 1   19   13   48 o  259.024   39.508   1.8091   0.5261   1.8091   0.5261   0.0000   0.0000  259.024   39.508  ?   ?       ?      ? 
1 1 1   19   13   50 o  150.795   37.937   0.5660   0.3401   0.5189   0.3987   0.6918   0.6516  139.102   46.971  162.488   59.588 -23.38545 75.87485 
1 1 1   19   13   52 o  110.325   32.010   0.1384   0.2363   0.0863   0.2627   0.3589   0.5407   87.692   36.116  132.958   52.860 -45.26595 64.01936 
1 1 1   19   14    1 o  1080.93   50.635   30.346   2.8139   30.392   3.9686   30.298   3.9904  1081.80   71.355  1080.05   71.863 1.756714 101.2707 
1 1 1   19   14    3 o  1047.44   41.678   28.501   1.9777   28.613   2.3079   28.192   3.8367  1053.07   42.628  1041.81   71.631 11.26184 83.35588 
1 1 1   19   14    5 o  2070.52   43.000  114.023   3.9641  117.215   4.6137  105.022   7.7478  2131.46   42.102  2009.59   74.990 121.8636 86.00024 
1 1 1   19   14    7 o  951.707   43.568   23.935   1.8265   24.394   2.1097   22.561   3.6494  972.309   42.203  931.106   76.235 41.20343 87.13675 
1 1 1   19   14    9 o  806.714   42.889   17.099   1.5061   17.314   1.7272   16.418   3.0764  819.182   41.011  794.246   75.339 24.93616 85.77776 
1 1 1   19   14   11 o  1198.08   38.263   35.715   1.8131   34.940   1.9934   39.428   4.3635  1164.37   33.299  1231.78   68.902 -67.41138 76.52611 
1 1 1   19   14   13 o  1694.78   41.157   78.424   2.6741   80.602   2.9530   68.499   6.3039  1768.45   32.479  1621.10   75.636 147.3552 82.31429 
1 1 1   19   14   15 o  414.654   43.509   4.4277   0.7718   4.3330   0.8837   4.7321   1.5843  409.629   41.961  419.679   76.232 -10.04926 87.01762 
1 1 1   19   14   17 o  293.707   43.719   2.3963   0.4932   2.4585   0.5392   2.0780   1.2196  308.742   33.970  278.672   80.569 30.07001 87.43767 
1 1 1   19   14   19 o  1732.20   37.743   78.725   2.6304   79.290   2.9272   76.355   5.9945  1753.37   32.473  1711.03   68.143 42.33875 75.48502 
1 1 1   19   14   21 o  690.666   38.124   12.039   1.2089   11.626   1.4092   13.189   2.3523  670.440   40.884  710.892   64.360 -40.45166 76.24747 
1 1 1   19   14   23 o  606.615   33.102   9.5058   1.0324   9.5058   1.0324   0.0000   0.0000  606.615   33.102  ?   ?       ?      ? 
1 1 1   19   14   25 o  1387.46   36.851   51.989   2.1367   53.375   2.4214   47.112   4.5413  1436.80   32.780  1338.12   66.010 98.67395 73.70130 
1 1 1   19   14   27 o  490.780   34.692   5.8835   0.7366   5.5673   0.8300   7.0561   1.5982  463.578   34.824  517.982   60.012 -54.40445 69.38416 
1 1 1   19   14   29 o  752.740   40.490   15.912   1.3859   17.363   1.6653   12.646   2.4994  816.991   39.647  688.489   70.611 128.5021 80.98005 
1 1 1   19   14   31 o  487.100   39.951   6.4022   0.9067   6.5958   1.0858   5.9564   1.6479  502.555   42.025  471.645   67.957 30.91037 79.90166 
1 1 1   19   14   33 o  648.968   35.974   11.119   1.0105   11.114   1.1536   11.136   2.0951  653.410   34.340  644.526   63.225 8.884033 71.94868 
1 1 1   19   14   35 o  711.988   39.674   14.144   1.3217   15.202   1.6108   11.963   2.3124  760.866   41.177  663.110   67.828 97.75580 79.34876 
1 1 1   19   14   37 o  343.397   43.326   3.1157   0.7649   3.1157   0.7649   0.0000   0.0000  343.397   43.326  ?   ?       ?      ? 
1 1 1   19   14   39 o  641.697   39.605   11.736   1.0613   12.247   1.2116   10.052   2.1998  683.375   34.486  600.020   71.310 83.35443 79.21066 
1 1 1   19   14   41 o  138.430   38.485   0.2672   0.3300   0.1890   0.3673   0.5945   0.7515  110.253   43.651  166.606   63.396 -56.35307 76.97090 
1 1 1   19   14   43 o  534.482   35.626   7.3277   0.8513   6.9216   0.9755   8.6256   1.7437  511.405   37.100  557.559   60.830 -46.15442 71.25124 
1 1 1   19   14   45 o  195.451   38.277   1.1017   0.3700   1.1501   0.4279   0.9585   0.7365  203.601   42.260  187.301   63.833 16.29951 76.55439 
1 1 1   19   14   47 o  192.018   50.728   1.0561   0.5083   1.0561   0.5083   0.0000   0.0000  192.018   50.728  ?   ?       ?      ? 
1 1 1   19   14   49 o  430.147   43.442   5.4961   0.8629   5.6699   1.0575   5.1497   1.4927  453.516   45.354  406.779   74.107 46.73633 86.88376 
1 1 1   19   14   51 o  255.196   45.046   1.9787   0.5509   1.9141   0.6534   2.1378   1.0249  255.410   51.534  254.983   73.896 0.4268494 90.09129 
1 1 1   19   15    0 o  1172.75   73.027   35.958   4.3640   35.958   4.3640   0.0000   0.0000  1172.75   73.027  1172.75   73.027 0.000000 0.000000 
1 1 1   19   15    2 o  858.699   40.779   17.557   1.6946   14.904   2.0232   23.794   3.1020  759.299   51.826  958.099   62.974 -198.8000 81.55758 
1 1 1   19   15    4 o  2231.63   42.689  128.518   4.8979  128.518   4.8979   0.0000   0.0000  2231.63   42.689  ?   ?       ?      ? 
1 1 1   19   15    6 o  512.070   42.740   6.8174   0.9814   6.8424   1.1389   6.7453   1.9339  514.892   43.025  509.248   73.864 5.644104 85.48093 
1 1 1   19   15    8 o  993.328   39.215   24.589   1.5234   24.097   1.6703   27.027   3.7152  966.971   33.598  1019.69   70.868 -52.71552 78.42906 
1 1 1   19   15   10 o  750.586   37.892   12.916   1.3043   11.184   1.4951   18.433   2.6686  658.099   44.189  843.073   61.568 -184.9738 75.78410 
1 1 1   19   15   12 o  739.244   40.828   14.404   1.1586   14.530   1.2731   13.799   2.7946  750.802   32.982  727.686   74.699 23.11609 81.65608 
1 1 1   19   15   14 o  2136.10   38.873  118.238   3.2727  118.251   3.6135  118.175   7.7198  2141.79   32.816  2130.41   70.481 11.38037 77.74648 
1 1 1   19   15   16 o  367.005   50.399   4.3739   0.7732   5.0747   0.8885   2.1861   1.5699  443.341   38.979  290.669   92.956 152.6717 100.7977 
1 1 1   19   15   18 o  2087.93   38.097  113.933   3.1801  114.448   3.5298  111.714   7.3273  2106.51   32.593  2069.35   68.872 37.16064 76.19427 
1 1 1   19   15   20 f  745.254   43.757   14.090   1.6540   11.960   2.1427   17.231   2.6018  677.466   61.518  813.042   62.243 -135.5762 87.51382 
1 1 1   19   15   22 o  906.130   32.937   21.207   1.5344   21.207   1.5344   0.0000   0.0000  906.130   32.937  ?   ?       ?      ? 
1 1 1   19   15   24 o  145.726   34.530   0.5386   0.3177   0.7330   0.3707   0.0000   0.6169  165.059   43.186  126.394   53.891 38.66502 69.05985 
1 1 1   19   15   26 o  843.140   36.908   17.827   1.4723   16.739   1.7431   20.534   2.7503  802.521   42.247  883.758   60.532 -81.23737 73.81670 
1 1 1   19   15   28 o  948.718   35.083   23.073   1.4314   22.682   1.6220   24.448   3.0431  935.447   33.726  961.990   61.528 -26.54248 70.16560 
1 1 1   19   15   30 o  386.571   43.565   4.2668   0.7430   4.6041   0.8886   3.4834   1.3543  420.136   41.139  353.007   76.806 67.12888 87.12994 
1 1 1   19   15   32 o  333.697   33.968   2.1604   0.4831   1.5358   0.5361   4.8606   1.1145  238.155   45.439  429.239   50.504 -191.0841 67.93597 
1 1 1   19   15   34 o  269.164   43.169   2.0940   0.5533   2.2744   0.6580   1.6585   1.0222  294.085   43.517  244.243   74.570 49.84149 86.33894 
1 1 1   19   15   36 o  500.392   42.879   6.6054   1.1031   6.6054   1.1031   0.0000   0.0000  500.392   42.879  ?   ?       ?      ? 
1 1 1   19   15   38 o  709.396   34.247   12.249   1.0779   11.202   1.2227   15.902   2.2838  653.082   36.415  765.711   58.013 -112.6282 68.49488 
1 1 1   19   15   40 o  204.871   42.801   1.1556   0.4582   1.1390   0.5503   1.1933   0.8274  201.745   52.539  207.998   67.583 -6.253860 85.60279 
1 1 1   19   15   42 o  403.751   42.601   4.6734   0.6988   4.7795   0.7957   4.3158   1.4612  425.434   36.378  382.068   77.047 43.36691 85.20293 
1 1 1   19   15   44 o  213.451   43.052   1.2691   0.4257   1.2676   0.4721   1.2760   0.9839  213.515   44.456  213.387   73.741 0.1273193 86.10449 
1 1 1   19   15   46 o  174.172   42.932   0.7986   0.4758   0.6232   0.6576   0.9912   0.6891  160.772   59.700  187.573   61.713 -26.80098 85.86358 
1 1 1   19   15   48 o  106.529   31.861   0.0895   0.2837   0.1281   0.3393   0.0000   0.5171  101.101   41.271  111.956   48.552 -10.85514 63.72260 
1 1 1   19   15   50 o  201.165   45.956   1.2374   0.5462   1.3891   0.7451   1.0612   0.8030  212.596   63.387  189.732   66.558 22.86397 91.91261 
1 1 1   19   16    1 o  1520.59   50.713   60.097   3.9645   59.603   5.5773   60.602   5.6365  1514.29   71.638  1526.90   71.801 -12.60510 101.4263 
1 1 1   19   16    3 o  436.109   41.115   4.5030   0.8594   3.8505   1.0168   6.1341   1.6078  385.920   51.249  486.298   64.305 -100.3778 82.22923 
1 1 1   19   16    5 o  1398.67   42.128   50.566   2.6508   50.439   3.0768   50.932   5.2213  1397.92   42.810  1399.43   72.570 -1.508057 84.25601 
1 1 1   19   16    7 o  1718.46   49.641   76.520   4.3745   73.527   5.9350   80.081   6.4728  1682.20   68.623  1754.71   71.749 -72.50952 99.28248 
1 1 1   19   16    9 o  1948.39   40.974   95.146   3.5830   91.935   4.1235  105.044   7.2394  1887.06   42.502  2009.71   70.065 -122.6559 81.94804 
1 1 1   19   16   11 o  851.139   43.572   20.193   1.3819   20.901   1.5190   16.794   3.3279  900.500   32.811  801.778   80.732 98.72205 87.14494 
1 1 1   19   16   13 o  1411.37   38.639   50.245   2.1528   49.501   2.3694   53.767   5.1538  1385.66   33.259  1437.07   69.755 -51.41516 77.27840 
1 1 1   19   16   15 o  2195.80   40.593  124.645   3.9700  124.156   4.5832  126.113   7.9451  2192.41   40.661  2199.18   70.270 -6.771484 81.18602 
1 1 1   19   16   17 o  1274.46   40.676   44.162   2.0021   45.268   2.2136   39.190   4.6935  1324.82   32.499  1224.10   74.578 100.7159 81.35177 
1 1 1   19   16   19 o  402.519   40.870   4.1899   0.8458   4.1899   0.8458   0.0000   0.0000  402.519   40.870  ?   ?       ?      ? 
1 1 1   19   16   21 o  938.892   32.905   22.766   1.5884   22.766   1.5884   0.0000   0.0000  938.892   32.905  ?   ?       ?      ? 
1 1 1   19   16   23 o  1282.98   37.205   43.148   1.9636   43.308   2.1995   42.518   4.3585  1294.34   33.053  1271.62   66.666 22.72095 74.41029 
1 1 1   19   16   25 o  944.364   36.380   22.529   1.4286   22.009   1.5958   24.625   3.2057  922.132   33.660  966.596   64.507 -44.46423 72.76087 
1 1 1   19   16   27 f  280.316   40.380   2.2170   0.4686   2.3024   0.5273   1.8962   1.0225  298.018   34.412  262.615   73.061 35.40323 80.75980 
1 1 1   19   16   29 o  500.806   35.235   6.3027   0.7713   6.0639   0.8762   7.1253   1.6261  483.170   35.272  518.442   61.007 -35.27213 70.47014 
1 1 1   19   16   31 o  675.737   42.630   13.221   1.2870   14.750   1.5462   9.7727   2.3221  751.546   40.017  599.929   75.285 151.6170 85.25920 
1 1 1   19   16   33 o  837.620   41.807   20.247   1.5902   22.636   1.9297   15.191   2.8070  929.559   40.378  745.681   73.218 183.8786 83.61411 
1 1 1   19   16   35 o  985.639   34.334   25.377   1.7399   25.377   1.7399   0.0000   0.0000  985.639   34.334  ?   ?       ?      ? 
1 1 1   19   16   37 o  624.199   39.190   10.457   1.1594   10.384   1.3936   10.620   2.0900  626.349   43.275  622.050   65.350 4.298340 78.37943 
1 1 1   19   16   39 o  192.275   37.613   1.1351   0.3899   1.3529   0.4378   0.3005   0.8570  226.576   37.583  157.975   65.166 68.60170 75.22639 
1 1 1   19   16   41 o  530.046   37.409   7.2553   0.8699   6.9282   0.9899   8.3640   1.8226  512.005   37.605  548.087   64.681 -36.08179 74.81836 
1 1 1   19   16   43 o  261.717   42.702   2.2447   0.4940   2.4855   0.5522   1.2787   1.1058  306.696   35.017  216.738   77.895 89.95789 85.40430 
1 1 1   19   16   45 o  122.524   35.434   0.1801   0.3036   0.1371   0.3443   0.3303   0.6437  102.926   41.740  142.122   57.271 -39.19584 70.86736 
1 1 1   19   16   47 o  144.403   39.562   0.3743   0.3529   0.2941   0.3960   0.6833   0.7775  119.913   45.926  168.893   64.432 -48.98045 79.12473 
1 1 1   19   16   49 o  117.470   33.698   0.2234   0.3076   0.3157   0.3657   0.0000   0.5691  118.643   44.426  116.297   50.681 2.346375 67.39619 
1 1 1   19   16   51 o  298.836   44.271   3.3730   0.6192   4.0391   0.7191   1.4640   1.2174  384.997   36.331  212.675   80.744 172.3220 88.54162 
1 1 1   19   17    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17    2 o  1432.08   50.020   53.019   3.6828   53.019   3.6828   0.0000   0.0000  1432.08   50.020  ?   ?       ?      ? 
1 1 1   19   17    4 o  1140.35   45.498   33.588   2.6674   33.588   2.6674   0.0000   0.0000  1140.35   45.498  ?   ?       ?      ? 
1 1 1   19   17    6 o  2278.19   42.761  133.997   5.0085  133.997   5.0085   0.0000   0.0000  2278.19   42.761  ?   ?       ?      ? 
1 1 1   19   17    8 o  621.783   41.740   10.156   0.9926   10.224   1.0892   9.8227   2.4110  629.788   33.639  613.778   76.403 16.00922 83.48045 
1 1 1   19   17   10 o  1323.19   40.433   45.229   2.0718   45.150   2.2756   45.612   5.0078  1323.40   33.446  1322.97   73.625 0.4249268 80.86536 
1 1 1   19   17   12 o  2430.41   39.618  151.995   3.7606  151.389   4.1377  154.875   9.0158  2423.17   33.213  2437.64   71.939 -14.47095 79.23579 
1 1 1   19   17   14 o  932.570   38.543   21.633   1.4194   21.138   1.5595   24.021   3.4258  905.307   33.506  959.834   69.423 -54.52612 77.08539 
1 1 1   19   17   16 o  182.684   43.750   0.7009   0.4708   0.4729   0.5727   1.1763   0.8270  151.664   55.827  213.705   67.375 -62.04111 87.49918 
1 1 1   19   17   18 o  1491.56   39.912   57.519   3.0606   57.519   3.0606   0.0000   0.0000  1491.56   39.912  ?   ?       ?      ? 
1 1 1   19   17   20 o  423.156   44.245   4.7989   0.7915   4.8453   0.9093   4.6540   1.6082  432.606   40.884  413.706   78.480 18.90067 88.49079 
1 1 1   19   17   22 o  314.900   42.881   2.6882   0.5231   2.7130   0.5770   2.5735   1.2397  323.879   34.654  305.921   78.448 17.95813 85.76130 
1 1 1   19   17   24 o  199.279   40.235   0.9734   0.3466   0.9424   0.3775   1.1407   0.8759  187.021   40.434  211.537   69.573 -24.51584 80.46933 
1 1 1   19   17   26 o  613.193   39.449   9.8346   1.1146   9.7836   1.3119   9.9670   2.1132  613.233   41.611  613.152   67.034 0.8074951E-01 78.89861 
1 1 1   19   17   28 f  251.739   41.137   1.9615   0.4508   2.1644   0.5027   1.1286   1.0186  288.814   33.856  214.664   74.984 74.15065 82.27336 
1 1 1   19   17   30 o  247.816   43.583   1.6635   0.5005   1.6468   0.5783   1.7131   0.9991  246.542   47.346  249.091   73.185 -2.549515 87.16515 
1 1 1   19   17   32 o  681.695   33.894   11.279   1.0208   10.434   1.1571   14.248   2.1680  632.576   35.577  730.814   57.701 -98.23822 67.78770 
1 1 1   19   17   34 o  314.530   36.099   2.5871   0.5838   2.5871   0.5838   0.0000   0.0000  314.530   36.099  ?   ?       ?      ? 
1 1 1   19   17   36 o  341.225   45.565   3.4627   0.6992   3.7916   0.8362   2.6983   1.2747  378.730   42.944  303.721   80.378 75.00964 91.13062 
1 1 1   19   17   38 o  507.794   40.860   7.4991   0.8465   7.8944   0.9618   6.1407   1.7828  548.662   34.096  466.926   74.267 81.73669 81.72021 
1 1 1   19   17   40 o  260.422   42.469   1.5426   0.5266   0.9695   0.6134   3.1480   1.0267  187.433   57.858  333.412   62.183 -145.9794 84.93715 
1 1 1   19   17   42 o  354.392   40.372   3.1554   0.5961   2.8941   0.6678   4.1802   1.3224  329.987   39.365  378.797   70.499 -48.81009 80.74413 
1 1 1   19   17   44 o  610.947   40.332   10.422   1.1709   10.490   1.4181   10.276   2.0753  623.414   44.245  598.480   67.448 24.93317 80.66486 
1 1 1   19   17   46 o  291.794   52.936   2.4278   0.7649   2.4278   0.7649   0.0000   0.0000  291.794   52.936  ?   ?       ?      ? 
1 1 1   19   17   48 o  204.710   45.656   0.8991   0.4554   0.6109   0.5063   2.1205   1.0422  151.525   52.867  257.895   74.451 -106.3696 91.31221 
1 1 1   19   17   50 o  287.970   43.111   2.4767   0.5307   2.4541   0.6008   2.5572   1.1327  299.369   39.032  276.571   76.882 22.79797 86.22227 
1 1 1   19   18    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18    3 o  789.212   68.236   16.191   2.7687   16.191   2.7687   0.0000   0.0000  789.212   68.236  ?   ?       ?      ? 
1 1 1   19   18    5 o  3241.37   59.320  272.416   9.8855  272.416   9.8855   0.0000   0.0000  3241.37   59.320  ?   ?       ?      ? 
1 1 1   19   18    7 o  990.958   30.373   25.302   1.5474   25.302   1.5474   0.0000   0.0000  990.958   30.373  ?   ?       ?      ? 
1 1 1   19   18    9 o  317.482   45.035   2.6047   0.7351   2.6047   0.7351   0.0000   0.0000  317.482   45.035  ?   ?       ?      ? 
1 1 1   19   18   11 o  1245.21   33.404   39.982   2.1385   39.982   2.1385   0.0000   0.0000  1245.21   33.404  ?   ?       ?      ? 
1 1 1   19   18   13 o  1472.18   39.504   55.623   2.2721   55.294   2.4992   57.190   5.4559  1464.20   33.199  1480.16   71.695 -15.95618 79.00886 
1 1 1   19   18   15 o  1114.42   45.187   31.964   2.5298   30.653   3.2208   34.076   4.0873  1086.25   57.673  1142.58   69.579 -56.33374 90.37386 
1 1 1   19   18   17 o  924.650   33.069   22.066   1.5720   22.066   1.5720   0.0000   0.0000  924.650   33.069  ?   ?       ?      ? 
1 1 1   19   18   19 o  871.655   37.967   17.802   1.5059   15.832   1.7230   24.171   3.0985  781.703   42.873  961.607   62.674 -179.9039 75.93472 
1 1 1   19   18   21 o  1544.79   37.582   60.953   2.3402   60.187   2.5937   64.302   5.4265  1525.93   33.061  1563.65   67.501 -37.71851 75.16305 
1 1 1   19   18   23 o  1231.88   36.260   37.786   1.8433   36.607   2.0498   42.769   4.2134  1189.39   33.521  1274.37   64.308 -84.98364 72.51997 
1 1 1   19   18   25 o  581.934   35.633   8.1827   0.8696   7.7326   0.9679   10.068   1.9807  546.235   34.465  617.633   62.377 -71.39856 71.26504 
1 1 1   19   18   27 o  662.566   36.120   11.010   1.0113   10.641   1.1340   12.444   2.2356  640.346   34.445  684.787   63.500 -44.44165 72.24084 
1 1 1   19   18   29 f  697.323   40.197   13.559   1.1278   14.031   1.2664   11.750   2.4785  734.925   33.518  659.722   73.074 75.20294 80.39435 
1 1 1   19   18   31 o  501.837   35.914   6.2468   0.7728   5.9339   0.8688   7.4327   1.6916  477.168   35.414  526.506   62.491 -49.33853 71.82813 
1 1 1   19   18   33 o  559.976   42.998   8.2528   1.2379   8.2528   1.2379   0.0000   0.0000  559.976   42.998  ?   ?       ?      ? 
1 1 1   19   18   35 f  278.039   39.957   1.9533   0.4662   1.8310   0.5217   2.4381   1.0386  263.993   38.439  292.084   70.062 -28.09131 79.91371 
1 1 1   19   18   37 o  736.511   36.902   13.679   1.3211   11.987   1.5889   17.469   2.3779  670.932   46.063  802.089   57.664 -131.1571 73.80321 
1 1 1   19   18   39 o  428.451   33.930   4.0269   0.6532   3.2088   0.7370   7.0260   1.4110  347.803   41.215  509.098   53.909 -161.2950 67.85940 
1 1 1   19   18   41 o  289.599   42.317   1.7593   0.5552   1.1715   0.6259   3.9277   1.2022  203.387   57.372  375.812   62.221 -172.4246 84.63471 
1 1 1   19   18   43 o  413.413   43.932   4.7897   0.8273   4.6987   0.9863   5.0056   1.5195  416.871   46.019  409.954   74.849 6.916443 87.86427 
1 1 1   19   18   45 o  216.856   45.727   1.3229   0.4938   1.3229   0.4938   0.0000   0.0000  216.856   45.727  ?   ?       ?      ? 
1 1 1   19   18   47 o  339.286   46.918   3.9642   0.6645   4.4295   0.7616   2.4804   1.3600  406.056   36.481  272.516   86.454 133.5403 93.83598 
1 1 1   19   18   49 o  251.686   48.915   1.7065   0.5995   1.2762   0.6973   2.9251   1.1735  204.606   61.394  298.767   76.167 -94.16193 97.82912 
1 1 1   19   19    0 o  1795.58   72.644   83.829   6.6812   83.829   6.6812   0.0000   0.0000  1795.58   72.644  1795.58   72.644 0.000000 0.000000 
1 1 1   19   19    2 o  961.449   51.563   24.040   2.5439   22.031   3.5270   26.218   3.6726  919.359   74.619  1003.54   71.182 -84.17932 103.1253 
1 1 1   19   19    4 f  1539.41   49.116   61.478   3.8767   59.288   5.2565   64.090   5.7403  1509.90   67.713  1568.91   71.165 -59.01013 98.23215 
1 1 1   19   19    6 o  1853.91   41.573   87.540   3.4200   86.007   3.9279   92.347   6.9539  1825.00   41.862  1882.81   71.838 -57.81482 83.14534 
1 1 1   19   19    8 f  642.058   44.052   10.653   1.4541   10.653   1.4541   0.0000   0.0000  642.058   44.052  ?   ?       ?      ? 
1 1 1   19   19   10 o  2033.57   39.262  106.781   4.1048  106.781   4.1048   0.0000   0.0000  2033.57   39.262  ?   ?       ?      ? 
1 1 1   19   19   12 o  1687.15   39.408   73.521   3.4183   73.521   3.4183   0.0000   0.0000  1687.15   39.408  ?   ?       ?      ? 
1 1 1   19   19   14 o  1322.47   39.620   45.188   2.6938   45.188   2.6938   0.0000   0.0000  1322.47   39.620  ?   ?       ?      ? 
1 1 1   19   19   16 o  950.366   33.264   23.314   1.6253   23.314   1.6253   0.0000   0.0000  950.366   33.264  ?   ?       ?      ? 
1 1 1   19   19   18 o  863.426   37.250   18.116   1.2924   17.398   1.4223   21.516   3.0953  820.657   33.710  906.196   66.437 -85.53961 74.49989 
1 1 1   19   19   20 o  217.331   43.617   1.3815   0.4681   1.5521   0.5183   0.6267   1.0902  240.976   43.436  193.687   75.650 47.28964 87.23326 
1 1 1   19   19   22 o  341.639   47.740   3.7584   0.6132   4.0916   0.6753   2.1927   1.4640  397.677   33.028  285.600   89.585 112.0770 95.47935 
1 1 1   19   19   24 o  961.216   39.435   24.754   1.5126   25.067   1.6828   23.436   3.4509  983.796   33.271  938.636   71.509 45.15985 78.86996 
1 1 1   19   19   26 o  378.585   42.978   3.6365   0.7148   3.4181   0.8229   4.3077   1.4428  361.862   44.233  395.309   73.702 -33.44702 85.95649 
1 1 1   19   19   28 o  440.101   41.857   5.3648   0.7160   5.4742   0.8011   4.9307   1.5959  459.036   33.946  421.167   76.522 37.86893 83.71410 
1 1 1   19   19   30 o  259.282   42.318   2.2364   0.5613   2.8199   0.6544   0.6113   1.0920  328.557   38.738  190.008   75.251 138.5487 84.63680 
1 1 1   19   19   32 o  335.544   45.462   2.9694   0.7843   2.9694   0.7843   0.0000   0.0000  335.544   45.462  ?   ?       ?      ? 
1 1 1   19   19   34 o  712.791   36.214   12.901   1.1071   12.388   1.2480   14.799   2.3987  687.991   35.283  737.591   63.254 -49.59967 72.42876 
1 1 1   19   19   36 o  143.071   36.553   0.4671   0.3615   0.6870   0.4384   0.0000   0.6391  159.739   48.844  126.403   54.395 33.33535 73.10645 
1 1 1   19   19   38 o  476.198   46.552   6.8395   0.9554   7.5677   1.1471   5.1900   1.7265  534.090   41.774  418.306   83.206 115.7843 93.10345 
1 1 1   19   19   40 o  291.664   53.194   2.4976   0.7876   2.3985   1.0038   2.6565   1.2706  286.647   68.954  296.681   81.016 -10.03372 106.3874 
1 1 1   19   19   42 o  176.094   36.327   0.9507   0.3346   1.0921   0.3713   0.3402   0.7717  199.853   37.513  152.334   62.221 47.51930 72.65491 
1 1 1   19   19   44 o  244.276   50.048   1.6893   0.6074   1.6893   0.6074   0.0000   0.0000  244.276   50.048  ?   ?       ?      ? 
1 1 1   19   19   46 o  196.693   45.372   1.0087   0.4635   0.8856   0.5275   1.4254   0.9703  175.968   53.535  217.418   73.270 -41.44948 90.74437 
1 1 1   19   19   48 o  352.437   44.247   3.5274   0.6298   3.3988   0.7047   4.0375   1.4035  353.534   38.772  351.340   79.549 2.193970 88.49497 
1 1 1   19   20    1 o  398.573   32.048   4.1222   0.6531   4.6005   0.9212   3.6389   0.9260  422.043   42.456  375.103   48.019 46.94022 64.09593 
1 1 1   19   20    3 o  649.730   28.750   10.758   0.9478   10.082   1.2293   11.750   1.4886  625.028   38.254  674.431   42.930 -49.40289 57.50085 
1 1 1   19   20    5 o  898.256   28.638   20.804   1.2938   20.686   1.6633   20.985   2.0589  895.442   36.130  901.071   44.442 -5.628601 57.27588 
1 1 1   19   20    7 o  265.000   44.288   2.2271   0.6044   2.8124   0.7072   0.6431   1.1635  329.941   41.693  200.059   78.150 129.8814 88.57594 
1 1 1   19   20    9 o  877.619   46.780   19.756   2.0301   18.989   2.5227   21.165   3.4196  855.243   57.373  899.995   73.904 -44.75226 93.56030 
1 1 1   19   20   11 o  1451.15   55.887   54.663   4.1696   54.663   4.1696   0.0000   0.0000  1451.15   55.887  ?   ?       ?      ? 
1 1 1   19   20   13 o  1169.30   56.232   35.524   3.3805   35.524   3.3805   0.0000   0.0000  1169.30   56.232  ?   ?       ?      ? 
1 1 1   19   20   15 o  925.447   56.523   22.289   2.6894   22.289   2.6894   0.0000   0.0000  925.447   56.523  ?   ?       ?      ? 
1 1 1   19   20   17 o  1001.80   41.258   25.995   2.1250   25.995   2.1250   0.0000   0.0000  1001.80   41.258  ?   ?       ?      ? 
1 1 1   19   20   19 o  782.523   41.217   15.879   1.6582   15.879   1.6582   0.0000   0.0000  782.523   41.217  ?   ?       ?      ? 
1 1 1   19   20   21 o  403.284   47.935   4.9277   0.6919   5.2151   0.7618   3.5735   1.6536  448.968   33.005  357.601   90.010 91.36664 95.87051 
1 1 1   19   20   23 o  1558.60   40.262   66.164   2.4539   67.549   2.7209   60.127   5.6802  1615.15   32.766  1502.05   73.555 113.0991 80.52313 
1 1 1   19   20   25 o  1053.90   38.208   28.862   1.6322   28.646   1.8154   29.770   3.7292  1051.00   33.597  1056.81   68.635 -5.809082 76.41674 
1 1 1   19   20   27 o  896.972   40.851   22.636   1.4447   23.496   1.6143   19.179   3.2377  951.331   33.006  842.614   74.738 108.7162 81.70195 
1 1 1   19   20   29 o  843.370   38.593   18.302   1.5097   17.592   1.7714   20.187   2.8859  819.614   42.037  867.126   64.734 -47.51184 77.18504 
1 1 1   19   20   31 o  116.323   41.334   0.3090   0.3105   0.3090   0.3105   0.0000   0.0000  116.323   41.334  ?   ?       ?      ? 
1 1 1   19   20   33 o  974.623   38.813   26.014   1.5628   26.434   1.7621   24.465   3.3831  1005.78   34.077  943.466   69.746 62.31348 77.62633 
1 1 1   19   20   35 o  341.424   44.986   3.3674   0.6906   3.5413   0.8211   2.9471   1.2766  365.561   43.688  317.288   78.653 48.27316 89.97195 
1 1 1   19   20   37 o  350.720   44.234   3.3602   0.7108   3.2518   0.8446   3.6232   1.3158  348.764   47.106  352.676   74.884 -3.911957 88.46812 
1 1 1   19   20   39 o  165.417   39.705   0.7342   0.3937   0.8680   0.4553   0.3372   0.7843  176.741   48.593  154.093   62.808 22.64745 79.41078 
1 1 1   19   20   41 o  259.865   40.815   1.5366   0.4444   1.2576   0.4925   2.7610   1.0317  212.281   46.417  307.449   67.148 -95.16791 81.62953 
1 1 1   19   20   43 o  231.827   49.284   1.5181   0.5693   1.5181   0.5693   0.0000   0.0000  231.827   49.284  ?   ?       ?      ? 
1 1 1   19   20   45 o  300.244   44.666   3.0864   0.5772   3.4577   0.6559   1.8119   1.2152  359.790   35.458  240.698   81.993 119.0923 89.33173 
1 1 1   19   20   47 o  513.964   38.554   6.6891   0.8511   6.0476   0.9524   9.2350   1.8974  471.860   39.257  556.067   66.367 -84.20657 77.10822 
1 1 1   19   20   49 o  240.696   43.557   2.0495   0.5888   2.5243   0.6887   0.7605   1.1348  300.469   44.583  180.923   74.841 119.5462 87.11375 
1 1 1   19   21    0 o  459.503   59.283   5.7179   1.3364   5.7179   1.3364   0.0000   0.0000  459.503   59.283  459.503   59.283 -0.000000 0.000000 
1 1 1   19   21    2 o  736.662   34.895   13.865   1.2884   13.266   1.6327   14.854   2.0978  716.346   44.331  756.978   53.903 -40.63220 69.79076 
1 1 1   19   21    4 o  826.972   35.255   17.815   1.4429   18.115   1.8187   17.307   2.3702  837.245   42.251  816.698   56.448 20.54706 70.50925 
1 1 1   19   21    6 o  1124.35   45.050   32.696   2.6042   32.696   2.6042   0.0000   0.0000  1124.35   45.050  ?   ?       ?      ? 
1 1 1   19   21    8 o  872.854   48.478   20.642   2.0579   17.153   3.3424   22.772   2.6116  808.777   80.382  936.930   54.216 -128.1530 96.95643 
1 1 1   19   21   10 o  191.869   37.769   0.9870   0.3807   1.0270   0.4840   0.9222   0.6163  195.312   48.438  188.426   57.965 6.886063 75.53870 
1 1 1   19   21   12 o  1002.08   30.934   26.016   1.5898   26.385   2.1820   25.598   2.3209  1009.93   42.024  994.227   45.405 15.70117 61.86812 
1 1 1   19   21   14 o  601.814   46.289   9.2080   1.3907   8.4436   1.7396   10.562   2.3150  569.068   59.459  634.560   70.960 -65.49219 92.57777 
1 1 1   19   21   16 o  730.287   48.395   14.204   1.7337   14.725   2.1752   13.298   2.8705  751.379   56.309  709.195   78.726 42.18414 96.79067 
1 1 1   19   21   18 o  123.064   46.885   0.2748   0.4114   0.2748   0.4114   0.0000   0.0000  123.064   46.885  ?   ?       ?      ? 
1 1 1   19   21   20 o  506.563   41.903   6.6658   1.0913   6.6658   1.0913   0.0000   0.0000  506.563   41.903  ?   ?       ?      ? 
1 1 1   19   21   22 o  667.928   41.422   11.602   1.4224   11.602   1.4224   0.0000   0.0000  667.928   41.422  ?   ?       ?      ? 
1 1 1   19   21   24 o  336.356   43.051   2.9505   0.7445   2.9505   0.7445   0.0000   0.0000  336.356   43.051  ?   ?       ?      ? 
1 1 1   19   21   26 o  993.784   39.159   24.850   1.7846   23.445   2.0708   28.906   3.5176  947.292   42.520  1040.28   65.769 -92.98413 78.31706 
1 1 1   19   21   28 o  623.715   38.285   9.4803   1.1061   8.5186   1.2818   12.285   2.1889  569.981   43.740  677.450   62.846 -107.4695 76.56924 
1 1 1   19   21   30 o  581.661   59.132   9.0656   1.7683   9.0656   1.7683   0.0000   0.0000  581.661   59.132  ?   ?       ?      ? 
1 1 1   19   21   32 o  586.651   43.681   9.7994   1.1372   10.391   1.3388   8.2661   2.1549  628.300   41.447  545.001   76.905 83.29865 87.36295 
1 1 1   19   21   34 o  206.462   42.711   1.2047   0.4643   1.2886   0.5532   1.0043   0.8545  215.432   50.773  197.491   68.694 17.94130 85.42127 
1 1 1   19   21   36 o  451.908   50.834   6.5808   0.9657   7.6882   1.1603   4.0849   1.7420  538.571   41.905  365.245   92.630 173.3267 101.6681 
1 1 1   19   21   38 o  480.314   38.003   5.9594   0.7802   5.7213   0.8790   6.8434   1.6935  465.666   36.714  494.961   66.551 -29.29517 76.00681 
1 1 1   19   21   40 f  284.393   43.173   2.2243   0.5697   2.1360   0.6714   2.4516   1.0770  281.631   46.368  287.155   72.841 -5.524963 86.34683 
1 1 1   19   21   42 o   98.886   39.695   0.1372   0.3079   0.1372   0.3079   0.0000   0.0000   98.886   39.695  ?   ?       ?      ? 
1 1 1   19   21   44 o  333.457   46.555   3.4524   0.6342   3.5921   0.7150   2.9372   1.3731  365.979   37.998  300.935   85.003 65.04477 93.10939 
1 1 1   19   21   46 o  368.816   44.668   3.8574   0.7684   3.5702   0.9210   4.5154   1.3940  357.177   50.152  380.456   73.931 -23.27817 89.33660 
1 1 1   19   21   48 o  352.633   42.679   3.0242   0.6943   1.8739   0.8112   6.1754   1.3426  245.329   63.735  459.936   56.779 -214.6074 85.35828 
1 1 1   19   22    1 o  1300.82   35.440   44.262   2.3028   41.930   3.6707   45.776   2.9570  1271.01   56.174  1330.63   43.225 -59.61829 70.87930 
1 1 1   19   22    3 o  622.525   28.992   9.8841   0.9162   9.2518   1.1894   10.807   1.4367  598.539   38.651  646.511   43.222 -47.97180 57.98330 
1 1 1   19   22    5 o  1100.45   29.133   31.226   1.6289   30.844   2.1394   31.752   2.5124  1092.90   38.075  1108.00   44.104 -15.09961 58.26555 
1 1 1   19   22    7 o  1004.07   37.813   26.406   1.9234   27.886   2.5573   24.479   2.9186  1037.67   47.934  970.477   58.496 67.19397 75.62676 
1 1 1   19   22    9 o  167.751   32.960   0.7715   0.3035   0.9700   0.3937   0.4809   0.4764  190.043   41.464  145.459   51.247 44.58363 65.92068 
1 1 1   19   22   11 o  369.681   32.727   3.5264   0.6158   2.8843   0.8417   4.2662   0.9034  333.434   49.097  405.928   43.288 -72.49475 65.45470 
1 1 1   19   22   13 o  210.036   35.616   1.1917   0.3796   1.1918   0.5301   1.1916   0.5438  210.061   49.836  210.010   50.895 0.5105591E-01 71.23145 
1 1 1   19   22   15 o  1255.16   30.806   40.729   1.9835   38.896   2.6975   42.886   2.9268  1224.71   42.842  1285.61   44.280 -60.90649 61.61269 
1 1 1   19   22   17 o  484.774   47.001   6.0795   1.1392   5.7524   1.4354   6.6362   1.8726  468.571   59.584  500.978   72.705 -32.40683 94.00146 
1 1 1   19   22   19 o  1001.97   73.661   26.662   3.7946   0.0000   0.0000   26.662   3.7946  ?   ?   1001.97   73.661      ?      ? 
1 1 1   19   22   21 f  961.389   45.286   23.728   2.1973   20.938   2.7998   28.204   3.5457  891.098   61.112  1031.68   66.847 -140.5822 90.57149 
1 1 1   19   22   23 o  634.316   59.539   10.632   1.9417   10.632   1.9417   0.0000   0.0000  634.316   59.539  ?   ?       ?      ? 
1 1 1   19   22   25 o  683.897   41.733   12.212   1.4674   12.212   1.4674   0.0000   0.0000  683.897   41.733  ?   ?       ?      ? 
1 1 1   19   22   27 o  632.475   60.305   10.672   1.9609   10.672   1.9609   0.0000   0.0000  632.475   60.305  ?   ?       ?      ? 
1 1 1   19   22   29 o  629.506   60.289   10.631   1.9512   10.631   1.9512   0.0000   0.0000  629.506   60.289  ?   ?       ?      ? 
1 1 1   19   22   31 f  493.901   39.598   5.6247   0.9138   4.4898   1.0563   8.9997   1.8216  410.908   50.000  576.894   61.417 -165.9855 79.19629 
1 1 1   19   22   33 o  441.153   45.965   5.7498   0.7619   5.9805   0.8505   4.8121   1.7149  477.874   34.615  404.433   85.165 73.44122 91.93098 
1 1 1   19   22   35 f  282.406   37.269   1.5792   0.4415   1.1882   0.4848   3.4806   1.0690  207.251   46.627  357.562   58.152 -150.3107 74.53720 
1 1 1   19   22   37 o  445.439   39.118   5.2524   0.7275   5.1467   0.8162   5.6604   1.6040  442.005   35.918  448.873   69.504 -6.868073 78.23664 
1 1 1   19   22   39 o  287.390   46.087   2.4329   0.5949   2.5159   0.6812   2.1662   1.2211  306.722   43.196  268.058   81.427 38.66360 92.17475 
1 1 1   19   22   41 o  177.639   41.261   0.7772   0.3863   0.6795   0.4423   1.0911   0.7931  157.635   49.210  197.643   66.245 -40.00771 82.52247 
1 1 1   19   22   43 o  174.220   39.907   0.8304   0.3625   0.8520   0.4056   0.7447   0.8078  173.801   45.027  174.640   65.900 -0.8384705 79.81425 
1 1 1   19   22   45 o  176.162   39.454   0.9296   0.3547   1.0177   0.3821   0.3813   0.9529  190.604   40.257  161.719   67.867 28.88464 78.90829 
1 1 1   19   22   47 o  310.719   48.777   3.3695   0.6321   3.6016   0.7000   2.3440   1.4714  364.189   37.386  257.250   90.106 106.9388 97.55429 
1 1 1   19   23    0 o  447.191   52.322   5.4594   1.0525   5.9886   1.7971   5.1831   1.2985  459.028   84.620  435.354   61.562 0.000000 0.000000 
1 1 1   19   23    2 o  499.288   31.689   6.4504   0.8133   6.4403   1.1382   6.4609   1.1624  498.923   44.374  499.653   45.251 -0.7305603 63.37725 
1 1 1   19   23    4 o  910.110   29.355   21.468   1.3540   21.730   1.7776   21.105   2.0896  917.214   37.697  903.007   45.008 14.20709 58.70940 
1 1 1   19   23    6 o  937.461   30.792   22.664   1.4485   23.106   2.3260   22.384   1.8512  944.240   47.914  930.682   38.689 13.55817 61.58423 
1 1 1   19   23    8 o  603.047   30.007   9.2740   0.9233   8.2553   1.2189   10.645   1.4141  564.810   41.977  641.284   42.891 -76.47430 60.01457 
1 1 1   19   23   10 o  993.442   31.941   25.597   1.6305   26.266   2.2899   24.909   2.3222  1006.78   44.240  980.098   46.085 26.68646 63.88230 
1 1 1   19   23   12 o  1141.78   31.294   33.775   1.8350   33.131   2.5281   34.493   2.6678  1130.45   43.498  1153.10   45.001 -22.64917 62.58722 
1 1 1   19   23   14 o  1194.98   30.835   36.928   1.8908   34.907   2.5798   39.274   2.7794  1159.87   43.263  1230.10   43.948 -70.23462 61.66935 
1 1 1   19   23   16 o  1321.13   30.815   45.341   2.0856   45.302   2.8328   45.387   3.0819  1321.09   41.707  1321.17   45.372 -0.8093262E-01 61.62923 
1 1 1   19   23   18 o  1015.61   49.734   28.076   2.5041   30.995   3.2588   23.868   3.9128  1086.58   58.335  944.632   80.566 141.9484 99.46812 
1 1 1   19   23   20 o  566.682   43.093   7.9671   1.0618   7.5564   1.2002   9.4466   2.2779  538.633   43.340  594.731   74.497 -56.09839 86.18694 
1 1 1   19   23   22 o  490.845   47.636   5.9418   1.1568   4.5105   1.4294   8.6581   1.9691  411.479   67.567  570.211   67.168 -158.7316 95.27238 
1 1 1   19   23   24 o  646.193   55.532   12.362   1.6220   14.938   2.0755   8.3191   2.5999  752.542   53.644  539.845   97.249 212.6966 111.0635 
1 1 1   19   23   26 o  399.316   50.271   3.9890   0.9730   1.9283   1.2182   7.6195   1.6170  263.726   81.556  534.907   58.797 -271.1817 100.5411 
1 1 1   19   23   28 f  727.496   60.731   14.203   2.2715   14.203   2.2715   0.0000   0.0000  727.496   60.731  ?   ?       ?      ? 
1 1 1   19   23   30 o  802.876   42.546   16.980   1.7562   16.980   1.7562   0.0000   0.0000  802.876   42.546  ?   ?       ?      ? 
1 1 1   19   23   32 o  363.793   36.255   3.4713   0.6781   3.4713   0.6781   0.0000   0.0000  363.793   36.255  ?   ?       ?      ? 
1 1 1   19   23   34 o  687.601   42.156   13.741   1.1603   14.366   1.3080   11.431   2.5140  740.047   34.377  635.155   76.985 104.8917 84.31228 
1 1 1   19   23   36 o  656.455   43.743   12.302   1.3018   12.897   1.5462   10.853   2.4124  696.096   43.204  616.813   76.073 79.28345 87.48572 
1 1 1   19   23   38 o  190.009   39.786   0.7904   0.3358   0.6525   0.3682   1.4704   0.8180  154.160   44.183  225.858   66.179 -71.69719 79.57257 
1 1 1   19   23   40 o  527.251   41.987   7.4091   1.0306   6.9522   1.2092   8.6222   1.9703  506.978   46.392  547.525   69.995 -40.54718 83.97337 
1 1 1   19   23   42 o  147.060   37.529   0.4385   0.2835   0.3803   0.3084   0.7551   0.7190  122.085   41.311  172.035   62.668 -49.95053 75.05901 
1 1 1   19   23   44 o  194.163   41.308   1.1373   0.4023   1.2167   0.4440   0.7730   0.9507  208.026   42.934  180.300   70.583 27.72581 82.61564 
1 1 1   19   23   46 o  239.354   49.698   1.7526   0.6590   1.2917   0.8693   2.3749   1.0102  205.491   69.355  273.216   71.199 -67.72560 99.39527 
1 1 1   19   24    1 o  425.827   33.101   4.7808   0.7043   6.0854   0.9986   3.4896   0.9935  485.103   40.041  366.551   52.721 118.5518 66.20220 
1 1 1   19   24    3 o  697.837   29.133   12.499   1.0327   11.990   1.3477   13.223   1.6072  681.050   38.488  714.624   43.744 -33.57397 58.26567 
1 1 1   19   24    5 o  381.733   51.842   4.2784   0.8606   4.6980   1.0052   3.1273   1.6650  425.743   45.925  337.722   92.959 88.02087 103.6846 
1 1 1   19   24    7 o  989.477   30.122   25.052   1.5231   22.180   2.0305   28.746   2.3031  925.407   42.678  1053.55   42.520 -128.1387 60.24376 
1 1 1   19   24    9 o  597.302   30.705   9.3577   0.9268   9.9639   1.2288   8.5576   1.4117  620.538   38.515  574.065   47.830 46.47290 61.40937 
1 1 1   19   24   11 o  1151.75   31.932   34.445   1.8902   34.967   2.6544   33.908   2.6924  1160.77   44.479  1142.73   45.827 18.03223 63.86326 
1 1 1   19   24   13 o  311.032   37.476   2.6642   0.5625   3.5882   0.7881   1.7047   0.8031  371.945   41.215  250.118   62.603 121.8264 74.95219 
1 1 1   19   24   15 o  465.358   32.098   5.6353   0.7662   5.6561   1.0497   5.6116   1.1209  466.471   43.768  464.245   46.962 2.226105 64.19504 
1 1 1   19   24   17 o  715.333   48.219   13.323   1.7386   12.469   2.2201   14.677   2.7959  687.774   62.785  742.892   73.202 -55.11816 96.43851 
1 1 1   19   24   19 f  590.642   31.329   9.0493   0.9477   8.6069   1.2749   9.5957   1.4169  574.800   43.141  606.484   45.442 -31.68408 62.65857 
1 1 1   19   24   21 o  582.123   31.303   8.7636   0.9322   7.7813   1.2521   9.9853   1.3964  545.805   44.620  618.442   43.917 -72.63733 62.60676 
1 1 1   19   24   23 o  897.108   43.707   21.847   1.7030   22.263   1.9581   20.554   3.4504  923.449   41.244  870.767   77.071 52.68201 87.41325 
1 1 1   19   24   25 o  210.247   45.521   0.7552   0.5450   0.1885   0.6401   2.2488   1.0390  137.497   56.471  282.998   71.412 -145.5003 91.04210 
1 1 1   19   24   27 o  139.689   52.167   0.4030   0.5035   0.4030   0.5035   0.0000   0.0000  139.689   52.167  ?   ?       ?      ? 
1 1 1   19   24   29 o  376.133   81.081   4.0839   1.5218   0.0000   0.0000   4.0839   1.5218  ?   ?   376.133   81.081      ?      ? 
1 1 1   19   24   31 o  379.285   71.728   4.0921   1.3475   4.0921   1.3475   0.0000   0.0000  379.285   71.728  ?   ?       ?      ? 
1 1 1   19   24   33 o  304.804   48.585   2.4847   0.7614   2.4847   0.7614   0.0000   0.0000  304.804   48.585  ?   ?       ?      ? 
1 1 1   19   24   35 o  564.764   43.623   8.4918   1.2666   8.4918   1.2666   0.0000   0.0000  564.764   43.623  ?   ?       ?      ? 
1 1 1   19   24   37 o  223.429   42.662   1.4420   0.4335   1.5055   0.4753   1.1278   1.0574  238.292   38.797  208.565   75.994 29.72729 85.32424 
1 1 1   19   24   39 o  200.592   43.937   1.1208   0.5520   1.7038   0.7384   0.3819   0.8312  242.943   59.574  158.240   64.599 84.70201 87.87494 
1 1 1   19   24   41 o  316.068   45.749   3.2255   0.5893   3.4560   0.6612   2.3355   1.2991  360.419   35.685  271.716   84.253 88.70325 91.49834 
1 1 1   19   24   43 o  321.905   47.931   3.5207   0.6345   3.8130   0.7093   2.3504   1.4194  377.159   36.581  266.650   88.608 110.5090 95.86212 
1 1 1   19   24   45 o  533.368   44.589   8.0710   1.1052   7.6266   1.3007   9.2253   2.0962  522.188   48.447  544.548   74.872 -22.36060 89.17895 
1 1 1   19   24   47 o  169.973   42.282   0.4667   0.3393   0.2926   0.3636   1.6430   0.9451  115.684   44.077  224.262   72.168 -108.5775 84.56380 
1 1 1   19   25    0 o  262.946  101.953   2.4639   1.3111   0.0000   0.0000   2.4639   1.3111  262.946  101.953  262.946  101.953 -0.000000 0.000000 
1 1 1   19   25    2 o  455.351   47.051   5.5728   0.9181   5.6386   1.0619   5.3779   1.8269  466.405   44.284  444.296   83.031 22.10922 94.10217 
1 1 1   19   25    4 o  942.155   32.056   23.061   1.5501   21.899   2.2163   24.175   2.1688  918.575   46.930  965.735   43.680 -47.16010 64.11181 
1 1 1   19   25    6 o  569.991   28.447   8.4246   0.8323   8.1650   1.2000   8.6651   1.1553  561.378   41.579  578.603   38.835 -17.22504 56.89463 
1 1 1   19   25    8 o  1242.42   30.257   39.944   1.9211   39.263   2.5699   40.808   2.8923  1230.97   40.607  1253.87   44.866 -22.89758 60.51375 
1 1 1   19   25   10 f  314.400   37.785   2.6936   0.5773   1.8288   0.8191   3.5473   0.8139  259.072   62.270  369.727   42.816 -110.6555 75.56931 
1 1 1   19   25   12 f  516.992   32.598   6.9547   0.8658   7.0122   1.2049   6.8933   1.2450  519.328   45.128  514.656   47.053 4.672485 65.19601 
1 1 1   19   25   14 o  1167.72   31.703   35.516   1.8992   36.054   2.6137   34.914   2.7644  1177.61   43.170  1157.83   46.440 19.77844 63.40632 
1 1 1   19   25   16 o  1376.72   43.775   50.309   2.6385   50.635   3.0323   49.292   5.3539  1395.16   42.275  1358.28   76.668 36.87622 87.55042 
1 1 1   19   25   18 o  1579.87   38.123   65.456   2.9681   65.855   4.9623   65.234   3.7036  1578.86   61.133  1580.89   45.567 -2.028687 76.24683 
1 1 1   19   25   20 o  771.563   31.320   15.531   1.2379   15.317   1.6754   15.789   1.8370  766.184   42.532  776.941   45.988 -10.75653 62.64080 
1 1 1   19   25   22 o  670.166   31.448   11.730   1.0796   11.443   1.4587   12.078   1.6055  661.542   42.887  678.789   46.006 -17.24744 62.89517 
1 1 1   19   25   24 o  540.046   43.183   7.8298   1.1887   6.6882   1.6801   8.9741   1.6820  498.892   65.502  581.200   56.289 -82.30774 86.36521 
1 1 1   19   25   26 o  702.979   42.293   12.976   1.5285   12.976   1.5285   0.0000   0.0000  702.979   42.293  ?   ?       ?      ? 
1 1 1   19   25   28 o  884.962   48.419   21.712   2.1399   22.949   2.7762   19.902   3.3589  923.641   58.463  846.283   77.200 77.35785 96.83849 
1 1 1   19   25   30 o  474.329   50.562   6.1032   1.2098   5.5814   1.5438   6.9336   1.9475  450.908   66.593  497.749   76.100 -46.84155 101.1231 
1 1 1   19   25   32 o  323.819   54.287   2.9082   0.8709   2.3610   1.0928   3.8601   1.4415  284.847   73.966  362.790   79.483 -77.94257 108.5746 
1 1 1   19   25   34 o  452.535   49.974   5.7037   1.1254   4.7326   1.4919   6.9861   1.7143  403.997   74.572  501.073   66.547 -97.07584 99.94767 
1 1 1   19   25   36 o  612.137   44.786   10.030   1.4095   10.030   1.4095   0.0000   0.0000  612.137   44.786  ?   ?       ?      ? 
1 1 1   19   25   38 o  164.558   55.587   0.7156   0.5584   0.7156   0.5584   0.0000   0.0000  164.558   55.587  ?   ?       ?      ? 
1 1 1   19   25   40 f  126.683   41.230   0.4216   0.3079   0.4216   0.3079   0.0000   0.0000  126.683   41.230  ?   ?       ?      ? 
1 1 1   19   25   42 o  226.554   42.287   1.6872   0.4611   1.8650   0.5057   0.8083   1.1240  263.702   37.297  189.406   75.907 74.29590 84.57484 
1 1 1   19   25   44 o  143.061   35.555   0.5340   0.2993   0.5712   0.3421   0.4129   0.6178  143.046   43.019  143.077   56.621 -0.3085327E-01 71.10967 
1 1 1   19   25   46 o  260.755   45.105   2.3496   0.6280   2.8494   0.7572   1.2483   1.1241  318.552   46.235  202.958   77.460 115.5945 90.20924 
1 1 1   19   26    1 o  348.399   40.544   2.6846   0.6497   1.9761   0.7529   4.7507   1.2857  270.405   55.997  426.393   58.648 -155.9874 81.08776 
1 1 1   19   26    3 f  428.031   32.778   4.7610   0.7206   5.0208   1.0218   4.5041   1.0163  439.760   45.195  416.303   47.486 23.45770 65.55504 
1 1 1   19   26    5 o  600.519   30.387   9.2619   0.9330   8.4597   1.2427   10.298   1.4125  571.101   42.324  629.937   43.613 -58.83575 60.77336 
1 1 1   19   26    7 o  689.513   32.080   12.296   1.1001   12.581   1.8092   12.129   1.3856  694.918   50.640  684.109   39.396 10.80890 64.15925 
1 1 1   19   26    9 o  650.255   33.762   11.059   1.1228   10.333   1.6379   11.702   1.5422  629.535   50.605  670.975   44.705 -41.43939 67.52339 
1 1 1   19   26   11 f  882.589   32.977   20.338   1.4897   18.126   2.1047   22.559   2.1088  833.758   49.100  931.421   44.037 -97.66260 65.95466 
1 1 1   19   26   13 o  568.239   32.684   8.4095   0.9546   8.1944   1.3316   8.6370   1.3692  560.773   46.185  575.706   46.258 -14.93378 65.36707 
1 1 1   19   26   15 o  1160.83   44.014   35.334   2.2624   35.098   2.6053   36.058   4.5624  1160.77   43.656  1160.89   76.441 -0.1214600 88.02892 
1 1 1   19   26   17 o  508.259   39.553   6.7919   0.9844   6.8276   1.6678   6.7728   1.2195  507.456   63.927  509.063   46.596 -1.606964 79.10648 
1 1 1   19   26   19 o  617.346   31.848   9.9679   1.0071   9.9816   1.3679   9.9517   1.4883  618.267   43.032  616.426   46.963 1.841064 63.69677 
1 1 1   19   26   21 o  573.409   37.428   8.4044   1.0822   10.135   1.7525   7.3378   1.3759  618.988   55.070  527.830   50.703 91.15887 74.85652 
1 1 1   19   26   23 o  952.136   42.057   24.194   2.0584   23.850   2.9237   24.532   2.8985  945.021   60.175  959.251   58.773 -14.23047 84.11432 
1 1 1   19   26   25 o  258.323   37.054   1.7872   0.4833   1.3683   0.6547   2.2889   0.7165  222.218   57.023  294.429   47.332 -72.21109 74.10763 
1 1 1   19   26   27 o  643.211   45.904   11.826   1.2794   12.443   1.4865   10.060   2.5130  687.485   42.055  598.936   81.609 88.54968 91.80772 
1 1 1   19   26   29 o  405.128   48.264   4.4350   0.8078   4.3192   0.9121   4.8558   1.7394  403.980   43.916  406.276   85.959 -2.295563 96.52721 
1 1 1   19   26   31 o  522.781   44.356   7.6218   1.0398   7.7802   1.2171   7.1936   2.0006  541.433   43.722  504.129   77.190 37.30435 88.71236 
1 1 1   19   26   33 o  143.489   38.452   0.4554   0.3429   0.5460   0.3755   0.0000   0.8419  143.595   45.413  143.383   62.064 0.2125092 76.90448 
1 1 1   19   26   35 o  567.318   51.848   9.3636   1.4656   10.326   1.9329   8.0622   2.2479  610.605   61.573  524.032   83.436 86.57379 103.6951 
1 1 1   19   26   37 o  176.404   44.430   0.7736   0.5266   1.0846   0.7131   0.4006   0.7811  196.576   62.625  156.231   63.041 40.34476 88.86032 
1 1 1   19   26   39 o  435.789   44.854   5.1413   1.0050   5.1413   1.0050   0.0000   0.0000  435.789   44.854  ?   ?       ?      ? 
1 1 1   19   26   41 o  135.734   43.123   0.4977   0.3383   0.4977   0.3383   0.0000   0.0000  135.734   43.123  ?   ?       ?      ? 
1 1 1   19   26   43 o  370.925   37.349   3.7120   0.7123   3.7120   0.7123   0.0000   0.0000  370.925   37.349  ?   ?       ?      ? 
1 1 1   19   26   45 o  125.325   36.396   0.2683   0.3376   0.3399   0.3800   0.0000   0.7357  121.274   45.314  129.376   56.968 -8.102531 72.79179 
1 1 1   19   27    0 o  316.166  104.217   3.3453   1.5044   3.3453   1.5044   0.0000   0.0000  316.166  104.217  316.166  104.217 0.000000 0.000000 
1 1 1   19   27    2 o  284.276   57.359   2.1936   0.8828   2.5226   1.2794   1.8945   1.2197  302.638   80.735  265.914   81.500 36.72339 114.7184 
1 1 1   19   27    4 o  1090.13   34.477   31.006   1.9093   30.583   2.9231   31.321   2.5214  1082.50   52.523  1097.77   44.676 -15.26697 68.95338 
1 1 1   19   27    6 o  661.536   42.166   11.570   1.1838   11.313   2.5108   11.643   1.3424  652.987   74.790  670.085   38.965 -17.09851 84.33108 
1 1 1   19   27    8 o  203.008   35.978   0.9903   0.3696   1.6472   0.6372   0.6572   0.4537  246.671   51.886  159.344   49.854 87.32669 71.95520 
1 1 1   19   27   10 o  763.413   44.196   16.111   1.5546   13.522   2.7927   17.273   1.8714  712.244   76.265  814.583   44.686 -102.3384 88.39169 
1 1 1   19   27   12 o  462.195   33.741   5.5752   0.8015   5.3632   1.1250   5.7936   1.1420  453.192   48.285  471.198   47.141 -18.00601 67.48178 
1 1 1   19   27   14 f  312.254   35.489   2.5899   0.5560   2.3697   0.7829   2.8141   0.7898  296.271   53.362  328.237   46.801 -31.96591 70.97753 
1 1 1   19   27   16 o  566.060   51.435   8.5683   1.4683   8.4925   1.8988   8.6809   2.3157  565.177   65.349  566.944   79.446 -1.766602 102.8695 
1 1 1   19   27   18 o  201.403   37.566   1.1118   0.4008   1.3568   0.5576   0.8498   0.5766  223.070   49.869  179.736   56.195 43.33350 75.13186 
1 1 1   19   27   20 o  1256.59   37.623   41.794   2.3539   41.403   3.8242   42.033   2.9868  1247.49   59.625  1265.69   45.899 -18.19067 75.24519 
1 1 1   19   27   22 o  294.114   39.188   2.3249   0.5579   2.2889   0.6977   2.3886   0.9289  294.990   46.006  293.238   63.453 1.752411 78.37678 
1 1 1   19   27   24 o  424.929   32.833   4.7479   0.7159   4.4843   0.9768   5.0540   1.0524  412.311   46.079  437.547   46.785 -25.23672 65.66643 
1 1 1   19   27   26 o  644.067   32.049   10.879   1.0545   9.3035   1.4292   12.761   1.5622  592.669   46.903  695.466   43.690 -102.7979 64.09863 
1 1 1   19   27   28 o  598.345   39.402   9.6035   1.1735   9.8032   1.9200   9.4844   1.4826  599.907   62.250  596.783   48.322 3.124023 78.80400 
1 1 1   19   27   30 o  493.266   41.668   5.8562   0.9334   5.0892   1.0652   8.3916   1.9367  436.673   47.448  549.858   68.509 -113.1844 83.33573 
1 1 1   19   27   32 o  362.380   48.546   3.7189   0.7592   3.7148   0.8732   3.7317   1.5367  373.066   45.526  351.694   85.757 21.37271 97.09219 
1 1 1   19   27   34 o  313.573   48.133   3.5088   0.7220   4.2686   0.8346   1.2481   1.4397  400.875   40.495  226.271   87.334 174.6046 96.26544 
1 1 1   19   27   36 o  426.438   54.568   5.5096   1.1301   6.1566   1.4802   4.6055   1.7497  469.696   61.298  383.180   90.295 86.51596 109.1358 
1 1 1   19   27   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   27   40 o  504.511   53.851   7.2999   1.3069   4.9909   1.6690   10.960   2.1014  395.627   84.616  613.395   66.633 -217.7680 107.7023 
1 1 1   19   27   42 o  148.062   47.230   0.6059   0.4055   0.6059   0.4055   0.0000   0.0000  148.062   47.230  ?   ?       ?      ? 
1 1 1   19   27   44 o  172.937   41.640   0.8530   0.3658   0.8530   0.3658   0.0000   0.0000  172.937   41.640  ?   ?       ?      ? 
1 1 1   19   28    1 o  395.247   42.380   3.4525   0.7620   5.9921   1.5531   2.6473   0.8745  477.083   63.321  313.410   56.344 163.6728 84.75977 
1 1 1   19   28    3 o  1033.94   43.062   28.056   2.0368   28.197   3.8972   28.003   2.3890  1030.48   73.560  1037.40   44.793 -6.919800 86.12450 
1 1 1   19   28    5 o  872.310   39.698   18.100   1.6404   24.899   3.1454   15.560   1.9226  972.246   62.925  772.374   48.417 199.8719 79.39617 
1 1 1   19   28    7 o  437.379   46.170   4.9366   1.0132   5.5831   1.6591   4.5522   1.2794  458.739   70.347  416.020   59.817 42.71976 92.34065 
1 1 1   19   28    9 o  286.987   36.747   2.1671   0.5281   2.5687   0.7901   1.8428   0.7100  313.557   49.009  260.418   54.769 53.13824 73.49466 
1 1 1   19   28   11 o  470.089   31.808   5.7938   0.7596   5.9801   1.0095   5.5508   1.1531  479.421   40.957  460.757   48.677 18.66483 63.61576 
1 1 1   19   28   13 o  523.161   33.444   7.1468   0.8986   6.7267   1.2458   7.6024   1.2975  507.069   47.789  539.254   46.799 -32.18546 66.88751 
1 1 1   19   28   15 o  589.017   60.818   10.289   1.6441   12.667   2.1399   6.8630   2.5684  691.492   60.192  486.542  105.699 204.9496 121.6364 
1 1 1   19   28   17 o  1106.38   38.390   32.126   2.1083   33.079   3.4848   31.576   2.6479  1115.55   60.761  1097.22   46.940 18.33264 76.78033 
1 1 1   19   28   19 o  534.077   43.016   7.5922   1.1768   8.5183   1.7038   6.7473   1.6274  565.867   58.566  502.287   63.019 63.58023 86.03122 
1 1 1   19   28   21 o  610.638   35.411   9.3391   1.0735   7.9888   1.3242   11.928   1.8334  550.715   46.770  670.561   53.181 -119.8456 70.82127 
1 1 1   19   28   23 o  581.448   31.990   8.8761   0.9523   8.5193   1.2797   9.3188   1.4255  568.881   43.755  594.016   46.678 -25.13525 63.97900 
1 1 1   19   28   25 o  225.223   38.921   1.4383   0.4653   1.9738   0.6427   0.8485   0.6746  269.040   48.240  181.405   61.093 87.63545 77.84299 
1 1 1   19   28   27 o  646.180   48.919   11.166   1.5891   9.8793   2.0075   13.324   2.6003  600.535   65.021  691.825   73.107 -91.29034 97.83852 
1 1 1   19   28   29 o  347.150   34.603   3.2099   0.6162   2.9885   0.8389   3.4693   0.9081  334.241   48.818  360.058   49.054 -25.81665 69.20570 
1 1 1   19   28   31 o  472.709   32.712   5.9326   0.7924   5.4055   1.0727   6.5657   1.1756  449.698   46.397  495.720   46.127 -46.02249 65.42409 
1 1 1   19   28   33 o  209.223   46.763   1.0424   0.4971   0.8371   0.5673   1.7207   1.0311  175.445   55.858  243.001   75.013 -67.55533 93.52544 
1 1 1   19   28   35 o  117.618   36.514   0.0000   0.3371   0.0000   0.3726   0.0000   0.7910   97.016   41.637  138.221   59.994 -41.20505 73.02699 
1 1 1   19   28   37 o  750.259   63.488   15.974   2.4489   15.974   2.4489   0.0000   0.0000  750.259   63.488  ?   ?       ?      ? 
1 1 1   19   28   39 o  269.541   45.846   2.5650   0.6483   3.1231   0.7480   0.8784   1.3001  339.454   42.858  199.628   81.060 139.8254 91.69235 
1 1 1   19   28   41 o  126.594   36.848   0.2573   0.3334   0.3167   0.3699   0.0000   0.7699  119.447   44.693  133.742   58.597 -14.29417 73.69611 
1 1 1   19   28   43 o  322.818   54.249   3.3176   0.8782   2.8488   1.1405   4.0005   1.3766  296.206   74.858  349.430   78.537 -53.22400 108.4985 
1 1 1   19   29    0 o  176.170   94.994   1.1758   1.1951   0.0000   0.0000   1.1758   1.1951  176.170   94.994  176.170   94.994 -0.000000 0.000000 
1 1 1   19   29    2 o  409.479   61.604   4.7103   1.2566   4.1789   1.8184   5.1960   1.7385  384.969   92.933  433.990   80.892 -49.02060 123.2076 
1 1 1   19   29    4 o  962.353   53.533   24.707   2.6467   23.968   3.6584   25.520   3.8339  947.549   75.096  977.157   76.314 -29.60870 107.0663 
1 1 1   19   29    6 o  771.177   33.909   15.569   1.3375   15.174   1.9803   15.899   1.8137  761.488   50.581  780.865   45.176 -19.37720 67.81858 
1 1 1   19   29    8 f  1528.36   32.141   61.295   2.4338   59.641   3.9862   62.278   3.0732  1508.66   51.392  1548.07   38.612 -39.40979 64.28109 
1 1 1   19   29   10 o  427.862   35.926   4.7428   0.7855   5.3938   1.1905   4.2407   1.0454  453.517   51.056  402.207   50.556 51.30960 71.85186 
1 1 1   19   29   12 o  880.450   34.511   20.396   1.5543   19.355   2.2779   21.304   2.1262  858.326   51.619  902.573   45.819 -44.24652 69.02102 
1 1 1   19   29   14 o  444.704   56.582   5.4841   1.2348   5.6160   1.5988   5.2892   1.9438  458.119   67.882  431.289   90.544 26.83041 113.1644 
1 1 1   19   29   16 o  336.841   50.633   2.9889   0.8769   0.0000   0.0000   2.9889   0.8769  ?   ?   336.841   50.633      ?      ? 
1 1 1   19   29   18 o  317.464   47.620   2.8239   0.7509   2.6026   1.1100   3.0107   1.0197  304.249   72.071  330.680   62.261 -26.43015 95.24054 
1 1 1   19   29   20 o  210.602   38.409   1.2186   0.4202   1.0573   0.5840   1.3918   0.6051  196.519   55.409  224.686   53.206 -28.16632 76.81832 
1 1 1   19   29   22 o  603.203   32.362   9.5147   0.9909   7.6015   1.3384   11.836   1.4742  535.702   48.595  670.705   42.753 -135.0031 64.72422 
1 1 1   19   29   24 o  324.249   35.886   2.8321   0.5798   2.3808   0.7999   3.3317   0.8415  293.835   54.968  354.663   46.150 -60.82785 71.77280 
1 1 1   19   29   26 o  365.138   54.829   3.8218   0.9738   3.6939   1.2342   4.0329   1.5851  360.897   69.032  369.379   85.202 -8.482300 109.6572 
1 1 1   19   29   28 o  280.364   36.678   2.1575   0.5105   1.5632   0.7049   2.8131   0.7403  235.348   58.505  325.379   44.253 -90.03162 73.35635 
1 1 1   19   29   30 o  208.052   35.357   1.1454   0.4102   0.5162   0.5588   1.8805   0.6041  150.417   55.180  265.688   44.222 -115.2711 70.71381 
1 1 1   19   29   32 o  510.343   33.266   6.9454   0.8697   6.3174   1.1741   7.7088   1.2945  484.948   47.091  535.738   46.999 -50.79077 66.53175 
1 1 1   19   29   34 o  346.309   54.966   3.7492   0.9697   4.4719   1.2549   2.6778   1.5278  400.619   60.925  291.999   91.504 108.6201 109.9313 
1 1 1   19   29   36 o  388.619   45.606   4.0894   0.9112   4.0894   0.9112   0.0000   0.0000  388.619   45.606  ?   ?       ?      ? 
1 1 1   19   29   38 o  474.956   50.634   6.6516   1.0158   6.6116   1.1704   6.7736   2.0453  491.938   46.274  457.974   90.077 33.96478 101.2674 
1 1 1   19   29   40 o  236.190   48.869   1.6447   0.5695   1.5896   0.6509   1.8246   1.1756  232.879   55.209  239.501   80.652 -6.622772 97.73833 
1 1 1   19   29   42 o  471.645   60.197   8.8801   1.1626   10.386   1.3496   4.5475   2.2895  613.964   42.756  329.326  112.545 284.6374 120.3931 
1 1 1   19   29   44 o  491.626   56.512   8.0740   1.3625   8.2367   1.7875   7.8484   2.1051  514.161   67.620  469.092   90.564 45.06906 113.0237 
1 1 1   19   30    1 o  1026.81   45.736   28.473   2.0962   29.067   2.4419   26.812   4.0867  1055.48   45.000  998.136   79.637 57.34277 91.47202 
1 1 1   19   30    3 o  638.801   56.993   12.633   1.4577   14.261   1.7086   8.2768   2.7949  739.245   44.954  538.356  104.747 200.8894 113.9860 
1 1 1   19   30    5 o  268.676   47.249   2.0258   0.5739   2.1183   0.6439   1.6684   1.2655  284.959   43.949  252.393   83.657 32.56581 94.49866 
1 1 1   19   30    7 o  375.737   43.570   3.7593   0.8102   2.9291   1.0953   4.7622   1.2039  326.150   67.544  425.323   55.057 -99.17258 87.14045 
1 1 1   19   30    9 o  692.685   34.120   12.074   1.1832   10.518   1.4814   14.817   1.9663  634.229   45.432  751.141   50.917 -116.9123 68.23937 
1 1 1   19   30   11 o  489.746   61.355   8.5073   1.1131   9.6701   1.2485   4.0009   2.4577  609.085   39.869  370.407  116.053 238.6773 122.7101 
1 1 1   19   30   13 o  152.105   65.297   0.0000   0.9169   0.0000   0.0000   0.0000   0.9169  ?   ?   152.105   65.297      ?      ? 
1 1 1   19   30   15 o  1047.52   58.338   29.183   3.1418   0.0000   0.0000   29.183   3.1418  ?   ?   1047.52   58.338      ?      ? 
1 1 1   19   30   17 o  622.167   44.444   10.390   1.4161   10.318   2.0911   10.451   1.9246  618.967   65.710  625.366   59.859 -6.399536 88.88705 
1 1 1   19   30   19 o  681.325   42.306   13.106   1.3739   10.324   2.2665   14.723   1.7275  614.928   71.691  747.721   44.938 -132.7928 84.61134 
1 1 1   19   30   21 o  570.159   39.681   8.6235   1.1244   9.0312   1.8587   8.3882   1.4121  577.912   62.556  562.405   48.836 15.50745 79.36111 
1 1 1   19   30   23 o  388.648   43.196   4.2616   0.7936   3.7358   1.3048   4.5703   0.9997  362.241   72.587  415.056   46.849 -52.81479 86.39289 
1 1 1   19   30   25 o  269.884   53.715   1.8001   0.7587   1.1556   0.9151   3.2166   1.3567  208.707   71.154  331.060   80.488 -122.3528 107.4303 
1 1 1   19   30   27 o  481.777   39.810   6.1278   0.9599   7.0283   1.5853   5.6067   1.2060  506.870   60.835  456.685   51.366 50.18533 79.62007 
1 1 1   19   30   29 o  837.707   39.442   19.224   1.6319   18.535   2.6740   19.634   2.0600  818.820   63.519  856.594   46.775 -37.77441 78.88329 
1 1 1   19   30   31 o  1082.33   38.807   31.640   2.0977   33.342   3.4268   30.620   2.6528  1098.41   60.681  1066.25   48.392 32.16003 77.61469 
1 1 1   19   30   33 o   78.702   33.651   0.0000   0.2418   0.0000   0.0000   0.0000   0.2418  ?   ?    78.702   33.651      ?      ? 
1 1 1   19   30   35 o  362.127   42.225   3.5134   0.7492   4.7882   1.2410   2.7822   0.9399  413.943   58.313  310.311   61.086 103.6318 84.45081 
1 1 1   19   30   37 o  408.892   58.587   5.9960   1.2493   8.5297   1.6247   2.3310   1.9540  550.172   57.438  267.612  102.130 282.5595 117.1736 
1 1 1   19   30   39 o  274.764   54.159   2.3596   0.7896   2.0245   1.0409   2.8139   1.2119  253.290   74.780  296.237   78.364 -42.94739 108.3185 
1 1 1   19   30   41 f  272.427   56.447   2.2939   0.8225   1.7380   1.0219   3.3162   1.3857  232.451   75.068  312.402   84.319 -79.95032 112.8930 
1 1 1   19   30   43 o  412.535   61.748   5.8970   1.2598   5.3635   1.6645   6.6125   1.9276  393.560   84.767  431.511   89.811 -37.95139 123.4967 
1 1 1   19   31    0 o  259.118   61.336   2.4759   0.7735   1.6371   1.3405   2.8946   0.9471  203.751  103.021  314.486   66.595 0.000000 0.000000 
1 1 1   19   31    2 o  347.220   33.956   3.1624   0.6052   3.0638   0.8723   3.2538   0.8402  341.777   49.644  352.663   46.340 -10.88571 67.91105 
1 1 1   19   31    4 o  959.320   41.402   22.552   1.7264   21.120   1.9468   27.826   3.7355  899.745   42.086  1018.90   71.310 -119.1497 82.80332 
1 1 1   19   31    6 o  634.244   35.817   10.602   1.1171   10.683   1.3943   10.456   1.8666  639.704   42.395  628.785   57.742 10.91895 71.63429 
1 1 1   19   31    8 o  1029.22   35.944   28.428   1.8576   24.371   2.8130   31.565   2.4737  959.756   57.009  1098.68   43.793 -138.9249 71.88805 
1 1 1   19   31   10 o  650.885   53.395   11.184   1.7868   11.184   1.7868   0.0000   0.0000  650.885   53.395  ?   ?       ?      ? 
1 1 1   19   31   12 o  401.928   54.985   4.2787   1.1362   4.2787   1.1362   0.0000   0.0000  401.928   54.985  ?   ?       ?      ? 
1 1 1   19   31   14 o  624.054   68.994   10.523   2.2136   10.523   2.2136   0.0000   0.0000  624.054   68.994  ?   ?       ?      ? 
1 1 1   19   31   16 o  396.506   43.801   3.5358   0.7831   2.7677   0.8927   6.1007   1.6313  317.985   56.680  475.026   66.795 -157.0410 87.60249 
1 1 1   19   31   18 o  922.089   43.550   21.454   1.8336   19.877   2.1172   26.188   3.6678  867.106   47.491  977.071   73.014 -109.9645 87.10023 
1 1 1   19   31   20 o  1091.54   44.986   31.616   2.1833   30.910   2.5137   33.786   4.4056  1081.48   45.210  1101.60   77.788 -20.12012 89.97157 
1 1 1   19   31   22 o  355.482   50.299   3.4402   0.7761   3.3361   0.8866   3.7814   1.6051  354.008   48.716  356.955   88.016 -2.946991 100.5985 
1 1 1   19   31   24 o  666.949   42.295   10.798   1.2814   9.4851   1.4644   15.089   2.6472  596.467   47.753  737.431   69.823 -140.9645 84.59090 
1 1 1   19   31   26 o  674.347   52.051   12.788   1.7476   12.757   2.2196   12.839   2.8348  680.831   63.412  667.863   82.559 12.96753 104.1015 
1 1 1   19   31   28 o  260.716   48.099   2.1894   0.6524   2.5581   0.7429   0.9478   1.3633  309.147   46.743  212.285   84.079 96.86253 96.19876 
1 1 1   19   31   30 o  522.869   45.707   6.9366   1.0472   6.3470   1.1830   9.0709   2.2507  485.828   47.363  559.909   78.187 -74.08200 91.41367 
1 1 1   19   31   32 o  175.462   62.643   0.7831   0.7141   0.7831   0.7141   0.0000   0.0000  175.462   62.643  ?   ?       ?      ? 
1 1 1   19   31   34 o  194.264   43.383   1.0592   0.4469   1.0875   0.5128   0.9696   0.9109  195.734   50.591  192.793   70.490 2.940765 86.76630 
1 1 1   19   31   36 o  944.572   81.624   27.386   3.9639   0.0000   0.0000   27.386   3.9639  ?   ?   944.572   81.624      ?      ? 
1 1 1   19   31   38 o  398.335   55.101   5.5026   0.9243   6.0301   1.0634   3.8721   1.8697  469.407   44.062  327.262  101.009 142.1448 110.2010 
1 1 1   19   31   40 o  397.535   55.171   5.6150   0.9459   6.2241   1.1009   3.8968   1.8491  473.830   45.191  321.239  100.664 152.5916 110.3426 
1 1 1   19   31   42 o  430.602   59.328   7.2991   1.0914   8.2632   1.2614   4.4291   2.1764  542.571   45.220  318.632  109.701 223.9392 118.6558 
1 1 1   19   32    1 o  139.882   35.332   0.4328   0.3235   0.5566   0.4701   0.3214   0.4458  150.467   50.999  129.297   48.915 21.17075 70.66491 
1 1 1   19   32    3 o  901.245   42.290   21.494   1.9525   22.432   2.9083   20.724   2.6345  918.205   61.608  884.284   57.949 33.92029 84.57903 
1 1 1   19   32    5 o  913.711   38.403   22.286   1.7806   23.955   2.3968   20.230   2.6601  954.664   48.833  872.758   59.284 81.90582 76.80641 
1 1 1   19   32    7 o  276.736   43.514   2.1149   0.6034   2.2631   0.8608   1.9717   0.8461  286.677   60.313  266.794   62.738 19.88220 87.02711 
1 1 1   19   32    9 o  249.952   36.498   1.7710   0.4600   2.3728   0.6248   1.0586   0.6798  301.331   40.332  198.574   60.843 102.7569 72.99627 
1 1 1   19   32   11 o  1074.55   42.210   30.250   2.3319   30.250   2.3319   0.0000   0.0000  1074.55   42.210  ?   ?       ?      ? 
1 1 1   19   32   13 o  526.894   36.232   7.4386   0.9684   6.3255   1.4054   8.4450   1.3362  487.386   56.085  566.403   45.887 -79.01764 72.46477 
1 1 1   19   32   15 o  437.166   35.761   5.0670   0.7938   6.1441   1.1504   4.0879   1.0968  482.592   46.365  391.740   54.458 90.85175 71.52164 
1 1 1   19   32   17 o  418.181   34.687   4.6451   0.7432   4.2013   1.0478   5.0945   1.0544  397.452   51.275  438.910   46.728 -41.45792 69.37359 
1 1 1   19   32   19 o  963.774   32.990   24.571   1.6331   23.418   2.2523   25.848   2.3714  940.025   46.603  987.522   46.708 -47.49664 65.98091 
1 1 1   19   32   21 o  385.128   34.541   3.9402   0.6808   3.4529   0.9368   4.4857   0.9912  359.445   50.692  410.810   46.932 -51.36536 69.08143 
1 1 1   19   32   23 o  786.614   53.368   19.173   1.7096   20.861   1.9696   14.017   3.4428  887.186   43.182  686.042   97.610 201.1445 106.7353 
1 1 1   19   32   25 o  215.153   49.297   1.2822   0.6713   1.8079   0.8654   0.4877   1.0638  251.005   66.133  179.302   73.125 71.70247 98.59424 
1 1 1   19   32   27 o  232.761   42.952   1.0237   0.5161   0.3928   0.5946   2.9524   1.0396  144.160   55.989  321.363   65.150 -177.2029 85.90324 
1 1 1   19   32   29 o  289.662   49.143   2.5861   0.6561   2.7691   0.7461   1.9625   1.3776  321.470   45.143  257.853   87.305 63.61707 98.28558 
1 1 1   19   32   31 o  213.794   69.831   1.3010   0.8830   1.3010   0.8830   0.0000   0.0000  213.794   69.831  ?   ?       ?      ? 
1 1 1   19   32   33 o  309.098   51.890   2.9811   0.7468   3.1399   0.8592   2.4909   1.5099  339.019   49.295  279.177   91.325 59.84167 103.7795 
1 1 1   19   32   35 o  365.909   55.421   4.9557   0.9131   5.6861   1.0407   2.5135   1.9030  457.420   44.254  274.398  101.624 183.0217 110.8416 
1 1 1   19   32   37 o  155.348   43.621   0.3392   0.4059   0.2090   0.4443   0.9970   0.9985  117.478   47.496  193.218   73.181 -75.74064 87.24294 
1 1 1   19   32   39 o  338.574   51.075   3.1497   0.7453   2.7843   0.8386   4.5228   1.6256  313.283   52.064  363.866   87.885 -50.58371 102.1491 
1 1 1   19   32   41 o  172.404   44.158   0.5868   0.4362   0.3361   0.4914   1.5179   0.9470  128.329   50.589  216.480   72.392 -88.15088 88.31640 
1 1 1   19   33    0 o  131.963   51.488   0.5721   0.4616   0.4636   0.5416   0.8601   0.8823  113.364   62.964  150.562   81.483 -0.000000 0.000000 
1 1 1   19   33    2 o  135.649   33.715   0.4103   0.2938   0.5685   0.4389   0.2818   0.3956  149.762   49.251  121.536   46.055 28.22670 67.42900 
1 1 1   19   33    4 o  1406.63   33.642   52.116   2.4258   51.127   3.5489   52.983   3.3233  1392.71   49.563  1420.54   45.503 -27.82422 67.28361 
1 1 1   19   33    6 o  863.120   31.689   19.608   1.4006   20.222   1.9167   18.905   2.0515  878.586   42.433  847.654   47.075 30.93127 63.37712 
1 1 1   19   33    8 o  185.050   35.054   0.9339   0.3393   0.9467   0.5036   0.9232   0.4591  186.263   51.064  183.838   48.037 2.425385 70.10810 
1 1 1   19   33   10 o  407.365   38.065   4.0560   0.7412   2.8303   0.9124   6.4349   1.2711  321.483   57.302  493.247   50.123 -171.7639 76.13061 
1 1 1   19   33   12 o  453.748   36.244   5.4605   0.8424   5.4734   1.2458   5.4496   1.1435  453.638   53.414  453.858   49.004 -0.2203064 72.48771 
1 1 1   19   33   14 o  441.543   32.711   5.2245   0.7299   5.7188   0.9798   4.6079   1.0942  466.668   40.837  416.417   51.110 50.25040 65.42101 
1 1 1   19   33   16 o  547.288   34.281   7.9494   0.9644   8.1488   1.3688   7.7529   1.3590  554.258   48.036  540.317   48.922 13.94104 68.56259 
1 1 1   19   33   18 o  175.223   37.796   0.8292   0.3743   0.7030   0.5366   0.9488   0.5222  164.737   54.471  185.710   52.411 -20.97256 75.59101 
1 1 1   19   33   20 o  531.192   34.507   7.5368   0.9411   7.7621   1.3114   7.2976   1.3513  539.998   47.237  522.385   50.315 17.61346 69.01408 
1 1 1   19   33   22 o  500.670   34.012   6.6772   0.8684   5.6010   1.1937   7.8871   1.2657  456.834   50.824  544.507   45.212 -87.67249 68.02328 
1 1 1   19   33   24 o  209.572   47.096   1.2419   0.6487   1.8442   0.7905   0.0000   1.1351  254.615   61.152  164.528   71.642 90.08711 94.19191 
1 1 1   19   33   26 o  380.752   34.413   3.8593   0.6678   3.2181   0.9012   4.6402   0.9945  345.283   50.766  416.221   46.475 -70.93835 68.82639 
1 1 1   19   33   28 o  170.563   40.124   0.8060   0.4188   0.2532   0.8132   1.0056   0.4886  151.657   63.095  189.470   49.585 -37.81308 80.24756 
1 1 1   19   33   30 o  409.487   49.977   4.8081   1.0158   6.0402   1.5150   3.8016   1.3692  463.403   63.588  355.571   77.120 107.8321 99.95485 
1 1 1   19   33   32 o  425.335   35.896   5.0591   0.7665   5.8299   1.0423   4.1512   1.1312  464.838   43.614  385.831   57.025 79.00775 71.79149 
1 1 1   19   33   34 o  278.061   49.572   2.3904   0.6513   2.4868   0.7417   2.0654   1.3616  301.043   47.921  255.080   86.794 45.96275 99.14460 
1 1 1   19   33   36 o  112.538   32.124   0.1692   0.2938   0.3223   0.4054   0.0000   0.4262  122.719   46.596  102.357   44.234 20.36282 64.24773 
1 1 1   19   33   38 o  387.143   38.083   4.1843   0.7219   3.1193   0.9459   5.6698   1.1171  324.245   58.909  450.040   48.280 -125.7947 76.16566 
1 1 1   19   33   40 o  362.175   36.906   3.7808   0.6840   3.3724   0.9592   4.2033   0.9757  340.235   54.835  384.116   49.409 -43.88010 73.81117 
1 1 1   19   34    1 o  400.126   34.904   4.2295   0.7176   4.1776   1.0284   4.2787   1.0018  397.524   50.321  402.729   48.385 -5.205078 69.80899 
1 1 1   19   34    3 o  524.612   34.735   7.3445   0.9258   6.2817   1.3380   8.3210   1.2824  486.510   53.491  562.714   44.328 -76.20386 69.47092 
1 1 1   19   34    5 o  510.950   31.857   6.8301   0.8345   6.3286   1.1304   7.4307   1.2371  490.512   44.823  531.388   45.282 -40.87546 63.71474 
1 1 1   19   34    7 o  740.651   31.859   14.405   1.2112   13.809   1.6562   15.090   1.7758  724.454   44.467  756.847   45.637 -32.39246 63.71872 
1 1 1   19   34    9 o  551.089   40.072   8.2387   1.1164   9.2667   1.5198   7.0341   1.6452  591.331   49.990  510.847   62.642 80.48462 80.14363 
1 1 1   19   34   11 o  358.666   33.448   3.3452   0.6065   3.7143   0.9671   3.1060   0.7786  374.035   50.289  343.297   44.114 30.73764 66.89606 
1 1 1   19   34   13 o  810.639   32.123   17.446   1.3284   18.100   1.7931   16.651   1.9777  829.139   42.064  792.140   48.560 36.99896 64.24545 
1 1 1   19   34   15 o  230.768   40.439   1.4517   0.4768   1.8214   0.7308   1.1775   0.6292  255.580   57.059  205.956   57.321 49.62390 80.87894 
1 1 1   19   34   17 o  809.512   34.172   17.451   1.4195   18.884   2.0289   16.077   1.9867  842.937   46.815  776.087   49.792 66.84924 68.34410 
1 1 1   19   34   19 o  334.255   38.672   3.0834   0.6310   2.2062   0.8761   4.0291   0.9096  279.173   62.585  389.337   45.444 -110.1640 77.34315 
1 1 1   19   34   21 o  261.814   39.208   1.9276   0.5215   2.3987   0.7241   1.4197   0.7518  299.741   46.987  223.887   62.779 75.85352 78.41518 
1 1 1   19   34   23 o  343.443   52.503   2.9140   0.9191   1.5750   1.1190   5.6904   1.6113  236.159   78.684  450.727   69.533 -214.5683 105.0053 
1 1 1   19   34   25 o  407.215   34.533   4.4394   0.7196   3.8898   0.9822   5.0765   1.0574  379.579   50.330  434.850   47.297 -55.27045 69.06606 
1 1 1   19   34   27 o  128.202   37.894   0.1925   0.3569   0.0000   0.8012   0.2402   0.3986  139.340   60.431  117.064   45.739 22.27636 75.78842 
1 1 1   19   34   29 o  403.619   38.514   4.3002   0.7760   3.7638   0.9670   5.2702   1.3004  371.522   50.628  435.716   58.052 -64.19354 77.02724 
1 1 1   19   34   31 o  402.322   35.025   4.4637   0.7176   4.8018   0.9786   4.0705   1.0554  420.969   45.215  383.675   53.504 37.29364 70.05051 
1 1 1   19   34   33 o  622.591   35.526   10.891   1.1122   12.730   1.5299   8.8303   1.6196  684.778   43.456  560.404   56.214 124.3740 71.05190 
1 1 1   19   34   35 o  279.356   44.190   1.8742   0.6371   4.0714   1.1620   0.9297   0.7619  375.832   60.135  182.881   64.768 192.9505 88.38071 
1 1 1   19   34   37 o  205.572   39.276   1.2181   0.4326   0.8645   0.5765   1.6742   0.6547  173.162   56.417  237.982   54.659 -64.81924 78.55257 
1 1 1   19   34   39 o  220.005   38.703   1.4290   0.4367   1.1602   0.5808   1.7784   0.6622  196.137   55.242  243.872   54.222 -47.73561 77.40564 
1 1 1   19   35    0 o  213.864   53.900   1.7630   0.6968   2.5476   0.8809   0.4515   1.1389  291.128   67.672  136.601   83.913 -0.000000 0.000000 
1 1 1   19   35    2 o  778.400   34.137   15.982   1.3612   17.960   1.9775   14.200   1.8766  824.797   46.634  732.003   49.865 92.79388 68.27330 
1 1 1   19   35    4 o  239.149   39.039   1.5764   0.4684   1.6647   0.7005   1.5049   0.6300  244.941   56.739  233.358   53.635 11.58263 78.07711 
1 1 1   19   35    6 o  566.547   45.679   7.9719   1.1089   7.4280   1.2432   10.090   2.4530  530.485   45.582  602.608   79.175 -72.12299 91.35858 
1 1 1   19   35    8 o  320.790   54.717   2.9502   0.8219   2.9729   0.9624   2.8890   1.5802  328.106   59.230  313.474   92.021 14.63248 109.4348 
1 1 1   19   35   10 o  162.940   33.924   0.6961   0.3108   0.9525   0.4560   0.4736   0.4248  186.093   47.501  139.787   48.447 46.30623 67.84869 
1 1 1   19   35   12 o  577.650   36.271   9.0191   1.0610   7.9728   1.5787   9.8811   1.4329  544.478   56.397  610.822   45.627 -66.34467 72.54230 
1 1 1   19   35   14 o  188.894   36.569   0.9942   0.3696   1.1560   0.5021   0.8029   0.5459  204.499   48.490  173.289   54.754 31.21031 73.13831 
1 1 1   19   35   16 o  625.671   35.386   10.462   1.1375   10.663   1.6437   10.277   1.5759  631.140   50.656  620.201   49.422 10.93933 70.77148 
1 1 1   19   35   18 o  380.425   38.885   4.0212   0.7234   3.1507   1.0393   4.8395   1.0077  334.565   62.724  426.286   45.978 -91.72128 77.77048 
1 1 1   19   35   20 f  278.226   38.272   2.1458   0.5343   2.4793   0.7497   1.8014   0.7618  304.345   47.910  252.107   59.695 52.23814 76.54317 
1 1 1   19   35   22 o  273.641   49.848   2.2997   0.6650   2.5096   0.7572   1.5914   1.3911  305.790   48.163  241.492   87.290 64.29843 99.69503 
1 1 1   19   35   24 f  270.146   38.323   2.0197   0.5217   1.4097   0.7145   2.7165   0.7636  222.181   60.786  318.111   46.687 -95.92978 76.64602 
1 1 1   19   35   26 o  382.421   51.091   4.3259   0.9686   3.5223   1.4243   5.0172   1.3211  339.823   82.377  425.019   60.459 -85.19626 102.1825 
1 1 1   19   35   28 o  206.891   43.649   1.2235   0.4944   1.2052   0.6437   1.2498   0.7719  205.094   58.293  208.687   64.983 -3.592697 87.29713 
1 1 1   19   35   30 o  569.990   34.752   8.8545   1.0159   8.0992   1.3879   9.7263   1.4910  543.554   49.665  596.426   48.625 -52.87189 69.50493 
1 1 1   19   35   32 o  365.127   38.510   3.7317   0.6984   3.0488   0.9455   4.5519   1.0362  324.244   58.889  406.010   49.641 -81.76678 77.01983 
1 1 1   19   35   34 f  415.129   60.501   5.9381   1.2166   6.8316   1.5292   4.3976   2.0080  485.554   61.257  344.704  104.352 140.8493 121.0028 
1 1 1   19   35   36 o  217.355   41.618   1.4375   0.4818   1.6492   0.6586   1.1936   0.7068  235.745   55.294  198.965   62.216 36.78011 83.23639 
1 1 1   19   35   38 o  196.822   41.382   1.1843   0.4453   1.2153   0.5714   1.1362   0.7107  201.049   54.096  192.595   62.637 8.454453 82.76350 
1 1 1   19   36    1 o  696.445   33.955   12.846   1.2148   13.588   1.7475   12.151   1.6900  716.146   47.461  676.744   48.571 39.40204 67.90974 
1 1 1   19   36    3 o  437.698   35.437   5.1289   0.7904   4.7636   1.1705   5.4350   1.0715  422.120   53.936  453.276   45.978 -31.15564 70.87394 
1 1 1   19   36    5 o  617.210   52.633   11.056   1.4684   11.797   1.7525   9.3097   2.6905  665.336   51.232  569.085   91.958 96.25092 105.2663 
1 1 1   19   36    7 o  691.598   48.753   12.854   1.5872   12.441   1.8878   13.851   2.9315  681.632   53.868  701.564   81.275 -19.93237 97.50552 
1 1 1   19   36    9 o  936.591   29.675   23.065   1.4262   24.308   2.0982   21.998   1.9444  959.643   42.527  913.539   41.399 46.10400 59.34959 
1 1 1   19   36   11 o  516.407   30.960   7.0619   0.8200   6.9912   1.1979   7.1242   1.1249  513.424   45.382  519.390   42.126 -5.965393 61.92005 
1 1 1   19   36   13 o  870.741   35.278   20.213   1.5748   21.001   2.3321   19.553   2.1352  885.382   51.232  856.101   48.511 29.28125 70.55544 
1 1 1   19   36   15 o  795.638   51.452   19.082   1.7881   14.623   3.3303   20.888   2.1195  705.856   91.768  885.420   46.559 -179.5640 102.9039 
1 1 1   19   36   17 o  537.919   35.617   7.7568   0.9761   9.1974   1.4174   6.4573   1.3462  586.848   46.978  488.989   53.548 97.85928 71.23401 
1 1 1   19   36   19 o  389.819   36.802   4.1420   0.7286   3.5323   1.0502   4.7080   1.0118  360.133   56.718  419.506   46.912 -59.37292 73.60487 
1 1 1   19   36   21 o  371.373   55.699   4.9157   0.9616   5.8766   1.1177   2.1780   1.8865  468.379   46.414  274.368  101.268 194.0110 111.3974 
1 1 1   19   36   23 o  170.267   55.881   0.7764   0.5652   0.0000   0.0000   0.7764   0.5652  ?   ?   170.267   55.881      ?      ? 
1 1 1   19   36   25 o  223.383   50.408   1.3941   0.6418   1.7102   1.0286   1.1926   0.8213  240.831   75.017  205.935   67.352 34.89674 100.8159 
1 1 1   19   36   27 o  143.564   36.546   0.4397   0.3593   0.7681   0.5289   0.1585   0.4895  167.631   53.993  119.497   49.268 48.13349 73.09288 
1 1 1   19   36   29 o  192.572   39.987   1.0691   0.4269   0.8758   0.6280   1.2352   0.5821  177.920   58.930  207.223   54.065 -29.30367 79.97316 
1 1 1   19   36   31 o  312.060   41.431   2.8785   0.6379   3.6884   0.8885   2.0171   0.9164  366.506   47.152  257.614   68.138 108.8926 82.86247 
1 1 1   19   36   33 o  689.360   56.896   14.688   1.9275   14.088   2.3950   15.791   3.2476  688.053   67.703  690.667   91.460 -2.613708 113.7919 
1 1 1   19   36   35 o  213.570   45.211   1.1622   0.5196   2.2068   0.9492   0.7153   0.6208  264.514   69.055  162.626   58.373 101.8881 90.42140 
1 1 1   19   36   37 o  206.544   41.370   1.0689   0.5582   0.0000   0.7419   2.4634   0.8474  129.214   57.035  283.873   59.941 -154.6588 82.74043 
1 1 1   19   37    0 o  858.798   50.342   19.540   2.1321   22.256   3.5061   17.946   2.6857  901.985   76.892  815.610   64.998 0.000000 0.000000 
1 1 1   19   37    2 o  664.301   50.038   12.384   1.5037   12.642   1.7695   11.714   2.8531  688.534   49.986  640.068   86.699 48.46545 100.0762 
1 1 1   19   37    4 o  272.668   51.183   2.1425   0.6748   2.1953   0.7837   1.9910   1.3272  281.180   56.175  264.155   85.576 17.02417 102.3663 
1 1 1   19   37    6 o  451.308   36.546   5.4915   0.8397   5.0697   1.2448   5.8436   1.1374  433.805   55.815  468.811   47.191 -35.00558 73.09118 
1 1 1   19   37    8 o  693.154   32.673   12.721   1.1622   11.909   1.5886   13.656   1.7049  669.468   46.154  716.840   46.260 -47.37213 65.34679 
1 1 1   19   37   10 o  593.675   30.843   9.3832   0.9352   8.8883   1.3804   9.8030   1.2715  577.942   46.456  609.408   40.582 -31.46606 61.68511 
1 1 1   19   37   12 o  205.812   39.535   1.1754   0.4173   1.1952   0.6998   1.1644   0.5198  206.959   61.366  204.665   49.862 2.294312 79.06947 
1 1 1   19   37   14 o  386.169   37.477   4.0520   0.7374   3.6916   1.0824   4.3641   1.0074  368.560   57.124  403.779   48.528 -35.21887 74.95416 
1 1 1   19   37   16 o  239.193   38.798   1.5995   0.4649   1.5287   0.6234   1.6883   0.6977  233.645   53.104  244.740   56.580 -11.09430 77.59689 
1 1 1   19   37   18 o  177.109   38.950   0.8107   0.3961   1.1520   0.6122   0.5650   0.5195  202.416   56.612  151.803   53.512 50.61272 77.89961 
1 1 1   19   37   20 o  348.846   47.915   3.1178   0.7508   2.6469   0.8693   4.5013   1.4899  306.809   57.214  390.882   76.876 -84.07294 95.82973 
1 1 1   19   37   22 o  304.748   67.225   2.7022   1.0250   0.0000   0.0000   2.7022   1.0250  ?   ?   304.748   67.225      ?      ? 
1 1 1   19   37   24 o  297.086   42.631   2.6609   0.6166   3.1426   0.7874   1.8973   0.9913  341.716   44.818  252.455   72.533 89.26154 85.26249 
1 1 1   19   37   26 o  170.231   39.257   0.7763   0.4057   1.0336   0.5731   0.5177   0.5745  190.596   55.262  149.865   55.771 40.73097 78.51315 
1 1 1   19   37   28 o  122.219   34.240   0.2569   0.3200   0.3184   0.4246   0.1761   0.4867  124.573   47.593  119.865   49.238 4.708115 68.47991 
1 1 1   19   37   30 o  292.832   39.939   2.4796   0.5789   2.3864   0.7962   2.5842   0.8431  287.161   55.944  298.502   57.016 -11.34174 79.87801 
1 1 1   19   37   32 o  265.280   52.964   2.3581   0.7092   2.5187   0.7978   1.7536   1.5482  294.513   54.702  236.047   90.711 58.46579 105.9285 
1 1 1   19   37   34 o  417.073   36.894   4.9641   0.7886   5.1536   1.0900   4.7561   1.1424  427.393   49.605  406.753   54.627 20.64011 73.78880 
1 1 1   19   37   36 o  131.173   35.312   0.3879   0.3333   0.5208   0.4763   0.2603   0.4664  141.165   51.070  121.180   48.780 19.98524 70.62301 
1 1 1   19   38    1 o  449.506   64.835   6.0589   1.4473   6.7171   2.0417   5.3939   2.0521  478.324   86.192  420.687   96.878 57.63699 129.6707 
1 1 1   19   38    3 o  301.571   56.565   2.6851   0.9975   4.1946   1.3753   1.0097   1.4488  382.973   72.503  220.168   86.843 162.8046 113.1296 
1 1 1   19   38    5 o  311.262   49.626   2.5912   0.6926   3.1988   1.3975   2.3934   0.7974  328.696   82.752  293.828   54.800 34.86743 99.25155 
1 1 1   19   38    7 o  303.055   41.463   2.6765   0.6155   1.8159   0.9321   3.3421   0.8196  251.508   69.682  354.602   44.958 -103.0935 82.92655 
1 1 1   19   38    9 o  253.326   40.913   1.8391   0.5069   1.6512   0.8445   1.9449   0.6338  240.477   66.206  266.176   48.085 -25.69841 81.82533 
1 1 1   19   38   11 o  143.995   35.177   0.4864   0.3476   0.0000   0.5628   0.7864   0.4420  118.791   51.081  169.199   48.379 -50.40805 70.35477 
1 1 1   19   38   13 o  476.959   32.521   6.1442   0.7848   5.0044   1.1218   7.2366   1.0983  431.255   50.597  522.663   40.872 -91.40845 65.04285 
1 1 1   19   38   15 o  306.965   51.784   2.9003   0.7036   3.0632   0.7872   2.2528   1.5694  338.703   45.204  275.227   93.183 63.47668 103.5685 
1 1 1   19   38   17 o  409.853   46.742   4.6078   0.9011   5.1531   1.5987   4.3539   1.0909  419.159   77.026  400.548   52.975 18.61005 93.48460 
1 1 1   19   38   19 o  378.215   68.214   4.4823   1.3262   3.9371   1.7679   5.1839   2.0054  352.480   95.280  403.950   97.644 -51.46997 136.4280 
1 1 1   19   38   21 o  247.460   65.542   1.7865   0.8471   0.0000   0.0000   1.7865   0.8471  ?   ?   247.460   65.542      ?      ? 
1 1 1   19   38   23 o  245.115   39.694   1.7092   0.4939   1.3009   0.6780   2.1707   0.7209  212.521   59.628  277.710   52.410 -65.18944 79.38712 
1 1 1   19   38   25 o  462.003   36.442   5.9532   0.8505   6.8289   1.1706   4.9739   1.2379  501.929   45.362  422.078   57.047 79.85181 72.88423 
1 1 1   19   38   27 o  428.669   37.543   5.1469   0.8197   5.6958   1.1355   4.5497   1.1845  455.399   48.500  401.938   57.319 53.46136 75.08522 
1 1 1   19   38   29 o  535.621   36.022   7.9301   0.9856   6.8037   1.3386   9.2640   1.4567  492.824   52.831  578.418   48.984 -85.59406 72.04483 
1 1 1   19   38   31 o  350.027   37.242   3.4427   0.6683   3.1556   0.9068   3.7839   0.9887  334.075   52.793  365.979   52.544 -31.90408 74.48479 
1 1 1   19   38   33 f  208.854   46.061   1.2941   0.5553   1.7751   0.8465   0.9307   0.7358  237.788   66.591  179.919   63.658 57.86966 92.12296 
1 1 1   19   38   35 o  159.249   39.004   0.7149   0.3987   0.9006   0.5415   0.4950   0.5892  174.002   54.468  144.495   55.844 29.50786 78.00835 
1 1 1   19   39    0 o  287.235   67.536   2.8180   0.8651   2.7288   1.0794   2.9782   1.4464  289.667   83.558  284.804  106.126 -0.000000 0.000000 
1 1 1   19   39    2 o  483.490   63.521   6.9346   1.5423   6.2611   2.1750   7.6157   2.1873  452.360   96.465  514.620   82.669 -62.26004 127.0421 
1 1 1   19   39    4 o  493.898   60.867   8.7154   1.2318   4.2534   2.3353   10.435   1.4499  361.678  113.095  626.118   45.042 -264.4398 121.7343 
1 1 1   19   39    6 o  292.915   41.071   2.3808   0.5918   2.3560   0.9487   2.3966   0.7571  286.863   65.734  298.967   49.258 -12.10345 82.14147 
1 1 1   19   39    8 o  478.335   37.398   6.1933   0.9080   6.0818   1.3899   6.2762   1.1993  472.617   57.202  484.052   48.192 -11.43463 74.79674 
1 1 1   19   39   10 o  622.330   30.885   10.277   0.9859   11.309   1.4340   9.3508   1.3576  652.339   42.756  592.320   44.581 60.01892 61.77001 
1 1 1   19   39   12 o  763.948   30.475   15.499   1.1955   16.302   1.7429   14.785   1.6430  782.468   43.325  745.429   42.870 37.03833 60.95031 
1 1 1   19   39   14 o  313.271   38.190   2.7980   0.5806   3.5291   0.7991   1.9806   0.8449  364.011   42.700  262.530   63.329 101.4809 76.37994 
1 1 1   19   39   16 o  203.479   40.499   1.1950   0.4982   0.3358   0.7742   1.8024   0.6510  153.112   62.404  253.846   51.637 -100.7339 80.99780 
1 1 1   19   39   18 o  201.124   73.558   1.0389   0.9920   1.0389   0.9920   0.0000   0.0000  201.124   73.558  ?   ?       ?      ? 
1 1 1   19   39   20 o  168.936   43.804   0.6889   0.4910   0.7226   0.7747   0.6663   0.6348  173.946   64.758  163.927   59.005 10.01891 87.60820 
1 1 1   19   39   22 o  399.292   36.877   4.3786   0.7567   4.5438   1.0798   4.2192   1.0609  406.959   51.606  391.625   52.691 15.33334 73.75337 
1 1 1   19   39   24 o  510.518   35.707   7.1637   0.9351   6.5490   1.3041   7.8139   1.3414  486.923   52.095  534.112   48.849 -47.18982 71.41469 
1 1 1   19   39   26 o  646.310   35.729   11.519   1.1850   10.782   1.6188   12.370   1.7394  624.190   50.443  668.430   50.614 -44.24017 71.45823 
1 1 1   19   39   28 o  156.674   38.627   0.6375   0.3923   0.8567   0.5474   0.4060   0.5626  173.480   54.829  139.869   54.424 33.61084 77.25378 
1 1 1   19   39   30 o  239.339   43.013   1.7290   0.5488   2.3374   0.7873   1.1541   0.7653  281.873   56.295  196.804   65.048 85.06821 86.02579 
1 1 1   19   39   32 o  217.596   41.689   1.3473   0.4974   2.1491   0.7770   0.7906   0.6475  267.120   58.219  168.073   59.688 99.04655 83.37881 
1 1 1   19   40    1 o  623.728   35.554   10.462   1.1399   10.761   1.6311   10.176   1.5935  632.510   50.158  614.945   50.403 17.56494 71.10780 
1 1 1   19   40    3 o  594.024   36.008   9.5439   1.0947   8.7555   1.5730   10.284   1.5243  568.550   53.813  619.499   47.858 -50.94861 72.01611 
1 1 1   19   40    5 o  303.958   41.005   2.6623   0.6142   1.8576   0.9026   3.3562   0.8382  253.540   67.889  354.376   46.006 -100.8361 82.00905 
1 1 1   19   40    7 f  426.219   38.008   4.9396   0.8243   4.8249   1.2481   5.0282   1.0977  420.089   57.789  432.348   49.384 -12.25922 76.01544 
1 1 1   19   40    9 o  182.868   37.490   0.9309   0.3753   1.0458   0.5193   0.8052   0.5430  193.344   51.367  172.393   54.620 20.95041 74.97977 
1 1 1   19   40   11 o  702.332   30.730   13.145   1.1076   13.408   1.6220   12.916   1.5161  708.255   44.545  696.409   42.344 11.84540 61.45953 
1 1 1   19   40   13 o  476.393   38.948   6.1713   0.9418   6.4004   1.4613   6.0086   1.2318  481.838   58.988  470.948   50.874 10.89023 77.89562 
1 1 1   19   40   15 o  177.397   39.685   0.8620   0.4370   0.3440   0.6816   1.2236   0.5695  146.794   59.012  207.999   53.076 -61.20529 79.36934 
1 1 1   19   40   17 o  300.550   46.827   2.4393   0.7236   2.4393   0.7236   0.0000   0.0000  300.550   46.827  ?   ?       ?      ? 
1 1 1   19   40   19 o  282.829   47.683   2.1639   0.6450   3.0199   1.1727   1.7927   0.7723  317.226   73.364  248.433   60.931 68.79243 95.36700 
1 1 1   19   40   21 o  329.665   41.018   3.1191   0.6594   4.3413   0.9561   2.0106   0.9106  399.675   46.530  259.655   67.563 140.0197 82.03533 
1 1 1   19   40   23 o  488.369   36.855   6.6034   0.9251   6.8027   1.3280   6.4154   1.2893  495.520   52.129  481.219   52.112 14.30127 73.70950 
1 1 1   19   40   25 o  256.489   43.932   1.9527   0.5734   1.7832   0.7914   2.1400   0.8321  244.336   62.690  268.642   61.563 -24.30598 87.86401 
1 1 1   19   40   27 o  413.214   38.624   4.8708   0.8111   5.5541   1.1353   4.1584   1.1591  446.491   49.455  379.936   59.341 66.55429 77.24724 
1 1 1   19   40   29 o  239.645   42.280   1.7814   0.5380   2.3005   0.7330   1.1751   0.7921  281.393   52.603  197.897   66.206 83.49583 84.55965 
1 1 1   19   40   31 o  294.704   58.640   2.6956   0.9159   1.8111   1.1257   4.4270   1.5751  232.862   78.921  356.547   86.752 -123.6850 117.2791 
1 1 1   19   41    0 o  448.680   62.226   5.5358   1.2193   8.3212   2.1254   4.1693   1.4887  535.651   83.142  361.708   92.606 0.000000 0.000000 
1 1 1   19   41    2 o  659.506   36.305   11.787   1.2276   11.305   1.7774   12.226   1.6974  645.145   53.588  673.868   48.995 -28.72290 72.61007 
1 1 1   19   41    4 o  455.470   36.618   5.6434   0.8518   5.3152   1.2530   5.9254   1.1616  441.531   55.197  469.410   48.132 -27.87970 73.23502 
1 1 1   19   41    6 o  300.092   41.508   2.5207   0.6155   2.8900   0.9201   2.2216   0.8281  320.568   57.960  279.615   59.434 40.95346 83.01680 
1 1 1   19   41    8 o  523.134   42.392   7.5461   1.1310   6.3804   1.5649   8.8206   1.6363  478.623   63.597  567.645   56.068 -89.02219 84.78307 
1 1 1   19   41   10 o  806.027   37.711   17.713   1.5417   17.684   2.3760   17.733   2.0261  801.588   57.654  810.467   48.626 -8.879883 75.42171 
1 1 1   19   41   12 o  629.527   43.264   11.034   1.3933   9.7486   1.9502   12.374   1.9914  589.508   64.345  669.545   57.851 -80.03662 86.52795 
1 1 1   19   41   14 o  167.453   38.563   0.7583   0.3815   0.8058   0.5293   0.7070   0.5503  171.269   53.887  163.638   55.179 7.630325 77.12701 
1 1 1   19   41   16 o  387.023   58.800   5.4245   0.9578   5.9984   1.0672   3.0495   2.1712  472.072   43.972  301.974  109.069 170.0982 117.5991 
1 1 1   19   41   18 o  338.875   42.258   3.2162   0.7135   3.9803   1.0750   2.6146   0.9539  378.835   55.194  298.914   64.003 79.92111 84.51518 
1 1 1   19   41   20 o  825.668   36.838   18.829   1.5626   19.238   2.2629   18.456   2.1603  833.439   52.811  817.898   51.374 15.54169 73.67693 
1 1 1   19   41   22 o  169.018   38.506   0.7975   0.3822   0.7020   0.5597   0.8809   0.5231  161.926   55.638  176.110   53.248 -14.18433 77.01270 
1 1 1   19   41   24 o  281.084   40.703   2.4002   0.5924   1.1184   0.8440   3.6452   0.8318  197.075   68.287  365.093   44.314 -168.0173 81.40596 
1 1 1   19   41   26 o  428.131   37.828   5.2038   0.8300   5.4720   1.1537   4.9160   1.1950  441.524   50.824  414.739   56.042 26.78473 75.65562 
1 1 1   19   41   28 o  139.213   36.745   0.4612   0.3571   0.3312   0.5167   0.5801   0.4940  130.623   51.753  147.802   52.176 -17.17941 73.48939 
1 1 1   19   41   30 o  361.031   63.179   4.8578   1.1825   5.4858   1.5139   3.8752   1.8937  412.331   74.140  309.731  102.321 102.6004 126.3574 
1 1 1   19   42    1 o  200.288   44.711   1.0948   0.5254   1.4517   0.7656   0.7770   0.7223  224.670   63.478  175.906   62.983 48.76453 89.42216 
1 1 1   19   42    3 o  263.098   50.542   2.0069   0.6890   2.2267   1.1030   1.8662   0.8822  273.174   75.844  253.022   66.826 20.15176 101.0839 
1 1 1   19   42    5 o  152.354   39.542   0.5242   0.4184   0.2487   0.6287   0.7432   0.5605  137.467   56.155  167.241   55.686 -29.77319 79.08487 
1 1 1   19   42    7 o  325.150   45.872   3.1194   0.7456   4.0700   1.0311   2.0775   1.0795  386.585   51.878  263.715   75.668 122.8700 91.74458 
1 1 1   19   42    9 o  528.534   41.382   8.1100   1.0476   9.1722   1.3307   6.3788   1.6988  584.465   44.286  472.603   69.918 111.8619 82.76313 
1 1 1   19   42   11 o  225.436   38.652   1.4461   0.4420   1.4160   0.5988   1.4822   0.6552  223.324   52.959  227.547   56.312 -4.223083 77.30301 
1 1 1   19   42   13 f  274.777   36.217   2.1163   0.4918   3.0036   0.7177   1.3310   0.6752  334.746   41.702  214.808   59.225 119.9389 72.43418 
1 1 1   19   42   15 o  372.189   48.945   4.5673   0.8293   5.5453   1.0235   2.6978   1.4151  453.288   43.916  291.089   87.485 162.1991 97.88933 
1 1 1   19   42   17 o  387.257   48.817   4.3955   0.8835   4.4243   1.5477   4.3816   1.0761  376.460   82.263  398.054   52.584 -21.59372 97.63382 
1 1 1   19   42   19 o  441.625   35.433   5.3864   0.8028   5.4700   1.1060   5.2934   1.1669  446.380   48.195  436.869   51.954 9.510651 70.86594 
1 1 1   19   42   21 f  313.938   42.018   2.8096   0.6557   4.0013   0.9883   1.8729   0.8762  379.531   50.650  248.345   67.057 131.1865 84.03581 
1 1 1   19   42   23 o  367.523   40.711   3.9057   0.7434   3.2960   1.0418   4.5381   1.0611  332.492   63.254  402.555   51.268 -70.06210 81.42122 
1 1 1   19   42   25 o  340.339   40.437   3.3640   0.6699   2.2940   0.9110   4.6241   0.9886  273.065   65.690  407.613   47.175 -134.5480 80.87428 
1 1 1   19   42   27 o  189.262   39.147   0.9952   0.4344   0.4846   0.5830   1.6327   0.6514  144.607   55.643  233.916   55.080 -89.30896 78.29384 
1 1 1   19   42   29 o  210.986   56.142   1.4323   0.8135   1.4845   1.0052   1.3332   1.3849  213.434   74.490  208.538   84.016 4.896622 112.2832 
1 1 1   19   43    0 o  139.102   51.755   0.7663   0.5464   1.0442   0.6378   0.0000   1.0593  164.502   72.182  113.702   74.189 -0.000000 0.000000 
1 1 1   19   43    2 o  162.496   37.804   0.7062   0.3668   0.7781   0.5136   0.6313   0.5240  168.513   53.092  156.479   53.830 12.03406 75.60756 
1 1 1   19   43    4 o  293.615   42.366   2.4703   0.6250   2.1593   0.9239   2.7327   0.8486  271.118   66.731  316.111   52.217 -44.99301 84.73261 
1 1 1   19   43    6 o  467.954   38.145   6.0770   0.9061   5.4864   1.3441   6.5689   1.2268  444.005   58.881  491.904   48.508 -47.89954 76.28912 
1 1 1   19   43    8 o  632.590   33.822   10.810   1.0971   10.132   1.4875   11.619   1.6247  611.281   47.331  653.899   48.326 -42.61835 67.64304 
1 1 1   19   43   10 o  719.685   34.097   14.177   1.2522   15.052   1.7097   13.164   1.8391  746.720   44.535  692.649   51.644 54.07153 68.19434 
1 1 1   19   43   12 o  300.430   36.877   2.5320   0.5530   2.3168   0.8039   2.7254   0.7620  284.246   56.994  316.613   46.812 -32.36722 73.75452 
1 1 1   19   43   14 o  323.119   47.940   3.0210   0.7623   2.5713   0.9865   3.6877   1.2012  293.957   66.790  352.281   68.790 -58.32428 95.88020 
1 1 1   19   43   16 o  193.181   41.586   1.0478   0.4395   1.2162   0.7182   0.9471   0.5557  204.117   62.538  182.244   54.832 21.87302 83.17184 
1 1 1   19   43   18 o  126.202   34.568   0.3002   0.3196   0.4324   0.4828   0.1971   0.4264  137.096   51.107  115.308   46.560 21.78824 69.13560 
1 1 1   19   43   20 o  378.893   41.377   4.1089   0.8040   4.1058   1.1771   4.1116   1.1007  377.305   60.682  380.480   56.268 -3.175079 82.75480 
1 1 1   19   43   22 f  282.366   40.505   2.2876   0.6011   3.9996   0.9090   0.9569   0.8014  380.020   46.524  184.711   66.319 195.3088 81.01005 
1 1 1   19   43   24 o  280.591   41.375   2.3571   0.5931   3.2747   0.8534   1.4996   0.8250  341.553   48.600  219.630   66.975 121.9234 82.75002 
1 1 1   19   43   26 o  323.517   42.452   3.1631   0.6801   3.1981   0.9606   3.1279   0.9630  325.733   59.554  321.302   60.515 4.431335 84.90458 
1 1 1   19   44    1 o  442.399   41.143   5.5330   0.8777   7.3643   1.2746   3.8813   1.2105  520.494   47.631  364.304   67.100 156.1902 82.28675 
1 1 1   19   44    3 o  483.410   37.526   6.3950   0.9287   7.2569   1.3727   5.6675   1.2612  513.921   51.952  452.900   54.165 61.02078 75.05253 
1 1 1   19   44    5 o  216.029   43.324   1.3577   0.5030   1.3318   0.7348   1.3806   0.6901  213.976   62.732  218.082   59.770 -4.106445 86.64744 
1 1 1   19   44    7 o  253.393   42.137   1.8847   0.5401   1.6652   0.8006   2.0680   0.7318  237.641   64.068  269.146   54.748 -31.50529 84.27395 
1 1 1   19   44    9 o  404.188   35.794   4.5252   0.7371   4.9675   1.0172   4.0361   1.0697  427.296   46.304  381.079   54.597 46.21732 71.58854 
1 1 1   19   44   11 o  278.693   42.018   2.1753   0.5716   2.7014   0.9341   1.8604   0.7227  303.952   61.876  253.433   56.863 50.51907 84.03554 
1 1 1   19   44   13 o  610.851   43.755   10.747   1.3571   11.339   1.8246   10.013   2.0304  635.593   55.836  586.110   67.382 49.48279 87.50938 
1 1 1   19   44   15 o  255.541   41.771   1.9748   0.5442   1.5078   0.8726   2.2722   0.6962  223.498   69.006  287.583   47.090 -64.08527 83.54230 
1 1 1   19   44   17 o  415.344   40.315   4.5901   0.8297   3.7423   1.0206   6.2427   1.4249  364.191   54.508  466.496   59.413 -102.3052 80.62914 
1 1 1   19   44   19 o  204.223   38.636   1.2222   0.4596   1.9072   0.6393   0.4897   0.6611  257.842   50.033  150.604   58.887 107.2381 77.27230 
1 1 1   19   44   21 o  312.427   44.899   2.9404   0.6930   3.1229   1.0444   2.7968   0.9263  319.570   65.759  305.284   61.151 14.28622 89.79797 
1 1 1   19   44   23 o  259.809   44.071   2.0947   0.5883   1.6565   0.8420   2.5127   0.8223  229.284   67.130  290.333   57.120 -61.04890 88.14280 
1 1 1   19   44   25 o  333.635   43.534   3.4838   0.7194   1.6449   0.9898   5.5434   1.0475  223.477   73.981  443.793   45.910 -220.3156 87.06831 
1 1 1   19   45    0 o  917.287   53.981   23.362   2.4445   25.673   3.9742   21.956   3.1003  946.066   83.185  888.508   68.819 0.000000 0.000000 
1 1 1   19   45    2 o  247.375   52.674   1.8740   0.6745   1.6612   1.3897   1.9396   0.7714  236.898   86.999  257.853   59.410 -20.95485 105.3486 
1 1 1   19   45    4 o  241.106   47.747   1.9587   0.6679   0.5424   1.3061   2.4602   0.7772  188.001   79.205  294.210   53.346 -106.2094 95.49435 
1 1 1   19   45    6 o  427.193   39.686   5.1540   0.8630   4.6308   1.2603   5.6158   1.1841  403.585   60.742  450.801   51.092 -47.21625 79.37182 
1 1 1   19   45    8 o  224.530   39.591   1.4708   0.4579   1.6605   0.6414   1.2737   0.6538  240.256   53.319  208.805   58.541 31.45102 79.18295 
1 1 1   19   45   10 o  367.660   52.198   3.6500   0.8232   3.2636   0.9281   5.0743   1.7819  342.110   52.767  393.209   90.079 -51.09875 104.3969 
1 1 1   19   45   12 o  284.500   49.860   2.3959   0.7261   1.8218   0.9431   3.2314   1.1378  243.279   70.996  325.720   70.025 -82.44124 99.71974 
1 1 1   19   45   14 o  233.633   40.043   1.6095   0.4765   1.5026   0.6860   1.7092   0.6623  225.107   58.675  242.158   54.508 -17.05116 80.08663 
1 1 1   19   45   16 o  329.149   39.382   3.2258   0.6195   1.9180   0.8727   4.5549   0.8797  249.722   66.706  408.576   41.880 -158.8542 78.76328 
1 1 1   19   45   18 o  310.345   39.724   2.8178   0.6095   2.7337   0.8338   2.9143   0.8930  306.033   55.018  314.658   57.315 -8.625000 79.44842 
1 1 1   19   45   20 o  161.297   39.400   0.7044   0.3940   0.8731   0.6099   0.5835   0.5161  173.792   58.092  148.802   53.244 24.99019 78.80095 
1 1 1   19   45   22 o  410.096   43.251   4.9645   0.8687   6.5382   1.3101   3.7298   1.1605  475.536   53.586  344.655   67.906 130.8816 86.50262 
1 1 1   19   46    1 o  225.594   41.237   1.5042   0.4937   1.0862   0.7034   1.9101   0.6931  193.842   62.247  257.345   54.104 -63.50258 82.47395 
1 1 1   19   46    3 o  443.096   39.904   5.5588   0.9055   5.2288   1.3081   5.8623   1.2546  428.287   59.409  457.905   53.292 -29.61795 79.80892 
1 1 1   19   46    5 o  146.924   37.886   0.4860   0.3917   0.1540   0.5621   0.7994   0.5461  124.746   52.223  169.102   54.901 -44.35577 75.77222 
1 1 1   19   46    7 o  205.385   39.633   1.2571   0.4675   0.5969   0.6952   1.8023   0.6317  159.781   60.931  250.988   50.701 -91.20732 79.26669 
1 1 1   19   46    9 o  326.789   54.500   3.9651   0.8746   4.5467   0.9920   1.9339   1.8537  405.728   47.554  247.849   98.080 157.8789 109.0007 
1 1 1   19   46   11 o  445.294   40.155   5.6700   0.9148   5.4960   1.3449   5.8198   1.2481  436.400   59.943  454.187   53.448 -17.78729 80.31045 
1 1 1   19   46   13 f  190.496   35.951   0.9822   0.4036   1.7590   0.5955   0.3225   0.5488  248.000   48.444  132.992   53.131 115.0071 71.90101 
1 1 1   19   46   15 o  192.131   40.028   1.0800   0.4202   1.2253   0.6352   0.9669   0.5605  202.511   58.025  181.751   55.154 20.75925 80.05567 
1 1 1   19   46   17 o  174.661   38.563   0.8895   0.3845   0.9488   0.5478   0.8320   0.5399  179.639   54.534  169.684   54.538 9.954910 77.12527 
1 1 1   19   46   19 o  163.391   40.588   0.6507   0.4272   1.1500   0.6897   0.3399   0.5442  194.317   61.560  132.465   52.912 61.85251 81.17500 
1 1 1   19   46   21 o  293.469   41.016   2.6612   0.5999   3.3188   0.8261   1.9278   0.8725  342.304   46.942  244.634   67.272 97.66978 82.03159 
1 1 1   19   47    0 o  472.093   71.800   7.4256   1.4306   6.4984   2.3520   7.9700   1.8023  420.009  125.127  524.178   70.456 0.000000 0.000000 
1 1 1   19   47    2 o  372.049   40.106   3.9442   0.7669   4.0220   1.1013   3.8710   1.0686  375.383   57.064  368.714   56.370 6.669495 80.21146 
1 1 1   19   47    4 o  499.321   39.410   7.0370   1.0074   7.9617   1.4953   6.2682   1.3633  529.858   54.890  468.785   56.566 61.07297 78.82087 
1 1 1   19   47    6 o  256.990   55.126   2.1411   0.7468   2.2109   0.8582   1.9231   1.5162  270.790   62.852  243.190   90.582 27.60091 110.2515 
1 1 1   19   47    8 o  248.933   55.162   1.8133   0.7296   1.4897   0.8644   2.6153   1.3608  219.973   68.808  277.894   86.238 -57.92146 110.3247 
1 1 1   19   47   10 o  206.809   44.474   1.2896   0.5135   1.3381   0.7613   1.2492   0.6955  209.798   64.404  203.820   61.350 5.978256 88.94796 
1 1 1   19   47   12 o  193.905   41.882   1.1236   0.4563   1.1621   0.6366   1.0830   0.6543  197.077   58.553  190.733   59.900 6.344376 83.76425 
1 1 1   19   47   14 o  308.590   39.368   2.7947   0.5997   2.9863   0.8927   2.6370   0.8097  317.646   56.742  299.533   54.587 18.11285 78.73661 
1 1 1   19   47   16 o  453.563   39.306   5.8594   0.8920   6.5772   1.4654   5.4368   1.1243  470.111   60.630  437.015   50.038 33.09595 78.61177 
1 1 1   19   47   18 o  442.767   38.385   5.7018   0.8538   5.8012   1.3560   5.6366   1.0990  440.202   59.914  445.333   47.998 -5.130341 76.76929 
1 1 1   19   48    1 o  181.997   41.231   0.9687   0.4383   0.8728   0.6351   1.0558   0.6056  174.937   59.279  189.057   57.322 -14.12003 82.46122 
1 1 1   19   48    3 o  179.245   47.612   0.8659   0.5683   0.9535   0.6653   0.6294   1.0932  181.290   60.674  177.200   73.391 4.089478 95.22364 
1 1 1   19   48    5 o  342.542   59.084   4.1844   1.0046   4.5420   1.1760   3.2188   1.9324  395.812   57.787  289.272  103.075 106.5402 118.1688 
1 1 1   19   48    7 o  229.979   45.157   1.5969   0.5471   1.8841   0.8548   1.3976   0.7121  245.833   66.172  214.125   61.464 31.70813 90.31408 
1 1 1   19   48    9 f  305.439   44.473   2.9202   0.6818   2.0941   1.0115   3.6079   0.9230  254.021   73.354  356.857   50.306 -102.8361 88.94639 
1 1 1   19   48   11 o  743.238   35.918   15.694   1.3695   15.110   1.8651   16.378   2.0175  729.798   49.709  756.678   51.859 -26.88019 71.83553 
1 1 1   19   48   13 f  486.298   40.310   7.0093   0.9561   6.6576   1.5862   7.2100   1.1982  466.023   66.203  506.574   46.006 -40.55133 80.61942 
1 1 1   19   48   15 o  169.034   39.874   0.8509   0.4264   0.4593   0.6903   1.0924   0.5421  147.479   59.352  190.590   53.264 -43.11089 79.74736 
1 1 1   19   49    0 o  380.500  120.632   5.5631   2.0763   0.0000   0.0000   5.5631   2.0763  380.500  120.632  380.500  120.632 -0.000000 0.000000 
1 1 1   19   49    2 o  421.072   68.530   6.6614   1.5904   9.6881   2.2859   3.8216   2.2142  542.467   81.964  299.676  109.852 242.7908 137.0600 
1 1 1   19   49    4 o  221.677   50.636   1.4899   0.6023   1.7788   1.1883   1.3900   0.6987  230.681   80.966  212.674   60.833 18.00693 101.2726 
1 1 1   19   49    6 o  169.128   42.964   0.8210   0.5053   0.0000   0.9911   1.1095   0.5874  146.197   65.150  192.059   56.027 -45.86230 85.92756 
1 1 1   19   49    8 o  161.841   43.057   0.7094   0.4873   0.0000   1.0315   0.9132   0.5529  148.177   66.217  175.505   55.054 -27.32849 86.11376 
1 1 1   19   49   10 o  278.110   49.661   2.7600   0.7538   1.5884   1.3411   3.3010   0.9113  218.585   84.313  337.635   52.498 -119.0497 99.32113 
1 1 1   20    0    0 o  2415.36   70.085  150.690   8.6865   0.0000   0.0000  150.690   8.6865  2415.36   70.085  2415.36   70.085 -0.000000 0.000000 
1 1 1   20    0    2 o  754.381   70.650   15.076   2.6849   0.0000   0.0000   15.076   2.6849  754.381   70.650  754.381   70.650 0.000000 0.000000 
1 1 1   20    0    4 o  829.447   66.877   18.099   2.8092   18.099   2.8092   0.0000   0.0000  829.447   66.877  829.447   66.877 -0.000000 0.000000 
1 1 1   20    0    6 o  1983.89   47.040  102.239   4.7223  103.934   6.2255   99.941   7.2469  2004.64   60.529  1963.14   72.021 -0.000000 0.000000 
1 1 1   20    0    8 o  1221.54   47.021   39.561   2.8343   35.819   4.5022   42.018   3.6478  1170.11   75.562  1272.97   55.983 0.000000 0.000000 
1 1 1   20    0   10 o  269.593   57.917   2.3671   0.6991   2.1404   1.0935   2.5238   0.9091  248.523   92.161  290.662   70.170 0.000000 0.000000 
1 1 1   20    0   12 o  730.972   44.016   14.042   1.6055   14.336   2.4851   13.832   2.1033  736.236   66.926  725.708   57.188 0.000000 0.000000 
1 1 1   20    0   14 o  1570.63   41.651   63.601   3.3337   61.166   4.4494   66.717   5.0336  1536.88   56.485  1604.39   61.226 -0.000000 0.000000 
1 1 1   20    0   16 o  110.716   43.293   0.4340   0.3608   0.4660   0.5017   0.3997   0.5194  113.170   61.380  108.262   61.070 -0.000000 0.000000 
1 1 1   20    0   18 o  729.913   41.482   14.004   1.5317   14.914   2.1973   13.144   2.1362  753.732   57.470  706.093   59.834 0.000000 0.000000 
1 1 1   20    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   22 o  1556.57   40.071   62.834   3.1944   59.524   4.4884   66.231   4.5472  1514.58   57.832  1598.55   55.480 0.000000 0.000000 
1 1 1   20    0   24 o  2667.61   40.047  184.168   5.4863  186.246   7.8225  182.156   7.6966  2682.39   56.780  2652.82   56.489 -0.000000 0.000000 
1 1 1   20    0   26 o  2499.56   40.326  162.085   5.1733  166.253   7.2657  157.798   7.3677  2532.67   55.861  2466.46   58.175 0.000000 0.000000 
1 1 1   20    0   28 o  726.902   42.292   13.988   1.5541   14.757   2.2084   13.233   2.1875  747.623   58.268  706.181   61.313 -0.000000 0.000000 
1 1 1   20    0   30 f  458.319   47.182   5.8231   1.0276   5.0854   1.4487   6.5701   1.4579  424.341   72.850  492.297   59.978 0.000000 0.000000 
1 1 1   20    0   32 f  339.016   74.663   3.3996   1.1386   3.3996   1.1386   0.0000   0.0000  339.016   74.663  339.016   74.663 0.000000 0.000000 
1 1 1   20    0   34 o  125.056   46.736   0.5399   0.4320   0.8680   0.6110   0.2119   0.6109  150.399   70.521   99.713   61.349 -0.000000 0.000000 
1 1 1   20    0   36 o  773.541   43.204   15.988   1.6932   15.901   2.4156   16.071   2.3740  771.091   61.847  775.990   60.344 0.000000 0.000000 
1 1 1   20    0   38 o  124.919   47.288   0.5793   0.4126   0.4848   0.5428   0.7087   0.6351  114.726   63.279  135.112   70.287 -0.000000 0.000000 
1 1 1   20    0   40 o  284.488   59.455   2.6453   0.7564   2.7425   1.0820   2.5524   1.0578  291.194   83.372  277.782   84.786 0.000000 0.000000 
1 1 1   20    0   42 o  106.549   42.414   0.3956   0.3589   0.2679   0.5066   0.5242   0.5085   96.322   57.590  116.776   62.285 -0.000000 0.000000 
1 1 1   20    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   46 o   71.974   46.572   0.0000   0.4056   0.0000   0.4056   0.0000   0.0000   71.974   46.572   71.974   46.572 0.000000 0.000000 
1 1 1   20    0   48 o  123.661   66.917   0.6027   0.5950   0.0000   0.0000   0.6027   0.5950  123.661   66.917  123.661   66.917 -0.000000 0.000000 
1 1 1   20    0   50 o  249.006   83.715   2.2028   0.9573   0.0000   0.0000   2.2028   0.9573  249.006   83.715  249.006   83.715 -0.000000 0.000000 
1 1 1   20    0   52 o  201.573   85.648   1.6409   0.9012   0.0000   0.0000   1.6409   0.9012  201.573   85.648  201.573   85.648 -0.000000 0.000000 
1 1 1   20    1    1 o  888.859   42.472   20.329   1.8350   20.091   2.2480   20.804   3.1763  882.053   49.572  895.665   68.978 -13.61194 84.94349 
1 1 1   20    1    3 o  1456.71   47.394   54.998   3.5493   55.495   5.0476   54.512   4.9919  1463.20   67.098  1450.22   66.951 12.98816 94.78745 
1 1 1   20    1    5 o  1862.29   44.637   89.838   4.2706   89.014   6.1428   90.609   5.9412  1853.73   64.454  1870.85   61.769 -17.11560 89.27312 
1 1 1   20    1    7 o  677.442   32.146   11.835   1.1191   12.356   1.6028   11.340   1.5632  692.004   45.050  662.880   45.869 29.12415 64.29220 
1 1 1   20    1    9 f  1215.61   40.803   37.867   2.3078   37.392   2.7262   39.069   4.3350  1203.86   44.047  1227.37   68.698 -23.51013 81.60588 
1 1 1   20    1   11 o  1104.23   30.112   31.454   1.7093   30.881   2.4114   32.034   2.4233  1094.08   42.870  1114.37   42.297 -20.29163 60.22364 
1 1 1   20    1   13 o  519.363   29.920   6.9654   0.7979   7.3784   1.1283   6.5523   1.1284  534.832   41.033  503.894   43.557 30.93814 59.84075 
1 1 1   20    1   15 o  1189.05   29.048   36.497   1.7747   37.334   2.4883   35.630   2.5321  1203.02   40.230  1175.07   41.912 27.94946 58.09552 
1 1 1   20    1   17 o  1819.37   28.588   85.451   2.6729   87.376   3.7550   83.474   3.8056  1840.27   39.688  1798.47   41.158 41.80286 57.17586 
1 1 1   20    1   19 o  2037.38   35.375  109.270   3.4683  101.854   5.9752  113.039   4.2593  1981.93   58.640  2092.83   39.586 -110.9025 70.75053 
1 1 1   20    1   21 o  2666.21   40.071  184.403   5.4926  183.531   7.7277  185.292   7.8085  2659.91   56.509  2672.51   56.830 -12.59375 80.14272 
1 1 1   20    1   23 o  1275.27   28.354   42.016   1.8584   40.521   2.6132   43.546   2.6433  1252.23   40.590  1298.31   39.601 -46.06982 56.70781 
1 1 1   20    1   25 o  1394.07   28.490   50.275   2.0419   49.672   2.8799   50.884   2.8955  1385.65   40.426  1402.50   40.156 -16.85181 56.98047 
1 1 1   20    1   27 o  629.656   29.139   10.278   0.9432   10.152   1.3379   10.401   1.3299  625.798   41.582  633.513   40.832 -7.715210 58.27789 
1 1 1   20    1   29 o  748.645   29.356   14.566   1.1290   15.173   1.5916   13.951   1.6017  764.540   40.492  732.751   42.516 31.78882 58.71246 
1 1 1   20    1   31 o  844.277   35.650   18.439   1.4669   19.348   2.5377   17.983   1.7976  857.412   57.567  831.142   42.068 26.26984 71.29978 
1 1 1   20    1   33 o  439.125   60.666   5.1149   1.3696   5.1149   1.3696   0.0000   0.0000  439.125   60.666  ?   ?       ?      ? 
1 1 1   20    1   35 o  277.388   35.688   2.1418   0.4831   1.2190   0.6792   3.0869   0.6874  210.945   59.854  343.831   38.886 -132.8850 71.37666 
1 1 1   20    1   37 o  489.070   30.814   6.2944   0.7746   6.2838   1.0827   6.3054   1.1087  488.779   43.085  489.361   44.065 -0.5826416 61.62853 
1 1 1   20    1   39 o  462.172   30.955   5.6495   0.7344   5.2812   1.0350   6.0231   1.0424  446.607   45.074  477.737   42.439 -31.12973 61.90956 
1 1 1   20    1   41 o  216.736   35.533   1.3106   0.3950   1.7210   0.5639   0.9150   0.5536  250.897   45.384  182.576   54.686 68.32065 71.06524 
1 1 1   20    1   43 o  120.372   51.830   0.0000   0.5809   0.0000   0.5809   0.0000   0.0000  120.372   51.830  ?   ?       ?      ? 
1 1 1   20    1   45 o  147.010   35.257   0.5619   0.3261   0.7171   0.4069   0.2831   0.5455  161.227   46.514  132.793   52.997 28.43452 70.51390 
1 1 1   20    1   47 o  158.938   40.228   0.6055   0.4331   0.2936   0.6281   0.8883   0.5980  139.083   56.387  178.794   57.391 -39.71008 80.45625 
1 1 1   20    1   49 o  130.926   35.214   0.3082   0.3468   0.6140   0.4895   0.0000   0.4915  152.150   52.040  109.702   47.454 42.44818 70.42725 
1 1 1   20    1   51 f  468.565   47.393   6.5681   1.1356   7.3717   1.6281   5.8067   1.5848  500.018   63.333  437.112   70.521 62.90579 94.78588 
1 1 1   20    1   53 o  158.926   56.388   0.7020   0.5777   0.7020   0.5777   0.0000   0.0000  158.926   56.388  ?   ?       ?      ? 
1 1 1   20    2    0 f  154.751   76.267   0.9101   0.7258   0.0000   0.0000   0.9101   0.7258  154.751   76.267  154.751   76.267 -0.000000 0.000000 
1 1 1   20    2    2 o  1010.96   69.200   26.506   3.5967   26.506   3.5967   0.0000   0.0000  1010.96   69.200  ?   ?       ?      ? 
1 1 1   20    2    4 o  797.759   46.744   16.576   1.9073   15.199   2.7585   17.837   2.6400  765.462   70.093  830.055   61.863 -64.59357 93.48804 
1 1 1   20    2    6 o  1385.78   37.963   48.762   2.5840   52.532   4.4270   46.813   3.1823  1424.72   60.438  1346.84   45.958 77.88025 75.92666 
1 1 1   20    2    8 o  776.260   31.756   15.611   1.2622   14.418   1.8184   16.721   1.7535  747.363   47.324  805.157   42.359 -57.79370 63.51246 
1 1 1   20    2   10 o  297.532   31.762   2.2845   0.4850   2.4680   0.6926   2.1080   0.6794  309.289   43.556  285.775   46.239 23.51440 63.52304 
1 1 1   20    2   12 o  990.220   29.994   25.299   1.5257   23.968   2.1458   26.660   2.1698  963.807   43.304  1016.63   41.513 -52.82617 59.98804 
1 1 1   20    2   14 o  114.133   29.128   0.2699   0.2220   0.1758   0.3129   0.3653   0.3150  104.728   40.632  123.537   41.746 -18.80895 58.25579 
1 1 1   20    2   16 o  791.904   28.988   16.179   1.1797   16.094   1.6437   16.269   1.6943  789.797   40.480  794.012   41.504 -4.215576 57.97565 
1 1 1   20    2   18 o  1138.13   36.203   34.633   1.9741   30.243   3.3639   36.939   2.4381  1079.81   60.594  1196.44   39.636 -116.6290 72.40614 
1 1 1   20    2   20 o  1340.73   33.867   45.500   2.2140   43.499   2.7020   49.588   3.8622  1298.00   40.489  1383.47   54.299 -85.46558 67.73321 
1 1 1   20    2   22 o  1344.14   40.474   46.932   2.7891   42.507   3.9092   51.520   3.9806  1279.04   59.447  1409.23   54.942 -130.1836 80.94801 
1 1 1   20    2   24 o  847.069   28.604   18.553   1.2446   17.552   1.7500   19.578   1.7704  823.836   41.317  870.301   39.568 -46.46466 57.20784 
1 1 1   20    2   26 o  1228.31   28.630   39.082   1.8069   40.595   2.5534   37.565   2.5573  1252.31   39.659  1204.32   41.302 47.99121 57.25923 
1 1 1   20    2   28 o  893.716   28.923   20.719   1.3289   20.872   1.8852   20.568   1.8737  896.998   40.878  890.434   40.929 6.563660 57.84599 
1 1 1   20    2   30 o  609.418   29.801   9.6630   0.9324   10.298   1.3248   9.0392   1.3126  629.479   40.935  589.358   43.320 40.12061 59.60118 
1 1 1   20    2   32 o  457.954   39.419   5.8562   0.8447   6.4901   1.0396   4.6251   1.4489  499.228   40.505  416.680   67.636 82.54816 78.83748 
1 1 1   20    2   34 o  257.032   41.564   1.8242   0.5153   1.7733   0.8892   1.8499   0.6324  252.753   67.247  261.312   48.869 -8.558990 83.12848 
1 1 1   20    2   36 o  220.221   36.461   1.3504   0.4107   0.9979   0.5913   1.6792   0.5710  191.657   56.296  248.785   46.350 -57.12799 72.92144 
1 1 1   20    2   38 o  299.918   41.117   2.4812   0.5876   2.5253   0.7237   2.3960   1.0067  309.075   45.541  290.762   68.474 18.31262 82.23495 
1 1 1   20    2   40 o  288.896   40.198   2.1965   0.5519   1.9072   0.6744   2.7837   0.9607  262.720   51.767  315.072   61.512 -52.35168 80.39642 
1 1 1   20    2   42 o  177.743   38.747   0.8359   0.4289   1.2978   0.5770   0.2654   0.6412  215.293   52.580  140.193   56.927 75.10034 77.49392 
1 1 1   20    2   44 o  1284.80   43.800   45.749   2.8925   44.533   4.0793   46.978   4.1021  1266.57   62.644  1303.02   61.233 -36.44995 87.59997 
1 1 1   20    2   46 o  507.243   37.294   6.6672   0.9312   5.8054   1.1363   8.4297   1.6251  462.890   47.747  551.597   57.303 -88.70776 74.58842 
1 1 1   20    2   48 o  325.120   49.089   3.1663   0.7956   3.2946   1.1365   3.0429   1.1141  332.138   68.820  318.102   70.021 14.03622 98.17892 
1 1 1   20    2   50 o  217.532   46.015   1.3981   0.5733   0.9391   0.7915   1.9047   0.8315  184.227   65.933  250.838   64.205 -66.61116 92.02908 
1 1 1   20    2   52 o  249.650   52.279   1.8288   0.6495   1.8288   0.6495   0.0000   0.0000  249.650   52.279  ?   ?       ?      ? 
1 1 1   20    3    1 o  442.264   50.524   5.0743   1.1486   5.2150   1.6378   4.9381   1.6113  448.318   71.055  436.211   71.845 12.10791 101.0476 
1 1 1   20    3    3 o  1239.05   67.922   39.802   4.3268   39.802   4.3268   0.0000   0.0000  1239.05   67.922  ?   ?       ?      ? 
1 1 1   20    3    5 o  1128.94   48.210   33.073   2.7888   33.415   3.8035   32.676   4.1014  1135.68   65.141  1122.21   71.087 13.46570 96.41938 
1 1 1   20    3    7 o  1738.09   61.635   78.207   5.5077   78.207   5.5077   0.0000   0.0000  1738.09   61.635  ?   ?       ?      ? 
1 1 1   20    3    9 o  1292.79   36.529   43.396   2.3141   42.457   3.8948   43.909   2.8770  1280.90   59.143  1304.67   42.892 -23.76587 73.05873 
1 1 1   20    3   11 o  818.127   30.202   17.274   1.2698   17.806   1.7916   16.738   1.8000  830.832   41.942  805.423   43.469 25.40857 60.40465 
1 1 1   20    3   13 o  467.206   30.185   5.6313   0.7222   4.9886   1.0061   6.3148   1.0375  439.626   44.512  494.787   40.783 -55.16080 60.37005 
1 1 1   20    3   15 o  772.418   29.146   15.388   1.1570   15.208   1.6091   15.581   1.6647  767.771   40.765  777.064   41.668 -9.292603 58.29266 
1 1 1   20    3   17 o  2315.75   35.021  139.273   3.9612  136.636   6.7177  140.679   4.9046  2296.75   56.890  2334.76   40.859 -38.01050 70.04284 
1 1 1   20    3   19 o  2329.94   34.493  140.734   3.8767  141.380   4.7329  139.415   6.7580  2340.56   39.331  2319.33   56.675 21.22974 68.98545 
1 1 1   20    3   21 o  459.329   36.582   5.4029   0.7989   5.3030   0.9578   5.6315   1.4486  453.080   41.116  465.578   60.519 -12.49734 73.16425 
1 1 1   20    3   23 o  1065.74   34.566   28.828   1.8024   31.334   3.1193   27.573   2.2084  1098.68   55.223  1032.80   41.589 65.87402 69.13243 
1 1 1   20    3   25 o  779.888   28.963   15.758   1.1583   14.386   1.6307   17.154   1.6456  745.395   42.552  814.381   39.303 -68.98639 57.92575 
1 1 1   20    3   27 o  137.757   35.831   0.4071   0.3165   0.1831   0.6179   0.4868   0.3686  136.391   55.690  139.123   45.100 -2.731720 71.66131 
1 1 1   20    3   29 o  831.195   28.976   17.943   1.2381   17.670   1.7535   18.214   1.7484  824.814   41.351  837.576   40.602 -12.76245 57.95206 
1 1 1   20    3   31 o  1171.33   41.427   36.186   2.4874   32.829   3.4969   39.624   3.5390  1115.08   60.997  1227.58   56.074 -112.4935 82.85451 
1 1 1   20    3   33 o  618.455   36.883   10.144   1.1022   10.303   1.3532   9.8305   1.8999  628.279   41.893  608.631   60.717 19.64807 73.76693 
1 1 1   20    3   35 o  924.128   29.498   22.359   1.4014   22.634   1.9781   22.082   1.9856  929.972   41.371  918.285   42.058 11.68781 58.99573 
1 1 1   20    3   37 o  334.217   39.473   2.7877   0.6334   2.3309   0.7628   3.8018   1.1367  291.981   52.758  376.454   58.730 -84.47266 78.94660 
1 1 1   20    3   39 o  229.019   41.752   1.3760   0.4633   1.2199   0.5522   1.7469   0.8513  209.707   51.576  248.331   65.671 -38.62410 83.50356 
1 1 1   20    3   41 f  638.269   44.243   11.160   1.4507   10.587   2.0147   11.777   2.0905  620.927   63.111  655.611   62.021 -34.68396 88.48537 
1 1 1   20    3   43 o  110.301   41.532   0.2449   0.3204   0.2449   0.3204   0.0000   0.0000  110.301   41.532  ?   ?       ?      ? 
1 1 1   20    3   45 o  447.729   48.133   5.7674   1.0624   4.6646   1.4999   6.8777   1.5050  396.743   76.302  498.714   58.697 -101.9715 96.26686 
1 1 1   20    3   47 o  439.228   47.260   6.2200   0.8953   7.4458   1.1061   3.8905   1.5248  526.928   40.829  351.528   85.248 175.3994 94.52086 
1 1 1   20    3   49 o  267.377   40.707   1.9861   0.5251   1.7147   0.6497   2.4971   0.8916  243.818   53.314  290.935   61.530 -47.11610 81.41480 
1 1 1   20    3   51 o  159.349   33.741   0.7297   0.3518   1.1518   0.4419   0.0000   0.5811  201.212   43.952  117.486   51.205 83.72583 67.48138 
1 1 1   20    3   53 o  129.907   35.160   0.2886   0.3019   0.1425   0.3540   0.6784   0.5783  102.729   42.072  157.084   56.344 -54.35461 70.31905 
1 1 1   20    4    0 o  965.073   50.133   24.190   2.4721   24.190   2.4721   0.0000   0.0000  965.073   50.133  965.073   50.133 0.000000 0.000000 
1 1 1   20    4    2 o  459.350   40.987   5.0536   0.9195   6.8079   1.6460   4.2579   1.1086  512.773   62.436  405.927   53.119 106.8464 81.97468 
1 1 1   20    4    4 o  564.854   46.033   8.2971   1.3263   7.9954   1.9837   8.5410   1.7837  555.228   69.491  574.480   60.391 -19.25244 92.06552 
1 1 1   20    4    6 o  409.418   32.753   4.3099   0.6879   4.5671   1.0154   4.0918   0.9351  420.641   46.953  398.195   45.677 22.44586 65.50574 
1 1 1   20    4    8 o  1890.20   43.178   94.019   3.7753   96.101   4.4826   88.939   7.0023  1929.78   45.180  1850.62   73.595 79.15894 86.35697 
1 1 1   20    4   10 o  947.512   35.797   23.012   1.6770   23.849   2.8065   22.548   2.0914  960.190   56.851  934.833   43.515 25.35663 71.59312 
1 1 1   20    4   12 o  1000.51   29.954   25.859   1.5388   26.733   2.1468   24.935   2.2068  1018.04   41.016  982.981   43.667 35.06299 59.90894 
1 1 1   20    4   14 o  1279.73   29.148   42.177   1.9160   40.442   2.6421   44.103   2.7825  1252.03   41.046  1307.43   41.395 -55.40149 58.29520 
1 1 1   20    4   16 o  1626.55   39.701   68.490   3.3186   71.251   4.7242   65.800   4.6627  1659.06   55.385  1594.04   56.895 65.02759 79.40110 
1 1 1   20    4   18 o  1168.04   39.790   35.355   2.3889   36.167   3.3712   34.536   3.3856  1181.64   55.493  1154.44   57.041 27.19885 79.58099 
1 1 1   20    4   20 o  870.390   28.645   19.510   1.2795   17.946   1.7638   21.247   1.8588  833.613   41.154  907.167   39.855 -73.55420 57.28970 
1 1 1   20    4   22 o  323.421   40.165   2.7827   0.5984   2.8106   0.7191   2.7199   1.0791  329.742   42.418  317.101   68.217 12.64078 80.32996 
1 1 1   20    4   24 o  746.042   36.313   14.795   1.2986   13.437   2.2361   15.485   1.5951  718.211   60.559  773.873   40.091 -55.66144 72.62685 
1 1 1   20    4   26 o  607.244   38.509   10.260   1.0865   7.9272   1.8776   11.435   1.3322  549.824   66.423  664.664   38.985 -114.8395 77.01879 
1 1 1   20    4   28 o  914.435   29.136   21.745   1.3655   23.702   1.9301   19.784   1.9320  956.110   39.265  872.760   43.056 83.35065 58.27168 
1 1 1   20    4   30 o  523.104   42.069   7.2053   1.1305   7.5455   1.5993   6.8656   1.5981  535.740   58.063  510.467   60.894 25.27325 84.13884 
1 1 1   20    4   32 o  744.728   29.703   14.476   1.1345   13.263   1.5979   15.709   1.6110  712.820   43.603  776.636   40.347 -63.81580 59.40583 
1 1 1   20    4   34 o  502.425   43.935   6.7696   1.1248   7.7497   1.5880   5.7828   1.5935  540.530   57.144  464.321   66.750 76.20865 87.86937 
1 1 1   20    4   36 o  833.010   36.715   18.365   1.4775   18.301   1.8051   18.497   2.5717  835.168   42.039  830.851   60.205 4.317627 73.42954 
1 1 1   20    4   38 o  288.621   40.243   2.1655   0.5391   1.9352   0.6429   2.7112   0.9898  266.210   48.769  311.032   64.029 -44.82175 80.48651 
1 1 1   20    4   40 o  452.798   36.684   5.0596   0.8095   4.2055   0.9732   6.9765   1.4580  397.257   47.651  508.340   55.786 -111.0831 73.36738 
1 1 1   20    4   42 o  170.411   49.669   0.7976   0.4618   0.7976   0.4618   0.0000   0.0000  170.411   49.669  ?   ?       ?      ? 
1 1 1   20    4   44 o  280.307   40.326   2.1292   0.5388   1.9183   0.6613   2.5455   0.9291  262.393   50.859  298.221   62.594 -35.82794 80.65150 
1 1 1   20    4   46 o  624.062   34.404   9.7641   0.9728   8.9279   1.1162   12.405   1.9838  579.652   37.455  668.471   57.722 -88.81854 68.80888 
1 1 1   20    4   48 o  127.429   33.669   0.3715   0.2910   0.4904   0.3343   0.0000   0.5911  135.058   42.865  119.801   51.932 15.25685 67.33746 
1 1 1   20    4   50 o  159.746   36.015   0.6983   0.2956   0.7126   0.3311   0.6419   0.6568  159.155   40.394  160.337   59.637 -1.181946 72.02993 
1 1 1   20    4   52 o  256.666   51.772   1.9285   0.6596   1.9285   0.6596   0.0000   0.0000  256.666   51.772  ?   ?       ?      ? 
1 1 1   20    5    1 o  980.615   34.781   24.831   1.7530   25.625   2.4879   24.047   2.4704  996.248   48.573  964.982   49.794 31.26575 69.56170 
1 1 1   20    5    3 o  1251.56   46.527   40.645   2.9788   40.004   4.4204   41.177   4.0318  1241.98   69.227  1261.13   62.182 -19.14758 93.05357 
1 1 1   20    5    5 o  1077.78   39.872   30.019   2.0379   30.084   3.6778   29.991   2.4481  1077.39   66.397  1078.17   44.164 -0.7802734 79.74388 
1 1 1   20    5    7 o  802.364   32.300   16.699   1.3237   15.725   1.9519   17.528   1.8013  780.393   48.648  824.335   42.502 -43.94250 64.59917 
1 1 1   20    5    9 o  1586.79   42.314   65.770   3.1022   66.561   3.6706   63.792   5.8035  1606.08   44.453  1567.51   72.013 38.57080 84.62801 
1 1 1   20    5   11 f  307.568   41.278   2.6938   0.5918   1.9496   1.0083   3.0848   0.7309  269.308   71.594  345.828   41.106 -76.51956 82.55511 
1 1 1   20    5   13 o  2003.92   36.725  104.809   3.5813  100.667   6.0854  107.004   4.4296  1971.43   60.039  2036.40   42.309 -64.96729 73.44908 
1 1 1   20    5   15 o  998.576   39.969   25.829   2.0471   28.154   2.9184   23.577   2.8721  1043.10   54.420  954.052   58.555 89.04724 79.93848 
1 1 1   20    5   17 o  743.333   34.228   14.153   1.2364   13.888   1.5118   14.687   2.1486  733.591   40.083  753.075   55.494 -19.48389 68.45592 
1 1 1   20    5   19 o  2285.89   28.445  134.704   3.3400  130.691   4.6061  139.153   4.8503  2250.13   39.816  2321.65   40.635 -71.51123 56.89027 
1 1 1   20    5   21 o  351.693   30.819   3.2313   0.5509   3.6824   0.7655   2.7466   0.7935  377.606   39.431  325.779   47.375 51.82703 61.63778 
1 1 1   20    5   23 o  1010.02   41.446   26.538   2.1503   26.882   2.9916   26.169   3.0929  1017.07   57.212  1002.96   59.981 14.11261 82.89140 
1 1 1   20    5   25 o  1088.58   28.725   30.696   1.6063   31.610   2.2513   29.747   2.2927  1105.29   39.617  1071.86   41.604 33.42407 57.44960 
1 1 1   20    5   27 o  305.165   31.457   2.4173   0.4934   2.3621   0.6892   2.4753   0.7067  301.598   44.449  308.731   44.526 -7.132904 62.91485 
1 1 1   20    5   29 o  583.484   36.847   9.0615   1.0345   8.4201   1.7783   9.3896   1.2719  565.763   61.135  601.205   41.149 -35.44165 73.69358 
1 1 1   20    5   31 o  298.016   40.857   2.4136   0.5725   2.4691   0.6960   2.2974   1.0067  307.696   43.997  288.337   68.858 19.35867 81.71337 
1 1 1   20    5   33 o  392.246   35.713   3.7504   0.6850   3.1530   0.8273   5.0539   1.2220  346.874   46.388  437.619   54.312 -90.74509 71.42553 
1 1 1   20    5   35 o  506.900   43.579   6.8846   1.1332   6.3732   1.6011   7.3980   1.6042  487.258   63.912  526.543   59.259 -39.28473 87.15710 
1 1 1   20    5   37 o  293.358   44.445   2.5438   0.5966   2.7716   0.7009   1.9439   1.1371  324.684   41.986  262.032   78.348 62.65182 88.88931 
1 1 1   20    5   39 o  125.742   34.015   0.2391   0.3002   0.0930   0.3726   0.5097   0.5070  103.962   42.933  147.523   52.771 -43.56107 68.02946 
1 1 1   20    5   41 f  279.905   68.257   2.2548   0.9734   2.2548   0.9734   0.0000   0.0000  279.905   68.257  ?   ?       ?      ? 
1 1 1   20    5   43 f  420.969   42.845   5.3320   0.7205   5.6928   0.8267   4.1926   1.4692  465.225   34.565  376.713   78.409 88.51190 85.69004 
1 1 1   20    5   45 o  306.880   40.191   2.5439   0.5855   2.3667   0.7106   2.9183   1.0329  296.312   46.647  317.448   65.463 -21.13544 80.38216 
1 1 1   20    5   47 o  327.130   42.120   3.2048   0.5798   3.3567   0.6677   2.7392   1.1689  355.153   36.567  299.106   75.889 56.04712 84.23997 
1 1 1   20    5   49 o  374.327   42.912   4.1288   0.7494   4.2998   0.9262   3.8049   1.2750  396.347   45.455  352.307   72.799 44.03986 85.82446 
1 1 1   20    5   51 o  492.061   46.004   6.7196   1.1638   6.7196   1.1638   0.0000   0.0000  492.061   46.004  ?   ?       ?      ? 
1 1 1   20    5   53 o  157.483   39.467   0.6833   0.3864   0.6819   0.4728   0.6862   0.6705  154.563   51.127  160.404   60.139 -5.840546 78.93487 
1 1 1   20    6    0 o  1527.60   49.706   60.314   3.8944   0.0000   0.0000   60.314   3.8944  1527.60   49.706  1527.60   49.706 -0.000000 0.000000 
1 1 1   20    6    2 f  1127.90   40.763   31.770   2.2330   36.335   3.9646   29.649   2.7025  1184.24   65.117  1071.57   49.053 112.6702 81.52550 
1 1 1   20    6    4 o  531.672   45.748   7.4907   1.2130   6.5166   1.8884   8.1749   1.5826  500.988   73.315  562.356   54.739 -61.36768 91.49590 
1 1 1   20    6    6 o  1823.31   32.124   85.651   2.9993   87.310   4.4642   84.287   4.0494  1839.09   47.214  1807.53   43.575 31.56311 64.24890 
1 1 1   20    6    8 f  439.265   32.962   5.0606   0.7324   4.2235   1.0695   5.7998   1.0050  404.310   51.449  474.219   41.220 -69.90884 65.92460 
1 1 1   20    6   10 o  520.333   40.987   6.7774   0.9984   6.4737   1.1760   7.5610   1.8894  500.799   45.675  539.867   68.070 -39.06830 81.97441 
1 1 1   20    6   12 o  1490.23   42.997   57.308   3.2943   0.0000   0.0000   57.308   3.2943  ?   ?   1490.23   42.997      ?      ? 
1 1 1   20    6   14 o  945.054   39.906   23.134   1.9377   22.460   2.7614   23.787   2.7196  931.353   57.669  958.755   55.174 -27.40161 79.81120 
1 1 1   20    6   16 f  833.857   29.027   17.940   1.2411   17.873   1.6927   18.017   1.8251  832.296   39.557  835.417   42.492 -3.120972 58.05458 
1 1 1   20    6   18 o  689.766   29.507   12.395   1.0369   13.572   1.4226   11.060   1.5144  725.270   38.151  654.262   45.023 71.00757 59.01345 
1 1 1   20    6   20 o  636.323   29.313   10.499   0.9552   11.121   1.3214   9.8185   1.3824  656.295   39.163  616.352   43.625 39.94366 58.62507 
1 1 1   20    6   22 o  156.992   33.505   0.6424   0.2927   0.6449   0.4026   0.6397   0.4265  156.834   46.554  157.151   48.197 -0.3173981 67.00969 
1 1 1   20    6   24 o  1149.15   41.447   34.391   2.4475   34.269   3.4045   34.521   3.5209  1147.28   57.718  1151.02   59.499 -3.739258 82.89421 
1 1 1   20    6   26 o  1044.85   28.899   28.286   1.5523   28.151   2.1831   28.424   2.2077  1042.36   40.737  1047.34   41.000 -4.984009 57.79747 
1 1 1   20    6   28 o  828.881   41.518   18.012   1.7686   17.891   2.4633   18.141   2.5409  826.203   57.990  831.559   59.433 -5.356140 83.03683 
1 1 1   20    6   30 o  777.363   41.081   15.717   1.6418   15.717   1.6418   0.0000   0.0000  777.363   41.081  ?   ?       ?      ? 
1 1 1   20    6   32 o  463.294   36.892   5.4112   0.8248   5.0073   0.9910   6.3214   1.4879  437.814   44.028  488.774   59.208 -50.95941 73.78407 
1 1 1   20    6   34 o  370.176   37.118   3.5367   0.6702   3.3655   0.8182   3.8857   1.1684  358.295   44.419  382.057   59.481 -23.76233 74.23618 
1 1 1   20    6   36 o  605.698   38.699   10.164   1.1091   10.935   1.3630   8.6527   1.9082  645.686   41.059  565.710   65.609 79.97607 77.39715 
1 1 1   20    6   38 o  434.681   37.492   4.8104   0.7907   4.3657   0.9528   5.7942   1.4171  406.129   45.631  463.232   59.501 -57.10254 74.98357 
1 1 1   20    6   40 o  173.256   41.972   0.7083   0.4478   0.4858   0.5736   1.0555   0.7166  149.620   55.717  196.891   62.787 -47.27040 83.94365 
1 1 1   20    6   42 o  382.266   36.326   3.7025   0.6078   3.4987   0.6893   4.4147   1.2887  364.387   36.795  400.144   62.644 -35.75641 72.65103 
1 1 1   20    6   44 f  472.568   32.975   5.0534   0.7151   4.0435   0.8167   8.3723   1.4805  389.878   40.743  555.257   51.860 -165.3786 65.95025 
1 1 1   20    6   46 o  429.023   35.230   4.8382   0.6849   4.6401   0.7931   5.4187   1.3580  417.939   36.912  440.107   60.017 -22.16779 70.45955 
1 1 1   20    6   48 o  232.319   39.010   1.6441   0.4173   1.7621   0.4763   1.2543   0.8654  257.010   36.045  207.628   69.196 49.38148 78.02085 
1 1 1   20    6   50 o  236.514   40.686   1.4648   0.4604   1.1322   0.5459   2.2843   0.8568  196.998   52.816  276.031   61.902 -79.03300 81.37149 
1 1 1   20    6   52 o  166.042   35.469   0.8650   0.3281   1.0113   0.3710   0.3393   0.7031  189.240   39.408  142.845   58.984 46.39505 70.93719 
1 1 1   20    7    1 o  636.595   34.703   10.474   1.1345   9.9485   1.6102   10.993   1.5987  620.627   50.463  652.563   47.652 -31.93524 69.40645 
1 1 1   20    7    3 o  523.605   45.953   7.1530   1.2114   6.8451   1.8945   7.3660   1.5756  513.556   71.754  533.654   57.428 -20.09802 91.90540 
1 1 1   20    7    5 o  1251.86   39.814   40.426   2.3328   40.772   4.3143   40.282   2.7732  1254.11   66.912  1249.62   43.166 4.489380 79.62739 
1 1 1   20    7    7 o  1261.73   40.972   40.507   2.3882   42.742   4.5635   39.664   2.8026  1283.59   69.151  1239.86   43.966 43.72925 81.94428 
1 1 1   20    7    9 o  547.832   39.561   7.5684   1.0301   8.2711   1.8894   7.2713   1.2288  564.880   65.058  530.784   45.030 34.09509 79.12178 
1 1 1   20    7   11 o  1274.87   46.577   42.012   3.0281   41.081   4.0141   43.241   4.6128  1259.18   62.005  1290.56   69.521 -31.37183 93.15498 
1 1 1   20    7   13 o  1869.70   39.895   90.440   3.8340   93.016   5.4878   87.983   5.3588  1895.72   56.305  1843.67   56.535 52.05103 79.79030 
1 1 1   20    7   15 o  1691.76   29.065   74.024   2.5157   75.695   3.4159   72.044   3.7186  1713.02   38.786  1670.49   43.298 42.53064 58.13012 
1 1 1   20    7   17 o  1170.63   28.828   35.288   1.7318   34.081   2.3631   36.689   2.5452  1149.14   39.998  1192.11   41.527 -42.96509 57.65683 
1 1 1   20    7   19 o  743.816   29.102   14.221   1.1078   12.429   1.5158   16.276   1.6232  693.635   42.504  793.996   39.764 -100.3610 58.20449 
1 1 1   20    7   21 o  1819.91   28.667   85.471   2.6796   83.432   3.6935   87.738   3.8936  1797.13   39.975  1842.68   41.099 -45.54175 57.33315 
1 1 1   20    7   23 o  1344.62   36.107   46.686   2.2996   46.338   2.7559   47.485   4.1727  1338.79   40.039  1350.45   60.099 -11.66577 72.21496 
1 1 1   20    7   25 o  562.262   42.817   8.2439   1.2345   7.4422   1.7096   9.1172   1.7843  533.483   62.332  591.041   58.721 -57.55756 85.63489 
1 1 1   20    7   27 o  441.656   42.739   5.0627   0.9646   4.3828   1.2983   5.9007   1.4413  408.689   61.788  474.623   59.066 -65.93463 85.47897 
1 1 1   20    7   29 o  474.029   41.972   5.8426   1.0229   5.8426   1.0229   0.0000   0.0000  474.029   41.972  ?   ?       ?      ? 
1 1 1   20    7   31 o  450.353   37.353   5.3647   0.8071   5.4356   0.9836   5.2188   1.4120  456.717   41.890  443.989   61.856 12.72879 74.70575 
1 1 1   20    7   33 o  736.980   37.574   14.580   1.3185   15.034   1.6049   13.636   2.3123  758.761   41.141  715.199   62.885 43.56171 75.14742 
1 1 1   20    7   35 o  473.887   46.962   6.1900   1.0813   7.9576   1.5496   4.5125   1.5096  547.141   55.087  400.632   76.073 146.5098 93.92350 
1 1 1   20    7   37 o  444.709   33.529   4.6712   0.6730   4.1330   0.7665   6.4830   1.4062  397.259   37.527  492.159   55.575 -94.89957 67.05861 
1 1 1   20    7   39 o  428.762   36.730   4.5164   0.7738   3.5531   0.9413   6.5235   1.3587  364.686   50.206  492.838   53.625 -128.1522 73.45918 
1 1 1   20    7   41 o  457.304   36.271   5.5010   0.8528   5.5010   0.8528   0.0000   0.0000  457.304   36.271  ?   ?       ?      ? 
1 1 1   20    7   43 o  196.606   38.609   0.9332   0.3499   0.7986   0.3948   1.4257   0.7551  169.854   44.628  223.358   63.015 -53.50397 77.21719 
1 1 1   20    7   45 f  281.379   41.513   2.0955   0.5622   1.6467   0.6910   2.9740   0.9668  239.986   56.876  322.772   60.485 -82.78583 83.02572 
1 1 1   20    7   47 o  161.670   36.529   0.7539   0.3435   0.9021   0.3967   0.3105   0.6862  179.404   43.471  143.935   58.717 35.46864 73.05728 
1 1 1   20    7   49 o  362.909   39.464   3.5718   0.6931   3.2857   0.8363   4.1997   1.2388  345.412   47.092  380.405   63.341 -34.99329 78.92890 
1 1 1   20    7   51 o  111.561   38.648   0.3138   0.2703   0.3138   0.2703   0.0000   0.0000  111.561   38.648  ?   ?       ?      ? 
1 1 1   20    8    0 o  2355.25   49.487  143.114   5.9863  143.114   5.9863   0.0000   0.0000  2355.25   49.487  2355.25   49.487 0.000000 0.000000 
1 1 1   20    8    2 o  1366.17   46.223   48.510   3.2070   47.398   4.9037   49.341   4.2394  1351.55   70.570  1380.80   59.718 -29.24963 92.44643 
1 1 1   20    8    4 o  963.433   44.394   24.463   2.1222   22.293   3.4005   25.847   2.7160  926.785   71.366  1000.08   52.823 -73.29761 88.78883 
1 1 1   20    8    6 o  677.237   43.624   11.833   1.5189   0.0000   0.0000   11.833   1.5189  ?   ?   677.237   43.624      ?      ? 
1 1 1   20    8    8 o  770.041   40.055   15.006   1.4488   16.162   2.7049   14.540   1.7156  789.454   66.642  750.628   44.456 38.82629 80.10925 
1 1 1   20    8   10 o  219.548   42.788   1.2901   0.4956   1.2272   0.7627   1.3360   0.6521  216.108   64.062  222.989   56.739 -6.881012 85.57563 
1 1 1   20    8   12 o  607.907   41.219   9.5345   1.2883   9.5345   1.2883   0.0000   0.0000  607.907   41.219  ?   ?       ?      ? 
1 1 1   20    8   14 o  791.980   36.056   16.230   1.4160   16.175   2.3311   16.262   1.7826  790.303   57.371  793.656   43.687 -3.353760 72.11105 
1 1 1   20    8   16 o  700.612   29.563   12.739   1.0579   13.402   1.4404   11.963   1.5586  720.701   38.875  680.523   44.548 40.17889 59.12526 
1 1 1   20    8   18 o  444.324   30.156   5.1251   0.6851   5.4416   0.9411   4.7681   0.9994  459.128   39.868  429.520   45.256 29.60870 60.31191 
1 1 1   20    8   20 o  917.336   36.962   21.429   1.5785   20.929   1.8610   22.711   2.9803  900.129   40.213  934.542   62.028 -34.41321 73.92304 
1 1 1   20    8   22 o  693.028   35.238   11.617   1.1700   10.329   1.3884   14.772   2.1727  631.943   42.734  754.112   56.040 -122.1687 70.47505 
1 1 1   20    8   24 o  1509.46   36.887   60.007   2.6216   61.231   3.1506   57.252   4.7267  1538.31   39.837  1480.61   62.094 57.69995 73.77394 
1 1 1   20    8   26 o  797.860   41.846   16.566   1.7110   14.902   2.3320   18.506   2.5183  754.475   60.118  841.245   58.226 -86.76965 83.69294 
1 1 1   20    8   28 f  966.664   40.793   24.266   2.0274   24.266   2.0274   0.0000   0.0000  966.664   40.793  ?   ?       ?      ? 
1 1 1   20    8   30 o  768.123   35.512   15.064   1.3250   14.325   1.6099   16.617   2.3331  741.669   42.219  794.577   57.113 -52.90820 71.02309 
1 1 1   20    8   32 o  290.943   39.802   2.3985   0.4933   2.5106   0.5659   2.0437   1.0069  310.810   35.412  271.075   71.293 39.73526 79.60373 
1 1 1   20    8   34 o  154.702   36.887   0.6194   0.3198   0.7102   0.3557   0.2368   0.7305  161.750   42.291  147.654   60.449 14.09595 73.77419 
1 1 1   20    8   36 f  418.139   41.327   4.9282   0.7918   5.2954   0.9725   4.2060   1.3640  448.910   42.137  387.367   71.107 61.54333 82.65475 
1 1 1   20    8   38 o  493.003   37.473   6.6601   0.7966   6.8052   0.9142   6.2027   1.6236  509.973   34.869  476.033   66.340 33.93961 74.94589 
1 1 1   20    8   40 o  223.811   51.485   1.3949   0.5801   1.3949   0.5801   0.0000   0.0000  223.811   51.485  ?   ?       ?      ? 
1 1 1   20    8   42 o  296.369   37.478   2.2240   0.4821   2.0455   0.5493   2.8222   1.0058  278.237   38.401  314.502   64.371 -36.26520 74.95503 
1 1 1   20    8   44 o  185.603   37.725   0.7455   0.3234   0.5660   0.3611   1.4724   0.7267  144.801   44.343  226.406   61.043 -81.60593 75.44910 
1 1 1   20    8   46 o  308.832   40.315   2.4272   0.5994   1.8519   0.7239   3.6822   1.0691  253.901   56.865  363.764   57.164 -109.8627 80.63094 
1 1 1   20    8   48 o  121.881   32.754   0.3010   0.2369   0.2968   0.2625   0.3194   0.5502  109.785   38.080  133.977   53.303 -24.19247 65.50814 
1 1 1   20    8   50 o  244.262   68.044   1.8503   0.8863   1.8503   0.8863   0.0000   0.0000  244.262   68.044  ?   ?       ?      ? 
1 1 1   20    8   52 o  142.280   35.077   0.4861   0.2729   0.4292   0.3083   0.6913   0.5858  125.869   41.274  158.691   56.729 -32.82190 70.15456 
1 1 1   20    9    1 o  1711.96   47.139   76.219   4.1273   73.276   6.0869   78.724   5.6154  1680.42   70.454  1743.49   62.646 -63.06714 94.27803 
1 1 1   20    9    3 o  1772.89   53.972   81.249   4.9195   0.0000   0.0000   81.249   4.9195  ?   ?   1772.89   53.972      ?      ? 
1 1 1   20    9    5 o  1080.44   54.514   30.181   3.0281   0.0000   0.0000   30.181   3.0281  ?   ?   1080.44   54.514      ?      ? 
1 1 1   20    9    7 o  473.897   44.885   5.7911   1.0615   5.9356   1.7320   5.7041   1.3433  478.175   70.452  469.620   55.636 8.555786 89.77096 
1 1 1   20    9    9 o  1037.88   35.957   28.038   1.8740   28.826   2.4236   26.866   2.9551  1056.78   44.607  1018.99   56.408 37.79474 71.91389 
1 1 1   20    9   11 o  532.266   30.458   7.3045   0.8329   7.1349   1.1513   7.4908   1.2063  525.813   42.589  538.719   43.554 -12.90674 60.91595 
1 1 1   20    9   13 o  720.724   40.342   13.442   1.2964   13.433   1.4985   13.468   2.5851  721.552   40.394  719.896   69.844 1.655884 80.68373 
1 1 1   20    9   15 o  2144.26   39.012  118.658   3.7420  118.237   4.3293  119.900   7.4409  2140.64   39.337  2147.89   67.383 -7.247070 78.02444 
1 1 1   20    9   17 o  1262.11   38.327   40.869   2.1946   40.437   2.5539   42.091   4.2907  1251.66   39.688  1272.56   65.581 -20.89734 76.65483 
1 1 1   20    9   19 o  1055.92   36.477   27.653   1.7988   26.075   2.1102   31.846   3.4405  1004.70   40.852  1107.13   60.443 -102.4348 72.95380 
1 1 1   20    9   21 o  1470.13   37.899   57.277   2.5730   58.935   3.0580   53.259   4.7610  1510.41   39.380  1429.84   64.765 80.56665 75.79739 
1 1 1   20    9   23 o  1358.05   36.315   46.982   2.3321   45.621   2.7773   50.237   4.2943  1327.91   40.680  1388.19   60.169 -60.28369 72.63023 
1 1 1   20    9   25 o  1772.15   41.857   81.926   3.8084   79.181   5.2219   85.046   5.5663  1740.92   58.341  1803.39   60.036 -62.46692 83.71378 
1 1 1   20    9   27 o  295.620   36.339   2.2637   0.5523   2.2637   0.5523   0.0000   0.0000  295.620   36.339  ?   ?       ?      ? 
1 1 1   20    9   29 o  217.200   37.449   0.9643   0.3552   0.7134   0.3955   2.0108   0.8075  163.063   45.463  271.337   59.521 -108.2736 74.89761 
1 1 1   20    9   31 o  586.856   39.542   10.104   0.9541   11.003   1.0970   7.3132   1.9330  651.373   32.758  522.339   71.981 129.0345 79.08440 
1 1 1   20    9   33 o  594.360   35.860   9.3463   0.9275   9.3794   1.0622   9.2403   1.9030  600.549   34.404  588.171   62.930 12.37793 71.72034 
1 1 1   20    9   35 f  543.797   36.381   7.8113   0.8630   7.7879   0.9880   7.8867   1.7722  546.457   35.167  541.137   63.699 5.319824 72.76184 
1 1 1   20    9   37 o  1363.86   33.260   46.992   2.0473   44.634   2.3575   54.224   4.1288  1306.55   35.096  1421.17   56.508 -114.6198 66.51973 
1 1 1   20    9   39 o  249.692   50.272   1.7214   0.6230   1.7214   0.6230   0.0000   0.0000  249.692   50.272  ?   ?       ?      ? 
1 1 1   20    9   41 o  379.151   46.355   5.0913   0.7059   6.1320   0.8247   2.2383   1.3655  483.604   33.169  274.698   86.574 208.9068 92.71040 
1 1 1   20    9   43 o  544.531   40.282   8.8589   0.9175   9.5882   1.0623   6.7170   1.8204  603.555   34.233  485.505   72.928 118.0500 80.56313 
1 1 1   20    9   45 o  270.361   37.892   1.7950   0.4564   1.4937   0.5245   2.7355   0.9265  231.855   45.622  308.868   60.512 -77.01294 75.78326 
1 1 1   20    9   47 o  529.961   37.401   7.5582   0.8667   7.3539   0.9901   8.2279   1.7927  525.070   36.678  534.852   65.193 -9.782410 74.80200 
1 1 1   20    9   49 o   85.117   36.584   0.0000   0.2884   0.0000   0.2884   0.0000   0.0000   85.117   36.584  ?   ?       ?      ? 
1 1 1   20    9   51 o  240.591   39.288   1.4609   0.4246   1.1750   0.4853   2.3934   0.8765  201.255   47.644  279.927   62.485 -78.67278 78.57652 
1 1 1   20   10    0 o  944.857   49.330   23.190   2.3814   23.190   2.3814   0.0000   0.0000  944.857   49.330  944.857   49.330 0.000000 0.000000 
1 1 1   20   10    2 o  1525.42   40.393   59.055   2.8402   62.781   5.4565   57.670   3.3263  1555.76   68.219  1495.08   43.274 60.67139 80.78641 
1 1 1   20   10    4 o  1508.59   43.522   58.376   3.3055   61.652   5.2986   56.289   4.2294  1541.91   66.839  1475.27   55.761 66.63623 87.04459 
1 1 1   20   10    6 o  170.146   39.151   0.7409   0.3953   0.3958   0.6952   0.9057   0.4805  156.116   60.566  184.176   49.626 -28.06033 78.30118 
1 1 1   20   10    8 o  1494.18   42.880   57.218   3.0137   56.334   3.5854   59.344   5.5629  1476.96   47.217  1511.40   71.590 -34.44006 85.75919 
1 1 1   20   10   10 o  672.028   41.512   11.395   1.2790   11.047   1.4907   12.364   2.4900  654.173   44.324  689.883   70.203 -35.71082 83.02464 
1 1 1   20   10   12 o  239.210   42.259   1.5517   0.4677   1.5944   0.5375   1.4183   0.9493  244.777   44.345  233.642   71.950 11.13438 84.51746 
1 1 1   20   10   14 o  1661.86   45.226   71.838   3.7965   72.490   4.9429   70.901   5.9285  1672.63   57.480  1651.09   69.840 21.53198 90.45210 
1 1 1   20   10   16 o  1799.85   38.722   83.187   3.1368   82.418   3.6357   85.425   6.2040  1786.99   39.573  1812.70   66.570 -25.70313 77.44373 
1 1 1   20   10   18 o  1148.91   39.229   34.659   2.0261   35.133   2.3607   33.333   3.9476  1166.49   39.363  1131.33   67.869 35.16296 78.45784 
1 1 1   20   10   20 o  1322.60   36.563   43.605   2.2613   41.338   2.6579   49.548   4.3034  1264.80   40.874  1380.40   60.637 -115.6042 73.12668 
1 1 1   20   10   22 o  183.657   39.034   0.9312   0.3408   1.0151   0.3687   0.4401   0.8920  194.866   38.170  172.449   68.101 22.41675 78.06859 
1 1 1   20   10   24 o  1645.26   34.710   69.633   2.4495   69.058   2.7774   71.646   5.1965  1634.98   33.041  1655.53   61.053 -20.54053 69.42039 
1 1 1   20   10   26 o  584.037   60.015   8.9421   1.8021   8.9421   1.8021   0.0000   0.0000  584.037   60.015  ?   ?       ?      ? 
1 1 1   20   10   28 o  368.897   40.239   3.6172   0.6054   3.6089   0.6834   3.6475   1.3050  373.138   35.625  364.656   72.165 8.482361 80.47898 
1 1 1   20   10   30 o  241.597   47.819   1.6134   0.6315   1.9909   0.8586   1.1686   0.9320  268.973   63.164  214.220   71.812 54.75269 95.63807 
1 1 1   20   10   32 o  399.914   44.828   4.9532   0.6865   5.4151   0.7787   3.3410   1.4548  456.639   33.168  343.189   83.296 113.4496 89.65633 
1 1 1   20   10   34 o  201.832   40.193   1.1123   0.3844   1.1448   0.4316   0.9880   0.8455  205.396   42.285  198.268   68.367 7.128662 80.38678 
1 1 1   20   10   36 o  157.399   37.769   0.4766   0.3498   0.2491   0.4160   1.0257   0.6463  120.442   46.817  194.356   59.281 -73.91394 75.53873 
1 1 1   20   10   38 o  245.187   48.153   1.6506   0.5853   1.6506   0.5853   0.0000   0.0000  245.187   48.153  ?   ?       ?      ? 
1 1 1   20   10   40 o  209.178   41.641   1.2374   0.4424   1.2885   0.5226   1.1081   0.8310  215.567   48.348  202.790   67.811 12.77660 83.28183 
1 1 1   20   10   42 o  405.526   44.871   5.2544   0.7174   5.8476   0.8282   3.4709   1.4361  471.622   34.156  339.431   82.988 132.1902 89.74226 
1 1 1   20   10   44 o  408.779   34.963   4.2612   0.6480   3.9781   0.7464   5.1273   1.3057  387.363   37.480  430.194   59.033 -42.83093 69.92641 
1 1 1   20   10   46 o  484.030   39.378   6.4813   0.9190   6.4248   1.1222   6.5963   1.6012  487.272   44.794  480.788   64.777 6.483856 78.75616 
1 1 1   20   10   48 o  413.886   39.192   4.6899   0.7798   4.4493   0.9405   5.2192   1.3950  403.333   45.357  424.438   63.927 -21.10419 78.38348 
1 1 1   20   10   50 o  148.170   37.937   0.3884   0.3474   0.1619   0.4052   1.0170   0.6749  110.072   45.036  186.268   61.063 -76.19616 75.87474 
1 1 1   20   10   52 o  175.162   33.354   1.0186   0.3569   1.3503   0.4109   0.0000   0.7201  222.811   35.872  127.512   56.242 95.29928 66.70808 
1 1 1   20   11    1 o  977.872   38.098   23.201   1.5968   22.069   1.7934   27.535   3.5081  925.248   37.700  1030.50   66.215 -105.2488 76.19559 
1 1 1   20   11    3 o  2016.09   41.508  105.925   3.8327  106.812   4.5061  103.603   7.2881  2034.64   43.077  1997.54   70.966 37.10242 83.01662 
1 1 1   20   11    5 o  1291.34   41.695   42.989   2.4471   42.783   2.8546   43.558   4.7522  1287.66   43.120  1295.02   71.376 -7.368164 83.38993 
1 1 1   20   11    7 o  1197.15   42.760   38.824   2.0630   39.955   2.3106   34.381   4.5809  1245.01   36.098  1149.29   77.528 95.72400 85.51961 
1 1 1   20   11    9 o  223.524   44.049   1.3229   0.4832   1.3488   0.5603   1.2476   0.9546  224.101   49.910  222.947   72.598 1.154770 88.09869 
1 1 1   20   11   11 o  1090.49   39.229   30.735   1.6882   30.710   1.8641   30.850   3.9809  1091.65   33.213  1089.34   71.080 2.305542 78.45713 
1 1 1   20   11   13 o  1608.76   38.704   67.017   2.4417   67.022   2.6921   66.991   5.7979  1612.66   32.470  1604.86   70.269 7.801147 77.40867 
1 1 1   20   11   15 o  1064.53   38.895   28.257   1.8744   27.113   2.1640   31.694   3.7505  1024.79   41.073  1104.26   66.062 -79.46594 77.78963 
1 1 1   20   11   17 f  1880.55   36.968   90.308   2.8009   89.527   3.1058   93.709   6.4831  1863.47   32.417  1897.63   66.451 -34.15967 73.93613 
1 1 1   20   11   19 o  1114.49   37.746   33.052   1.6986   33.599   1.8971   30.842   3.8144  1141.42   32.328  1087.55   68.219 53.86523 75.49115 
1 1 1   20   11   21 o  969.958   35.972   24.066   1.4597   23.823   1.6385   24.998   3.2137  960.808   33.169  979.108   63.841 -18.29944 71.94351 
1 1 1   20   11   23 o  760.727   36.215   15.236   1.1593   15.382   1.3108   14.708   2.4845  771.740   33.035  749.714   64.457 22.02551 72.42921 
1 1 1   20   11   25 o  649.721   40.943   10.947   1.3677   10.947   1.3677   0.0000   0.0000  649.721   40.943  ?   ?       ?      ? 
1 1 1   20   11   27 f  428.822   43.529   5.1011   0.8102   5.3355   0.9527   4.4888   1.5397  453.226   40.886  404.419   76.860 48.80713 87.05843 
1 1 1   20   11   29 o  824.380   35.119   17.490   1.2496   17.240   1.4191   18.349   2.6366  815.494   33.848  833.267   61.544 -17.77325 70.23817 
1 1 1   20   11   31 o  428.978   38.155   4.4947   0.7835   3.9434   0.9283   5.8610   1.4613  387.980   46.536  469.976   60.477 -81.99576 76.30920 
1 1 1   20   11   33 f  348.063   36.524   2.9346   0.5672   2.6915   0.6451   3.7617   1.1901  321.014   39.088  375.111   61.711 -54.09723 73.04861 
1 1 1   20   11   35 o  171.197   38.471   0.6552   0.3196   0.5649   0.3561   1.0293   0.7247  145.743   43.903  196.651   63.187 -50.90822 76.94202 
1 1 1   20   11   37 o  480.067   40.691   6.5395   0.9080   7.1296   1.1079   5.3325   1.5845  520.162   41.429  439.971   70.047 80.19070 81.38110 
1 1 1   20   11   39 o  216.626   40.804   1.1388   0.3871   1.0162   0.4301   1.6613   0.8881  192.023   44.448  241.228   68.441 -49.20450 81.60792 
1 1 1   20   11   41 o  714.882   36.622   13.775   1.1527   13.760   1.3276   13.821   2.3234  723.052   35.714  706.711   63.947 16.34125 73.24417 
1 1 1   20   11   43 o  159.044   35.611   0.7191   0.3187   0.8424   0.3625   0.2988   0.6691  174.597   41.066  143.491   58.191 31.10620 71.22257 
1 1 1   20   11   45 o  530.944   36.346   7.3986   0.8652   7.0717   0.9958   8.4057   1.7479  515.588   37.566  546.301   62.232 -30.71320 72.69151 
1 1 1   20   11   47 o  332.088   40.715   3.0977   0.5637   3.0562   0.6407   3.2396   1.1859  338.170   36.850  326.006   72.614 12.16403 81.42905 
1 1 1   20   11   49 o  442.167   44.473   5.3707   1.0110   5.3707   1.0110   0.0000   0.0000  442.167   44.473  ?   ?       ?      ? 
1 1 1   20   11   51 o  269.447   38.200   1.7589   0.4546   1.3513   0.5173   3.1416   0.9527  215.608   47.908  323.286   59.512 -107.6782 76.39965 
1 1 1   20   12    0 o  655.218   75.347   11.527   2.4511   0.0000   0.0000   11.527   2.4511  655.218   75.347  655.218   75.347 -0.000000 0.000000 
1 1 1   20   12    2 o  770.448   43.206   15.759   1.4872   16.179   1.7333   14.589   2.8958  791.859   42.574  749.038   75.195 42.82141 86.41135 
1 1 1   20   12    4 o  533.181   43.471   7.3365   1.1916   7.3365   1.1916   0.0000   0.0000  533.181   43.471  ?   ?       ?      ? 
1 1 1   20   12    6 f  738.911   40.908   13.634   1.3800   13.082   1.6009   15.232   2.7226  711.929   43.738  765.893   69.144 -53.96436 81.81610 
1 1 1   20   12    8 o  1420.07   40.434   51.701   2.3449   51.376   2.6126   53.049   5.3181  1411.71   35.996  1428.42   72.415 -16.70447 80.86840 
1 1 1   20   12   10 o  916.886   38.601   20.933   1.4114   20.473   1.5553   23.084   3.3601  891.253   33.943  942.519   69.341 -51.26581 77.20250 
1 1 1   20   12   12 o  941.322   38.274   22.058   1.4167   21.592   1.5552   24.332   3.4339  915.279   33.050  967.365   69.045 -52.08600 76.54778 
1 1 1   20   12   14 o  558.799   41.263   8.4261   0.8779   8.5987   0.9658   7.6057   2.1058  577.585   32.524  540.014   75.848 37.57098 82.52676 
1 1 1   20   12   16 o  854.158   40.680   19.860   1.3343   20.373   1.4734   17.523   3.1468  888.963   32.237  819.353   74.701 69.60992 81.36037 
1 1 1   20   12   18 o  1267.36   35.871   39.620   1.8616   38.389   2.0642   44.985   4.3089  1220.02   32.909  1314.71   63.749 -94.69653 71.74152 
1 1 1   20   12   20 o  969.549   37.531   23.595   1.6762   22.649   1.9555   26.216   3.2547  936.026   40.635  1003.07   63.112 -67.04517 75.06188 
1 1 1   20   12   22 o  1089.85   37.751   30.472   1.9090   29.925   2.2487   31.884   3.6117  1075.24   40.678  1104.46   63.606 -29.21265 75.50145 
1 1 1   20   12   24 o  927.617   40.454   22.302   1.9293   22.302   1.9293   0.0000   0.0000  927.617   40.454  ?   ?       ?      ? 
1 1 1   20   12   26 o  437.600   45.913   5.7043   0.8592   6.5220   1.0335   3.8754   1.5457  501.288   40.102  373.912   82.608 127.3756 91.82694 
1 1 1   20   12   28 o  242.001   39.105   1.2920   0.3985   1.0783   0.4419   2.2209   0.9215  199.613   44.227  284.389   64.505 -84.77670 78.21052 
1 1 1   20   12   30 o  546.781   38.552   7.5435   0.9896   7.0921   1.1655   8.7101   1.8736  521.128   43.501  572.433   63.662 -51.30518 77.10467 
1 1 1   20   12   32 o  207.400   39.364   1.1030   0.3680   1.0591   0.4124   1.2747   0.8156  197.648   41.888  217.152   66.660 -19.50397 78.72878 
1 1 1   20   12   34 o  849.959   35.617   19.005   1.3182   18.897   1.5069   19.357   2.7204  851.447   34.424  848.470   62.364 2.976929 71.23415 
1 1 1   20   12   36 o  189.160   43.466   0.9629   0.4997   1.2211   0.6330   0.5358   0.8142  209.723   57.147  168.597   65.508 41.12596 86.93112 
1 1 1   20   12   38 o  159.146   43.046   0.6929   0.3607   0.6929   0.3607   0.0000   0.0000  159.146   43.046  ?   ?       ?      ? 
1 1 1   20   12   40 o  687.044   39.846   13.205   1.2881   13.889   1.5668   11.778   2.2627  723.555   42.118  650.533   67.652 73.02185 79.69146 
1 1 1   20   12   42 o  178.591   37.670   0.7454   0.3182   0.6289   0.3573   1.1928   0.7002  151.612   43.540  205.570   61.485 -53.95784 75.34027 
1 1 1   20   12   44 o  411.426   37.489   4.6260   0.6683   4.6196   0.7649   4.6466   1.3741  417.781   35.612  405.071   65.982 12.70993 74.97858 
1 1 1   20   12   46 o  200.120   40.274   1.2224   0.4546   1.5245   0.5607   0.6424   0.7767  232.388   48.495  167.852   64.312 64.53661 80.54710 
1 1 1   20   12   48 o  194.810   51.649   1.0976   0.5257   1.0976   0.5257   0.0000   0.0000  194.810   51.649  ?   ?       ?      ? 
1 1 1   20   12   50 o  520.393   53.957   8.5955   1.3223   11.937   1.9151   5.5513   1.8280  640.505   58.158  400.281   90.900 240.2242 107.9131 
1 1 1   20   13    1 o  1087.98   50.697   30.763   2.8331   29.070   3.9846   32.493   4.0291  1057.44   73.292  1118.52   70.063 -61.07617 101.3931 
1 1 1   20   13    3 o  422.639   54.213   6.2135   0.9518   7.6706   1.1120   2.2225   1.8404  545.344   39.662  299.934  100.912 245.4100 108.4267 
1 1 1   20   13    5 o  609.425   39.812   8.9446   1.1215   8.1818   1.3001   11.162   2.2170  562.941   44.921  655.908   65.743 -92.96771 79.62405 
1 1 1   20   13    7 o  702.243   45.659   13.559   1.3892   14.317   1.6099   11.348   2.7493  744.843   42.039  659.644   81.066 85.19849 91.31777 
1 1 1   20   13    9 o  1088.48   43.532   31.253   2.1244   31.838   2.4752   29.618   4.1398  1110.50   43.353  1066.45   75.503 44.04614 87.06435 
1 1 1   20   13   11 o  1134.61   37.464   31.131   1.6881   29.967   1.8518   36.860   4.1067  1078.23   33.406  1190.98   67.069 -112.7450 74.92813 
1 1 1   20   13   13 o  329.892   46.415   3.3787   0.5699   3.6312   0.6248   2.1277   1.3907  375.344   32.375  284.439   87.001 90.90433 92.82943 
1 1 1   20   13   15 o  1579.95   41.531   66.356   2.8922   67.943   3.3464   61.672   5.7499  1622.16   40.125  1537.75   72.728 84.40576 83.06243 
1 1 1   20   13   17 o  457.453   45.807   6.1166   0.7563   6.4359   0.8367   4.6917   1.7677  499.555   32.577  415.350   85.627 84.20523 91.61445 
1 1 1   20   13   19 o  963.471   39.036   24.897   1.4849   25.370   1.6488   22.864   3.4168  991.710   32.338  935.232   71.060 56.47772 78.07237 
1 1 1   20   13   21 o  837.025   38.373   18.054   1.4746   17.849   1.7282   18.604   2.8278  830.539   40.473  843.512   65.206 -12.97321 76.74552 
1 1 1   20   13   23 o  1039.07   32.966   27.901   1.7611   27.901   1.7611   0.0000   0.0000  1039.07   32.966  ?   ?       ?      ? 
1 1 1   20   13   25 o  622.882   34.231   9.5136   0.9288   9.0279   1.0501   11.258   1.9902  590.576   34.586  655.189   59.084 -64.61322 68.46283 
1 1 1   20   13   27 o  647.886   33.898   10.097   0.9570   9.4087   1.0788   12.639   2.0732  602.503   34.828  693.270   58.166 -90.76715 67.79604 
1 1 1   20   13   29 o  373.222   33.428   2.7870   0.5502   2.0731   0.6147   5.6653   1.2343  281.952   42.406  464.492   51.687 -182.5399 66.85633 
1 1 1   20   13   31 o  938.318   39.153   24.192   1.7091   25.636   2.0628   21.031   3.0521  990.918   40.490  885.717   67.025 105.2011 78.30571 
1 1 1   20   13   33 o  278.638   39.182   1.9587   0.4682   1.8377   0.5294   2.3933   1.0034  265.128   38.835  292.148   68.064 -27.01956 78.36373 
1 1 1   20   13   35 o  167.241   41.409   0.6726   0.3805   0.7022   0.4225   0.5454   0.8757  161.414   47.637  173.067   67.745 -11.65283 82.81744 
1 1 1   20   13   37 o  168.832   50.341   0.7735   0.4699   0.7735   0.4699   0.0000   0.0000  168.832   50.341  ?   ?       ?      ? 
1 1 1   20   13   39 f  150.917   36.607   0.5426   0.2949   0.5344   0.3295   0.5758   0.6615  141.021   42.179  160.814   59.844 -19.79279 73.21413 
1 1 1   20   13   41 o  290.246   37.742   2.1513   0.4736   1.9950   0.5389   2.6818   0.9926  274.721   38.153  305.772   65.132 -31.05118 75.48357 
1 1 1   20   13   43 o  397.439   48.511   5.7766   0.7632   6.9261   0.8860   2.4705   1.5025  512.680   33.612  282.198   91.013 230.4819 97.02168 
1 1 1   20   13   45 o  388.269   47.508   5.2204   0.7357   6.0215   0.8525   2.8829   1.4563  476.544   34.796  299.994   88.415 176.5506 95.01602 
1 1 1   20   13   47 o  171.111   51.336   0.8297   0.4876   0.8297   0.4876   0.0000   0.0000  171.111   51.336  ?   ?       ?      ? 
1 1 1   20   13   49 o  201.208   46.121   1.1506   0.5672   0.6775   0.7671   1.7212   0.8423  166.410   63.875  236.006   66.548 -69.59621 92.24190 
1 1 1   20   13   51 o  211.346   43.708   1.2772   0.4799   1.0416   0.5803   1.7868   0.8535  186.165   56.041  236.527   67.090 -50.36191 87.41650 
1 1 1   20   14    0 o  203.547   90.840   1.5483   1.0096   0.0000   0.0000   1.5483   1.0096  203.547   90.840  203.547   90.840 -0.000000 0.000000 
1 1 1   20   14    2 o  1377.19   40.384   46.967   2.5956   44.253   3.0429   54.217   4.9731  1309.13   45.210  1445.24   66.930 -136.1034 80.76888 
1 1 1   20   14    4 o  1435.27   42.000   54.076   2.7286   54.896   3.1922   51.853   5.2572  1458.43   42.573  1412.12   72.412 46.30518 83.99982 
1 1 1   20   14    6 o  910.544   40.149   20.171   1.6777   18.746   1.9409   24.381   3.3363  852.081   44.306  969.008   66.968 -116.9267 80.29792 
1 1 1   20   14    8 o  552.993   36.554   6.5187   0.8509   5.6591   0.9374   10.545   2.0286  468.367   38.927  637.619   61.882 -169.2522 73.10722 
1 1 1   20   14   10 o  1115.39   41.616   31.878   2.0495   31.526   2.3517   32.989   4.1790  1105.11   41.391  1125.67   72.209 -20.55469 83.23112 
1 1 1   20   14   12 f  559.821   39.076   7.8294   0.8568   7.6776   0.9400   8.5752   2.0833  545.721   33.504  573.920   70.605 -28.19885 78.15146 
1 1 1   20   14   14 o  1337.37   40.716   48.166   2.0936   49.123   2.3086   43.732   4.9679  1380.35   32.530  1294.38   74.653 85.97583 81.43233 
1 1 1   20   14   16 o  887.289   39.242   19.738   1.5798   19.004   1.8277   21.907   3.1420  857.584   41.453  916.994   66.644 -59.40973 78.48468 
1 1 1   20   14   18 o  1042.39   37.858   27.716   1.5753   27.437   1.7415   28.970   3.6951  1031.28   32.846  1053.51   68.221 -22.23254 75.71645 
1 1 1   20   14   20 o  230.494   44.994   1.1181   0.5596   0.5189   0.6754   2.4309   0.9996  161.794   60.418  299.194   66.689 -137.4002 89.98740 
1 1 1   20   14   22 o  1084.91   32.924   30.412   1.8364   30.412   1.8364   0.0000   0.0000  1084.91   32.924  ?   ?       ?      ? 
1 1 1   20   14   24 o  872.544   36.298   19.444   1.3175   19.157   1.4746   20.583   2.9329  860.570   33.329  884.518   64.494 -23.94830 72.59693 
1 1 1   20   14   26 o  901.588   40.012   22.123   1.6446   23.169   1.9513   19.558   3.0554  944.363   40.190  858.812   69.198 85.55090 80.02300 
1 1 1   20   14   28 o  1480.04   35.058   55.761   2.2205   54.490   2.5079   60.372   4.7770  1449.58   33.651  1510.50   61.512 -60.91711 70.11522 
1 1 1   20   14   30 o  754.245   37.410   14.582   1.3418   13.934   1.6009   16.110   2.4600  730.197   42.644  778.294   61.477 -48.09778 74.81968 
1 1 1   20   14   32 o  504.294   37.215   6.5656   0.7954   6.4387   0.8962   7.0367   1.7262  497.177   35.061  511.411   65.654 -14.23422 74.42934 
1 1 1   20   14   34 o  243.821   39.005   1.2515   0.3998   0.9757   0.4419   2.4945   0.9382  188.639   45.982  299.004   63.016 -110.3647 78.00903 
1 1 1   20   14   36 o  449.556   43.959   5.3440   1.0160   5.3440   1.0160   0.0000   0.0000  449.556   43.959  ?   ?       ?      ? 
1 1 1   20   14   38 o  301.832   34.544   2.1110   0.4734   1.7924   0.5389   3.1881   0.9909  260.519   40.234  343.146   56.165 -82.62726 69.08881 
1 1 1   20   14   40 o  488.678   37.639   6.1563   0.8979   5.5376   1.0882   7.4762   1.5894  454.976   46.523  522.380   59.181 -67.40317 75.27841 
1 1 1   20   14   42 o  163.863   36.890   0.6320   0.2972   0.5574   0.3327   0.9271   0.6619  143.211   42.272  184.514   60.469 -41.30304 73.77969 
1 1 1   20   14   44 o  344.444   35.900   2.9739   0.5562   2.7100   0.6356   3.8375   1.1497  318.827   38.774  370.060   60.429 -51.23270 71.79945 
1 1 1   20   14   46 o  158.335   39.837   0.6420   0.4058   0.6259   0.5419   0.6625   0.6123  155.499   54.671  161.171   57.958 -5.672333 79.67475 
1 1 1   20   14   48 o  214.967   43.981   1.3722   0.4869   1.3718   0.5783   1.3731   0.9022  217.053   52.416  212.882   70.639 4.171890 87.96194 
1 1 1   20   14   50 o  364.947   35.517   2.7697   0.5571   1.7072   0.6272   6.7388   1.2123  240.841   52.165  489.054   48.215 -248.2134 71.03439 
1 1 1   20   15    1 o  896.754   51.193   20.909   2.3592   20.076   3.3073   21.772   3.3663  878.459   73.229  915.048   71.555 -36.58893 102.3850 
1 1 1   20   15    3 o  152.356   38.265   0.4037   0.2996   0.3243   0.3283   0.7987   0.7323  120.339   42.530  184.372   63.623 -64.03306 76.52921 
1 1 1   20   15    5 o  1756.03   43.092   82.082   3.3677   84.363   3.9188   75.639   6.5860  1807.84   42.162  1704.21   75.167 103.6338 86.18449 
1 1 1   20   15    7 o  1426.02   40.812   50.412   2.6414   48.020   3.0496   57.599   5.2852  1363.66   43.498  1488.38   69.068 -124.7255 81.62364 
1 1 1   20   15    9 o  181.467   40.666   0.7869   0.3623   0.7676   0.4032   0.8677   0.8254  169.473   45.371  193.462   67.501 -23.98915 81.33228 
1 1 1   20   15   11 o  2042.87   40.188  108.221   3.1667  108.246   3.4765  108.101   7.6739  2049.16   32.999  2036.57   73.290 12.58533 80.37617 
1 1 1   20   15   13 o  1008.77   37.071   24.275   1.4952   23.151   1.6405   29.794   3.6338  947.485   33.678  1070.06   66.052 -122.5701 74.14165 
1 1 1   20   15   15 o  321.072   38.346   2.1604   0.4716   1.9008   0.5100   3.6899   1.2378  271.371   36.555  370.772   67.420 -99.40097 76.69227 
1 1 1   20   15   17 o  575.262   37.764   8.0946   0.8656   7.8256   0.9514   9.3876   2.0858  550.723   33.602  599.801   67.640 -49.07721 75.52699 
1 1 1   20   15   19 o  723.757   40.521   13.571   1.3008   13.505   1.4986   13.772   2.6199  722.530   40.342  724.984   70.289 -2.454285 81.04299 
1 1 1   20   15   21 f  557.814   33.458   8.0402   0.9595   8.0402   0.9595   0.0000   0.0000  557.814   33.458  ?   ?       ?      ? 
1 1 1   20   15   23 o  415.509   41.731   4.7005   0.6687   4.7712   0.7448   4.4065   1.5184  429.480   33.730  401.537   76.342 27.94305 83.46158 
1 1 1   20   15   25 o  1273.34   36.584   41.979   1.9358   41.688   2.1704   43.111   4.2809  1268.96   33.267  1277.72   65.168 -8.761230 73.16771 
1 1 1   20   15   27 o  609.111   36.939   8.9799   1.0615   7.9712   1.2440   11.682   2.0360  552.892   43.763  665.330   59.521 -112.4385 73.87809 
1 1 1   20   15   29 o  620.336   32.927   8.7152   0.8997   7.6163   1.0106   12.913   1.9754  541.172   36.324  699.500   54.930 -158.3275 65.85349 
1 1 1   20   15   31 o  633.924   36.278   9.6570   1.1037   8.1419   1.3068   13.428   2.0616  556.778   45.652  711.071   56.393 -154.2939 72.55504 
1 1 1   20   15   33 o  188.895   39.128   0.7504   0.3205   0.6260   0.3494   1.4096   0.8043  152.229   42.836  225.560   65.490 -73.33057 78.25537 
1 1 1   20   15   35 o  390.595   43.894   4.0297   0.8815   4.0297   0.8815   0.0000   0.0000  390.595   43.894  ?   ?       ?      ? 
1 1 1   20   15   37 o  471.037   41.001   6.0525   0.9062   6.1123   1.0862   5.9155   1.6435  480.089   44.008  461.985   69.194 18.10410 82.00300 
1 1 1   20   15   39 o  445.905   41.880   5.8256   0.7548   6.1313   0.8657   4.8560   1.5417  483.057   34.856  408.753   76.162 74.30411 83.75941 
1 1 1   20   15   41 o  289.594   43.162   2.7610   0.5513   3.1504   0.6339   1.5526   1.1168  345.615   35.674  233.572   78.608 112.0436 86.32428 
1 1 1   20   15   43 o  183.613   39.894   0.9797   0.4469   1.3210   0.5505   0.3205   0.7651  216.331   50.429  150.895   61.831 65.43600 79.78771 
1 1 1   20   15   45 o  589.357   47.584   10.147   1.4080   12.305   1.9820   7.9482   2.0005  661.571   58.273  517.143   75.242 144.4281 95.16888 
1 1 1   20   15   47 o  463.815   37.804   5.7873   0.9015   5.7873   0.9015   0.0000   0.0000  463.815   37.804  ?   ?       ?      ? 
1 1 1   20   15   49 o  267.101   39.258   1.6897   0.5114   0.9719   0.6022   3.5457   0.9683  181.848   57.511  352.354   53.453 -170.5056 78.51586 
1 1 1   20   16    0 o  829.344   75.085   18.225   3.1412   0.0000   0.0000   18.225   3.1412  829.344   75.085  829.344   75.085 -0.000000 0.000000 
1 1 1   20   16    2 o  1480.14   42.620   54.696   3.0690   50.693   3.7168   63.275   5.4406  1399.86   51.643  1560.42   67.816 -160.5538 85.24099 
1 1 1   20   16    4 o  1109.58   42.106   31.946   2.1365   31.977   2.5050   31.862   4.0918  1112.75   43.787  1106.42   71.932 6.337891 84.21130 
1 1 1   20   16    6 o  850.656   45.356   19.926   1.6808   21.094   1.9542   16.607   3.2952  903.884   42.052  797.428   80.375 106.4562 90.71113 
1 1 1   20   16    8 o  2107.90   41.445  111.766   3.9271  108.279   4.5259  122.388   7.8999  2047.57   42.993  2168.23   70.867 -120.6600 82.88905 
1 1 1   20   16   10 o  969.675   38.284   22.705   1.4619   21.854   1.5999   27.010   3.5984  920.634   33.800  1018.72   68.704 -98.08270 76.56816 
1 1 1   20   16   12 o  312.819   46.688   3.0800   0.5629   3.3396   0.6168   1.7864   1.3770  359.863   33.335  265.775   87.223 94.08817 93.37631 
1 1 1   20   16   14 o  762.924   39.916   15.088   1.1848   15.077   1.3034   15.140   2.8424  764.550   33.160  761.299   72.620 3.251221 79.83245 
1 1 1   20   16   16 o  609.353   45.472   9.3715   1.3947   8.2731   1.7662   11.191   2.2732  563.838   60.926  654.868   67.518 -91.03052 90.94324 
1 1 1   20   16   18 o  1473.78   39.959   56.182   3.0277   56.182   3.0277   0.0000   0.0000  1473.78   39.959  ?   ?       ?      ? 
1 1 1   20   16   20 o  456.279   41.585   5.3944   0.9755   5.3944   0.9755   0.0000   0.0000  456.279   41.585  ?   ?       ?      ? 
1 1 1   20   16   22 o  195.224   39.983   0.9923   0.3415   1.0122   0.3693   0.8752   0.8968  194.339   38.326  196.110   70.183 -1.770920 79.96571 
1 1 1   20   16   24 o  639.297   37.822   10.588   0.9893   10.517   1.1035   10.875   2.2330  637.370   33.674  641.223   67.735 -3.853027 75.64402 
1 1 1   20   16   26 o  1308.78   37.996   43.701   2.3168   42.052   2.7257   47.992   4.3976  1270.94   41.715  1346.62   63.519 -75.68408 75.99213 
1 1 1   20   16   28 o  459.020   38.788   5.6611   0.7302   5.7357   0.8197   5.3746   1.6070  470.045   33.918  447.995   69.769 22.05002 77.57649 
1 1 1   20   16   30 o  260.901   42.711   1.9852   0.5381   2.2160   0.6404   1.4309   0.9924  290.936   42.813  230.866   73.918 60.06970 85.42115 
1 1 1   20   16   32 o  151.981   34.612   0.6467   0.2968   0.7815   0.3263   0.0000   0.7145  169.629   38.315  134.334   57.654 35.29433 69.22408 
1 1 1   20   16   34 o  159.581   46.912   0.6872   0.4104   0.6872   0.4104   0.0000   0.0000  159.581   46.912  ?   ?       ?      ? 
1 1 1   20   16   36 o  334.766   41.212   2.8867   0.6396   2.5987   0.7569   3.6058   1.1960  312.510   47.108  357.021   67.636 -44.51077 82.42429 
1 1 1   20   16   38 o  352.538   36.154   2.7483   0.5580   2.2888   0.6228   4.6164   1.2558  293.989   41.206  411.086   59.417 -117.0972 72.30723 
1 1 1   20   16   40 o  200.359   44.965   0.8844   0.5501   0.2929   0.6928   1.8936   0.9048  145.287   59.103  255.431   67.781 -110.1439 89.92999 
1 1 1   20   16   42 o  123.177   32.130   0.2034   0.2668   0.0000   0.3225   0.6445   0.4750   90.514   38.789  155.840   51.231 -65.32602 64.25905 
1 1 1   20   16   44 o  286.411   39.806   2.1648   0.4986   2.0143   0.5696   2.6582   1.0311  274.097   40.421  298.726   68.586 -24.62833 79.61125 
1 1 1   20   16   46 o  520.362   46.155   7.4193   1.2348   7.4193   1.2348   0.0000   0.0000  520.362   46.155  ?   ?       ?      ? 
1 1 1   20   16   48 o  461.170   37.993   5.7567   0.9008   5.7567   0.9008   0.0000   0.0000  461.170   37.993  ?   ?       ?      ? 
1 1 1   20   16   50 o  286.409   40.452   2.2271   0.5054   2.0194   0.5752   2.9304   1.0586  270.227   41.401  302.591   69.508 -32.36407 80.90411 
1 1 1   20   17    1 o  411.203   55.365   4.5567   1.1274   4.7970   1.5921   4.3150   1.5966  422.780   76.040  399.626   80.493 23.15430 110.7304 
1 1 1   20   17    3 o  1326.27   43.006   45.054   2.7198   44.109   3.2666   47.190   4.9103  1306.07   48.648  1346.47   70.932 -40.40503 86.01168 
1 1 1   20   17    5 o  602.741   44.324   9.3855   1.3735   9.3855   1.3735   0.0000   0.0000  602.741   44.324  ?   ?       ?      ? 
1 1 1   20   17    7 o  1188.84   40.985   35.076   2.2099   33.431   2.5509   40.025   4.4248  1137.59   43.614  1240.08   69.402 -102.4824 81.96903 
1 1 1   20   17    9 o  204.751   40.549   1.2461   0.4543   1.5476   0.5223   0.3095   0.9207  241.054   43.759  168.448   68.279 72.60580 81.09822 
1 1 1   20   17   11 o  436.290   40.304   4.7195   0.6813   4.6096   0.7447   5.2836   1.6875  422.731   34.267  449.848   72.962 -27.11673 80.60792 
1 1 1   20   17   13 o  497.166   41.959   6.6001   0.7979   6.6928   0.8774   6.1571   1.9183  509.364   33.506  484.969   76.939 24.39523 83.91754 
1 1 1   20   17   15 o  962.587   45.247   26.190   1.8109   27.915   2.0725   20.623   3.7233  1039.44   38.782  885.733   81.763 153.7089 90.49454 
1 1 1   20   17   17 o  308.865   41.420   2.4688   0.6577   2.4688   0.6577   0.0000   0.0000  308.865   41.420  ?   ?       ?      ? 
1 1 1   20   17   19 o  372.807   41.782   3.5391   0.5927   3.4576   0.6510   3.9343   1.4335  365.744   34.620  379.869   76.054 -14.12512 83.56331 
1 1 1   20   17   21 o  255.835   42.148   2.1172   0.4674   2.3775   0.5152   0.9077   1.1106  303.229   33.046  208.440   77.548 94.78981 84.29591 
1 1 1   20   17   23 o  569.135   40.085   8.7761   0.9026   8.9502   1.0037   8.0395   2.0643  588.054   33.197  550.217   72.974 37.83661 80.17014 
1 1 1   20   17   25 o  991.485   39.040   26.700   1.5595   27.284   1.7446   24.379   3.4793  1026.19   33.067  956.776   70.731 69.41882 78.07900 
1 1 1   20   17   27 o  784.838   38.395   15.445   1.4062   14.447   1.6476   18.122   2.6988  743.911   43.078  825.766   63.570 -81.85449 76.79058 
1 1 1   20   17   29 o  364.942   45.436   4.0571   0.6314   4.3347   0.7058   2.9440   1.4133  408.384   33.616  321.500   84.425 86.88376 90.87109 
1 1 1   20   17   31 o  326.617   38.763   2.3459   0.5063   2.0431   0.5542   3.8728   1.2446  279.548   38.564  373.685   67.253 -94.13724 77.52505 
1 1 1   20   17   33 o  170.715   49.427   0.7912   0.4587   0.7912   0.4587   0.0000   0.0000  170.715   49.427  ?   ?       ?      ? 
1 1 1   20   17   35 o  334.053   41.875   3.0803   0.5800   3.0883   0.6581   3.0525   1.2277  342.960   37.323  325.146   74.973 17.81369 83.74953 
1 1 1   20   17   37 o  665.021   41.665   12.482   1.2807   13.173   1.5408   10.939   2.3034  704.912   42.514  625.130   71.669 79.78217 83.33022 
1 1 1   20   17   39 o  656.388   38.267   10.776   1.2055   9.2989   1.4300   14.403   2.2412  588.991   47.223  723.786   60.229 -134.7955 76.53465 
1 1 1   20   17   41 o  389.528   40.643   3.9316   0.7626   3.5085   0.9110   4.9213   1.3936  360.109   49.208  418.947   64.699 -58.83716 81.28603 
1 1 1   20   17   43 o  241.663   40.963   1.3762   0.4225   1.1481   0.4697   2.3409   0.9660  202.273   46.186  281.052   67.668 -78.77843 81.92683 
1 1 1   20   17   45 o  273.748   51.787   2.1319   0.7022   2.1319   0.7022   0.0000   0.0000  273.748   51.787  ?   ?       ?      ? 
1 1 1   20   17   47 o  206.431   38.627   1.4321   0.4390   1.7331   0.4966   0.3552   0.9392  253.317   38.130  159.546   67.189 93.77115 77.25415 
1 1 1   20   17   49 o  286.060   53.118   2.6923   0.8052   2.1094   1.1276   3.2990   1.1503  250.627   78.621  321.493   71.448 -70.86670 106.2363 
1 1 1   20   18    0 o  1770.75   72.853   81.558   6.6069   81.558   6.6069   0.0000   0.0000  1770.75   72.853  1770.75   72.853 0.000000 0.000000 
1 1 1   20   18    2 o  341.956   46.965   2.9172   0.7542   2.4938   0.9074   3.8636   1.3565  304.863   60.027  379.048   72.246 -74.18454 93.92953 
1 1 1   20   18    4 f  1278.65   41.802   40.530   2.5465   37.685   3.0259   47.436   4.7146  1207.03   48.760  1350.28   67.913 -143.2490 83.60491 
1 1 1   20   18    6 o  467.803   42.410   5.3604   0.9115   5.0033   1.0561   6.4032   1.8047  439.873   46.697  495.732   70.808 -55.85907 84.81973 
1 1 1   20   18    8 o  1757.21   37.551   73.854   2.4448   71.333   2.6375   89.243   6.5164  1663.55   30.838  1850.88   68.479 -187.3287 75.10220 
1 1 1   20   18   10 o  1068.01   38.710   27.622   1.6266   26.611   1.7802   32.737   4.0039  1015.66   34.091  1120.36   69.511 -104.7018 77.42064 
1 1 1   20   18   12 o  1087.80   41.781   30.510   1.9458   30.314   2.2056   31.198   4.1324  1083.25   39.603  1092.36   73.582 -9.106445 83.56208 
1 1 1   20   18   14 o  669.621   39.818   11.590   1.3708   11.590   1.3708   0.0000   0.0000  669.621   39.818  ?   ?       ?      ? 
1 1 1   20   18   16 o  230.173   49.297   1.4268   0.5658   1.4268   0.5658   0.0000   0.0000  230.173   49.297  ?   ?       ?      ? 
1 1 1   20   18   18 o  334.129   46.138   3.0635   0.5591   3.1011   0.6064   2.8499   1.4448  346.397   34.047  321.861   85.764 24.53555 92.27522 
1 1 1   20   18   20 o  385.495   48.424   4.2924   0.7610   4.5414   0.8664   3.4521   1.5917  418.500   40.266  352.490   88.080 66.01068 96.84721 
1 1 1   20   18   22 o  1301.88   36.825   41.720   1.9477   40.187   2.1526   48.646   4.5749  1246.00   33.602  1357.77   65.537 -111.7715 73.64965 
1 1 1   20   18   24 o  736.616   40.195   14.685   1.1682   14.938   1.2972   13.600   2.6867  759.330   33.229  713.902   73.201 45.42810 80.39034 
1 1 1   20   18   26 o  678.208   42.671   12.839   1.2800   13.602   1.5013   10.808   2.4495  722.580   40.412  633.836   75.167 88.74384 85.34184 
1 1 1   20   18   28 o  330.031   34.829   2.3264   0.5032   1.9149   0.5612   4.0153   1.1369  270.825   40.305  389.237   56.813 -118.4118 69.65771 
1 1 1   20   18   30 o  294.865   45.305   2.8845   0.6257   3.4698   0.7278   1.2250   1.2254  364.335   38.854  225.396   81.857 138.9393 90.61000 
1 1 1   20   18   32 o  361.462   44.369   3.4445   0.8245   3.4445   0.8245   0.0000   0.0000  361.462   44.369  ?   ?       ?      ? 
1 1 1   20   18   34 o  449.363   38.472   5.2775   0.7270   5.1724   0.8173   5.6762   1.5914  444.332   35.777  454.395   68.120 -10.06335 76.94400 
1 1 1   20   18   36 o  685.180   39.620   12.478   1.2897   12.108   1.5447   13.329   2.3435  675.104   44.505  695.256   65.561 -20.15277 79.23988 
1 1 1   20   18   38 o  341.431   50.381   3.3583   0.8524   3.1838   1.1462   3.5744   1.2751  332.265   69.339  350.598   73.109 -18.33286 100.7611 
1 1 1   20   18   40 o  163.208   40.566   0.5662   0.3879   0.4042   0.4549   0.9982   0.7427  134.707   49.727  191.709   64.107 -57.00203 81.13254 
1 1 1   20   18   42 o  356.165   44.982   3.9385   0.6408   4.1897   0.7274   3.0685   1.3539  397.672   35.580  314.658   82.630 83.01382 89.96429 
1 1 1   20   18   44 o   86.595   37.162   0.0000   0.2968   0.0000   0.2968   0.0000   0.0000   86.595   37.162  ?   ?       ?      ? 
1 1 1   20   18   46 o  309.696   48.905   3.0796   0.6891   3.2742   0.7963   2.4997   1.3750  345.538   44.827  273.854   86.933 71.68420 97.80988 
1 1 1   20   18   48 o  269.349   44.153   2.1678   0.5140   2.1577   0.5757   2.2074   1.1410  281.034   39.847  257.664   78.805 23.36942 88.30679 
1 1 1   20   19    1 o  1641.73   51.621   70.364   4.3522   73.899   6.1396   66.793   6.1705  1683.89   70.918  1599.58   75.032 84.30762 103.2429 
1 1 1   20   19    3 o  797.254   50.113   16.454   2.0541   16.454   2.0541   0.0000   0.0000  797.254   50.113  ?   ?       ?      ? 
1 1 1   20   19    5 o  357.664   48.997   3.3112   0.9010   3.3112   0.9010   0.0000   0.0000  357.664   48.997  ?   ?       ?      ? 
1 1 1   20   19    7 o  1540.18   37.817   56.604   2.3526   53.852   2.5880   69.698   5.6451  1444.76   34.842  1635.61   67.131 -190.8510 75.63386 
1 1 1   20   19    9 o  1694.35   45.553   72.824   3.8311   67.828   4.7597   82.018   6.4563  1616.19   57.281  1772.51   70.847 -156.3214 91.10696 
1 1 1   20   19   11 o  736.639   39.615   14.020   1.5003   14.020   1.5003   0.0000   0.0000  736.639   39.615  ?   ?       ?      ? 
1 1 1   20   19   13 o  1228.36   33.404   38.944   2.1096   38.944   2.1096   0.0000   0.0000  1228.36   33.404  ?   ?       ?      ? 
1 1 1   20   19   15 f  235.370   47.449   1.4879   0.5544   1.4879   0.5544   0.0000   0.0000  235.370   47.449  ?   ?       ?      ? 
1 1 1   20   19   17 o  870.253   40.770   19.869   1.3677   19.921   1.5028   19.622   3.3006  878.012   33.290  862.495   74.434 15.51685 81.53913 
1 1 1   20   19   19 o  290.354   45.979   2.3780   0.5880   2.4976   0.6685   1.9696   1.2356  310.232   41.915  270.477   81.850 39.75461 91.95832 
1 1 1   20   19   21 o  665.773   38.054   10.937   1.0130   10.567   1.1149   12.686   2.4259  638.890   33.942  692.655   68.121 -53.76556 76.10806 
1 1 1   20   19   23 o  377.137   37.307   3.2505   0.5699   2.9895   0.6242   4.5566   1.3965  339.491   35.764  414.782   65.485 -75.29080 74.61497 
1 1 1   20   19   25 o  516.241   43.658   7.3806   0.9931   7.7289   1.1584   6.4148   1.9289  544.545   41.376  487.937   76.890 56.60770 87.31628 
1 1 1   20   19   27 o  959.445   42.015   25.261   1.7936   26.180   2.0958   22.745   3.4677  1001.37   40.708  917.522   73.511 83.84515 84.03020 
1 1 1   20   19   29 o  236.775   38.057   1.0657   0.3726   0.7706   0.4076   2.5682   0.9197  168.446   45.837  305.103   60.764 -136.6572 76.11419 
1 1 1   20   19   31 o  556.821   42.474   8.1528   1.2159   8.1528   1.2159   0.0000   0.0000  556.821   42.474  ?   ?       ?      ? 
1 1 1   20   19   33 o  229.862   43.436   1.5144   0.5039   1.6143   0.6055   1.2896   0.9087  242.024   50.303  217.700   70.827 24.32379 86.87291 
1 1 1   20   19   35 o  146.128   41.840   0.2967   0.4737   0.2789   0.5941   0.3279   0.7850  137.536   55.162  154.720   62.924 -17.18459 83.68005 
1 1 1   20   19   37 f  210.449   42.754   0.9899   0.4553   0.6425   0.5292   1.9785   0.8927  158.677   54.111  262.220   66.208 -103.5433 85.50773 
1 1 1   20   19   39 o  494.949   41.998   7.1105   0.8522   7.4092   0.9676   6.0773   1.7996  530.095   35.503  459.804   76.125 70.29062 83.99689 
1 1 1   20   19   41 o  354.116   44.492   3.8235   0.6287   4.0238   0.7116   3.1116   1.3415  389.951   35.496  318.280   81.597 71.67041 88.98338 
1 1 1   20   19   43 o  389.404   45.360   4.1158   0.9081   4.1158   0.9081   0.0000   0.0000  389.404   45.360  ?   ?       ?      ? 
1 1 1   20   19   45 o  198.656   43.735   1.0983   0.4071   1.0999   0.4415   1.0894   1.0512  197.185   44.594  200.128   75.249 -2.943832 87.47006 
1 1 1   20   19   47 f  264.380   40.762   1.5572   0.4622   1.1323   0.5145   3.3311   1.0514  196.975   50.554  331.785   63.957 -134.8108 81.52463 
1 1 1   20   19   49 o  182.169   43.741   0.9280   0.4386   0.8606   0.5025   1.1432   0.8984  170.792   52.309  193.546   70.120 -22.75401 87.48217 
1 1 1   20   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20    2 o  501.022   71.130   6.5508   1.8322   6.5508   1.8322   0.0000   0.0000  501.022   71.130  ?   ?       ?      ? 
1 1 1   20   20    4 o  255.998   70.472   1.7631   0.9568   1.7631   0.9568   0.0000   0.0000  255.998   70.472  ?   ?       ?      ? 
1 1 1   20   20    6 o  1017.67   40.863   26.760   2.1380   26.760   2.1380   0.0000   0.0000  1017.67   40.863  ?   ?       ?      ? 
1 1 1   20   20    8 o  1504.51   43.541   58.539   3.3680   58.539   3.3680   0.0000   0.0000  1504.51   43.541  ?   ?       ?      ? 
1 1 1   20   20   10 o  580.703   56.704   8.7636   1.6929   8.7636   1.6929   0.0000   0.0000  580.703   56.704  ?   ?       ?      ? 
1 1 1   20   20   12 f  1535.97   42.146   61.055   3.3282   61.055   3.3282   0.0000   0.0000  1535.97   42.146  ?   ?       ?      ? 
1 1 1   20   20   14 o  289.005   34.402   1.1907   0.3823   0.7273   0.4087   4.4298   1.0807  165.165   46.280  412.846   50.913 -247.6811 68.80426 
1 1 1   20   20   16 o  439.903   42.114   4.8679   0.8264   4.6834   0.9477   5.4535   1.6885  424.906   43.381  454.900   72.198 -29.99356 84.22846 
1 1 1   20   20   18 o  1147.56   42.171   35.841   1.8343   36.534   2.0165   32.517   4.4158  1188.59   32.998  1106.54   77.619 82.05139 84.34251 
1 1 1   20   20   20 o  739.785   38.323   13.301   1.1207   12.763   1.2276   15.994   2.7456  702.110   34.007  777.460   68.689 -75.35052 76.64597 
1 1 1   20   20   22 o  575.847   34.653   6.9794   0.8216   6.0393   0.8982   11.797   2.0333  482.469   36.210  669.226   59.095 -186.7574 69.30619 
1 1 1   20   20   24 o  306.082   40.346   2.2154   0.4817   2.0543   0.5268   3.0378   1.1903  281.185   36.438  330.979   71.997 -49.79474 80.69224 
1 1 1   20   20   26 o  524.655   39.591   6.6928   0.9548   6.0434   1.1017   8.6520   1.9135  480.422   44.603  568.887   65.424 -88.46539 79.18186 
1 1 1   20   20   28 o  533.153   43.806   7.9106   1.0284   8.2416   1.1983   6.9849   2.0039  561.018   41.545  505.288   77.136 55.72906 87.61239 
1 1 1   20   20   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   32 o  479.550   42.861   6.3339   0.9337   6.4794   1.1002   5.9595   1.7650  495.475   43.190  463.625   74.047 31.85028 85.72272 
1 1 1   20   20   34 o  235.124   41.719   1.3207   0.4176   1.1643   0.4625   2.0112   0.9719  205.714   44.986  264.534   70.273 -58.82045 83.43890 
1 1 1   20   20   36 o  274.777   46.803   2.1455   0.6018   2.1797   0.6962   2.0446   1.1967  285.464   47.438  264.090   80.694 21.37488 93.60520 
1 1 1   20   20   38 o  236.019   39.123   1.3213   0.3921   1.1386   0.4364   2.0878   0.8936  203.168   43.111  268.870   65.298 -65.70190 78.24569 
1 1 1   20   20   40 o  410.067   51.711   6.3228   0.9279   8.1943   1.1149   2.1040   1.6739  555.099   39.065  265.035   95.760 290.0639 103.4217 
1 1 1   20   20   42 o  181.762   41.041   0.9379   0.4132   1.0159   0.4810   0.7181   0.8073  189.417   49.020  174.106   65.837 15.31085 82.08147 
1 1 1   20   20   44 o  178.018   37.611   0.4553   0.3104   0.2070   0.3371   1.8389   0.7958  107.492   42.046  248.544   62.374 -141.0518 75.22169 
1 1 1   20   20   46 o  307.793   49.787   2.8678   0.6951   2.8201   0.7991   3.0159   1.4088  317.806   48.908  297.779   86.735 20.02695 99.57400 
1 1 1   20   20   48 o  270.953   45.268   2.4084   0.5395   2.5254   0.6023   1.9337   1.2136  303.861   38.552  238.046   81.918 65.81497 90.53669 
1 1 1   20   21    1 o  256.467   41.384   1.7774   0.5338   1.8660   0.7510   1.6871   0.7589  263.088   57.157  249.847   59.863 13.24026 82.76825 
1 1 1   20   21    3 o  471.010   31.728   5.7344   0.7661   5.1620   1.0657   6.3468   1.1022  446.598   46.413  495.423   43.272 -48.82523 63.45624 
1 1 1   20   21    5 f  239.154   44.475   1.4572   0.4731   1.4159   0.5288   1.6231   1.0592  229.836   46.354  248.472   75.917 -18.63573 88.94972 
1 1 1   20   21    7 o  1051.97   44.504   28.639   2.4070   28.639   2.4070   0.0000   0.0000  1051.97   44.504  ?   ?       ?      ? 
1 1 1   20   21    9 o  1507.27   37.597   58.704   2.9135   58.704   2.9135   0.0000   0.0000  1507.27   37.597  ?   ?       ?      ? 
1 1 1   20   21   11 o  255.404   49.400   1.7496   0.6252   1.7496   0.6252   0.0000   0.0000  255.404   49.400  ?   ?       ?      ? 
1 1 1   20   21   13 o  1077.14   42.296   30.063   2.3423   30.063   2.3423   0.0000   0.0000  1077.14   42.296  ?   ?       ?      ? 
1 1 1   20   21   15 o  684.804   43.302   12.078   1.2946   11.899   1.4773   12.671   2.6872  677.319   42.424  692.288   75.500 -14.96875 86.60307 
1 1 1   20   21   17 o  282.007   45.798   2.4840   0.5171   2.6814   0.5626   1.4117   1.3115  321.923   33.994  242.091   85.053 79.83240 91.59536 
1 1 1   20   21   19 o  643.221   41.626   10.520   1.1896   10.189   1.3637   11.574   2.4332  626.044   42.369  660.398   71.665 -34.35480 83.25262 
1 1 1   20   21   21 o  476.920   37.243   4.9293   0.7094   4.4151   0.7711   7.7603   1.8093  412.492   36.360  541.348   65.008 -128.8560 74.48526 
1 1 1   20   21   23 o  407.277   49.664   4.9820   0.7054   5.1975   0.7692   3.8414   1.7698  447.629   33.422  366.926   93.536 80.70297 99.32796 
1 1 1   20   21   25 o  148.700   37.704   0.5090   0.3456   0.5677   0.4043   0.3500   0.6656  148.264   47.151  149.136   58.848 -0.8719330 75.40771 
1 1 1   20   21   27 o  1458.38   40.695   56.752   2.6842   56.927   3.1344   56.271   5.1980  1474.69   41.341  1442.07   70.110 32.61707 81.39073 
1 1 1   20   21   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   31 o  159.969   35.661   0.7069   0.3021   0.7925   0.3361   0.3466   0.6893  170.458   39.171  149.481   59.603 20.97659 71.32240 
1 1 1   20   21   33 o  856.462   41.118   21.212   1.4188   22.224   1.6027   17.547   3.0501  921.436   33.832  791.488   74.955 129.9476 82.23676 
1 1 1   20   21   35 o  227.557   38.830   0.8702   0.3859   0.4891   0.4226   2.7873   0.9477  140.442   48.338  314.672   60.781 -174.2305 77.65947 
1 1 1   20   21   37 o  279.964   46.332   2.5259   0.6273   2.9164   0.7294   1.4164   1.2295  330.941   42.868  228.988   82.151 101.9533 92.66334 
1 1 1   20   21   39 o  594.078   41.379   9.6054   1.1446   9.4001   1.3551   10.117   2.1383  591.933   44.529  596.223   69.757 -4.289856 82.75794 
1 1 1   20   21   41 o  299.786   44.500   2.8935   0.6233   3.3604   0.7467   1.8202   1.1321  354.072   41.018  245.500   78.985 108.5720 89.00034 
1 1 1   20   21   43 o  323.553   35.653   2.2546   0.4999   1.7123   0.5576   4.4737   1.1279  247.352   45.526  399.754   54.882 -152.4017 71.30659 
1 1 1   20   21   45 o  339.753   43.531   3.1658   0.5978   3.0075   0.6664   3.8183   1.3527  333.427   38.873  346.078   77.902 -12.65054 87.06251 
1 1 1   20   21   47 o  174.602   39.929   0.9345   0.3842   1.0470   0.4221   0.3913   0.9278  191.010   43.902  158.195   66.707 32.81516 79.85712 
1 1 1   20   22    0 o  634.657   47.483   10.381   1.4567   9.3646   1.8056   12.276   2.4654  592.671   60.717  676.642   73.021 -0.000000 0.000000 
1 1 1   20   22    2 o  324.084   32.159   2.7197   0.5342   2.4466   0.7469   3.0057   0.7643  307.332   47.268  340.835   43.618 -33.50336 64.31850 
1 1 1   20   22    4 o  1801.90   28.702   83.455   2.6187   81.205   3.3986   86.742   4.1085  1773.00   37.284  1830.80   43.649 -57.79297 57.40499 
1 1 1   20   22    6 o  230.033   39.150   1.4229   0.4413   1.4209   0.5448   1.4268   0.7522  229.962   47.649  230.104   62.132 -0.1416321 78.29945 
1 1 1   20   22    8 o  521.329   41.136   6.8917   1.0197   7.5773   1.8701   6.6016   1.2165  538.082   67.600  504.575   46.893 33.50720 82.27203 
1 1 1   20   22   10 o  1158.60   37.131   35.167   2.1390   33.881   3.4653   35.958   2.7187  1139.55   59.147  1177.65   44.904 -38.09277 74.26119 
1 1 1   20   22   12 o  519.058   58.367   7.0367   1.5576   7.0367   1.5576   0.0000   0.0000  519.058   58.367  ?   ?       ?      ? 
1 1 1   20   22   14 o  150.142   50.609   0.5491   0.4629   0.5491   0.4629   0.0000   0.0000  150.142   50.609  ?   ?       ?      ? 
1 1 1   20   22   16 o  968.370   41.815   24.350   2.0818   24.350   2.0818   0.0000   0.0000  968.370   41.815  ?   ?       ?      ? 
1 1 1   20   22   18 o  1086.79   60.647   31.081   3.3886   31.081   3.3886   0.0000   0.0000  1086.79   60.647  ?   ?       ?      ? 
1 1 1   20   22   20 o  232.315   43.340   1.6787   0.5346   2.0380   0.6032   0.3631   1.1542  279.796   41.930  184.835   75.863 94.96124 86.67944 
1 1 1   20   22   22 o  388.931   41.572   3.4830   0.7075   3.0791   0.7935   5.0494   1.5626  343.267   44.965  434.595   69.937 -91.32797 83.14451 
1 1 1   20   22   24 o  174.141   40.840   0.7990   0.4128   0.9398   0.4746   0.3618   0.8367  185.803   48.989  162.478   65.357 23.32475 81.67908 
1 1 1   20   22   26 o  567.368   48.469   8.7565   1.3791   9.0338   1.7857   8.3467   2.1711  581.857   59.693  552.879   76.379 28.97760 96.93828 
1 1 1   20   22   28 o  388.196   42.976   3.9612   0.8577   3.9612   0.8577   0.0000   0.0000  388.196   42.976  ?   ?       ?      ? 
1 1 1   20   22   30 o  388.776   47.579   4.5859   0.6852   4.8132   0.7590   3.5842   1.5934  429.184   34.397  348.367   88.724 80.81723 95.15862 
1 1 1   20   22   32 o  473.102   38.483   5.7638   0.7567   5.5871   0.8450   6.4792   1.7000  461.614   35.606  484.591   68.234 -22.97711 76.96547 
1 1 1   20   22   34 o  181.178   38.224   0.9775   0.3617   1.1164   0.4002   0.3575   0.8452  202.312   39.890  160.043   65.215 42.26936 76.44735 
1 1 1   20   22   36 o  229.671   44.268   1.4034   0.5007   1.2367   0.5945   1.8101   0.9286  209.565   54.624  249.776   69.678 -40.21127 88.53674 
1 1 1   20   22   38 o  353.043   37.777   2.8874   0.5672   2.5377   0.6289   4.4139   1.3138  309.030   39.581  397.057   64.357 -88.02740 75.55465 
1 1 1   20   22   40 o  199.013   39.918   1.2672   0.4853   1.7140   0.5645   0.0000   0.9506  248.442   45.882  149.585   65.336 98.85764 79.83655 
1 1 1   20   22   42 o  353.178   36.371   3.3280   0.6604   3.3280   0.6604   0.0000   0.0000  353.178   36.371  ?   ?       ?      ? 
1 1 1   20   22   44 o  287.506   48.461   2.7027   0.6877   3.0140   0.8152   1.9344   1.2807  329.907   48.062  245.106   84.165 84.80095 96.92126 
1 1 1   20   22   46 o  373.379   54.878   4.8081   1.0457   6.4379   1.4034   2.7741   1.5678  470.113   58.064  276.644   93.139 193.4688 109.7561 
1 1 1   20   23    1 o  783.568   31.439   15.901   1.2660   15.288   1.7780   16.531   1.8032  768.178   45.018  798.958   43.898 -30.77954 62.87853 
1 1 1   20   23    3 o  1302.14   29.093   43.867   1.9157   43.822   2.4935   43.932   2.9926  1302.09   37.248  1302.18   44.701 -0.8007813E-01 58.18574 
1 1 1   20   23    5 o  1185.68   40.049   35.001   1.9943   33.878   2.2309   39.469   4.4501  1144.64   37.908  1226.71   70.560 -82.06189 80.09872 
1 1 1   20   23    7 o  1171.99   33.210   35.717   1.9940   34.650   2.9197   36.650   2.7297  1155.03   49.167  1188.95   44.655 -33.92761 66.41909 
1 1 1   20   23    9 o  898.133   30.020   20.880   1.3692   20.731   1.7985   21.085   2.1118  894.897   39.090  901.368   45.570 -6.471375 60.03907 
1 1 1   20   23   11 o  682.198   39.970   12.839   1.3125   9.7590   2.1065   14.793   1.6781  609.313   67.245  755.083   43.226 -145.7700 79.93938 
1 1 1   20   23   13 o  617.870   36.855   9.9289   1.1429   10.099   1.8323   9.8209   1.4622  621.224   57.368  614.517   46.280 6.707275 73.70903 
1 1 1   20   23   15 o  1276.57   47.738   43.093   3.0088   43.252   3.7715   42.815   4.9902  1284.63   57.104  1268.50   76.517 16.13074 95.47636 
1 1 1   20   23   17 o  498.837   59.089   6.5446   1.5154   6.5446   1.5154   0.0000   0.0000  498.837   59.089  ?   ?       ?      ? 
1 1 1   20   23   19 o  269.415   68.103   2.0024   0.9438   2.0024   0.9438   0.0000   0.0000  269.415   68.103  ?   ?       ?      ? 
1 1 1   20   23   21 o  754.898   41.856   14.862   1.6245   14.862   1.6245   0.0000   0.0000  754.898   41.856  ?   ?       ?      ? 
1 1 1   20   23   23 o  114.122   43.351   0.2434   0.3510   0.2434   0.3510   0.0000   0.0000  114.122   43.351  ?   ?       ?      ? 
1 1 1   20   23   25 o  545.165   48.300   7.7999   1.3180   7.1094   1.6557   8.9946   2.1777  515.246   62.501  575.084   73.656 -59.83789 96.59991 
1 1 1   20   23   27 o  1351.37   33.800   47.598   2.3483   47.598   2.3483   0.0000   0.0000  1351.37   33.800  ?   ?       ?      ? 
1 1 1   20   23   29 o  167.518   39.332   0.7695   0.3958   0.9664   0.4436   0.0000   0.8769  187.511   46.292  147.525   63.600 39.98618 78.66325 
1 1 1   20   23   31 o  884.368   39.605   20.785   1.4191   20.596   1.5797   21.576   3.2296  886.826   34.648  881.909   71.230 4.917053 79.20943 
1 1 1   20   23   33 o  264.939   45.397   2.1519   0.5205   2.2937   0.5740   1.4953   1.2351  295.077   37.833  234.801   82.536 60.27504 90.79382 
1 1 1   20   23   35 o  320.501   36.421   2.0756   0.4962   1.5435   0.5489   4.4559   1.1609  236.444   46.807  404.558   55.813 -168.1140 72.84231 
1 1 1   20   23   37 o  611.016   34.798   8.4174   0.9209   7.1910   1.0252   13.539   2.0951  520.898   38.283  701.134   58.120 -180.2363 69.59591 
1 1 1   20   23   39 o  508.215   49.268   7.4858   1.2647   7.9572   1.6845   6.8769   1.9147  532.604   61.519  483.827   76.974 48.77734 98.53692 
1 1 1   20   23   41 o  301.218   39.253   2.4326   0.6079   2.4326   0.6079   0.0000   0.0000  301.218   39.253  ?   ?       ?      ? 
1 1 1   20   23   43 o  227.441   43.241   1.4842   0.4395   1.4651   0.4873   1.5677   1.0180  228.820   42.997  226.061   75.036 2.758698 86.48229 
1 1 1   20   23   45 o  339.295   45.453   3.1510   0.6001   2.9719   0.6594   4.0139   1.4473  330.670   38.789  347.920   82.216 -17.24997 90.90674 
1 1 1   20   23   47 o  199.273   39.533   1.2902   0.3968   1.4097   0.4446   0.8223   0.8800  223.391   40.190  175.156   68.090 48.23430 79.06650 
1 1 1   20   24    0 o  791.695   46.119   15.979   1.7882   14.371   2.2198   18.951   3.0183  737.893   59.397  845.496   70.567 -0.000000 0.000000 
1 1 1   20   24    2 o  1258.06   31.173   41.019   2.0158   39.861   2.8239   42.222   2.8785  1239.91   44.298  1276.21   43.870 -36.29932 62.34533 
1 1 1   20   24    4 o  1623.44   28.983   67.635   2.3878   64.574   3.1062   72.058   3.7334  1579.73   38.245  1667.15   43.558 -87.41833 57.96513 
1 1 1   20   24    6 o  846.904   31.095   18.944   1.3162   16.972   2.0578   20.310   1.7122  807.889   49.542  885.919   37.592 -78.03040 62.18992 
1 1 1   20   24    8 o  462.578   30.756   5.5009   0.7258   5.1648   0.9578   5.9542   1.1123  446.306   41.742  478.851   45.181 -32.54495 61.51207 
1 1 1   20   24   10 o  623.449   30.094   9.9857   0.9556   9.3886   1.2539   10.813   1.4759  601.719   40.533  645.179   44.495 -43.45935 60.18880 
1 1 1   20   24   12 o  459.892   33.186   5.5083   0.7738   4.3674   1.0672   6.7728   1.1235  409.170   50.730  510.613   42.798 -101.4438 66.37177 
1 1 1   20   24   14 f  1144.56   31.302   34.041   1.8379   33.433   2.5072   34.748   2.7019  1133.91   43.008  1155.20   45.492 -21.30029 62.60396 
1 1 1   20   24   16 o  601.978   39.502   9.9787   1.1538   7.7566   1.8343   11.433   1.4841  541.328   65.907  662.628   43.564 -121.2995 79.00366 
1 1 1   20   24   18 o  472.124   47.600   5.8283   1.1554   0.0000   0.0000   5.8283   1.1554  ?   ?   472.124   47.600      ?      ? 
1 1 1   20   24   20 o  481.023   50.691   6.1068   1.2061   5.8499   1.5001   6.5767   2.0285  469.429   62.155  492.616   80.093 -23.18661 101.3812 
1 1 1   20   24   22 o  954.349   58.332   24.172   2.8621   24.172   2.8621   0.0000   0.0000  954.349   58.332  ?   ?       ?      ? 
1 1 1   20   24   24 f  629.901   59.626   10.590   1.9310   10.590   1.9310   0.0000   0.0000  629.901   59.626  ?   ?       ?      ? 
1 1 1   20   24   26 o  337.254   43.995   2.9929   0.7628   2.9929   0.7628   0.0000   0.0000  337.254   43.995  ?   ?       ?      ? 
1 1 1   20   24   28 o  175.579   43.830   0.7556   0.5195   1.0772   0.6202   0.0000   0.9508  197.902   57.523  153.258   66.148 44.64384 87.66087 
1 1 1   20   24   30 o  351.358   48.906   4.1842   0.6725   4.6433   0.7504   2.3112   1.5156  421.098   34.661  281.617   91.466 139.4813 97.81293 
1 1 1   20   24   32 o  395.862   50.672   5.0903   0.7291   5.4423   0.8047   3.4747   1.7239  455.521   34.359  336.203   95.342 119.3176 101.3438 
1 1 1   20   24   34 o  396.593   43.960   4.2232   0.6628   4.1307   0.7299   4.6580   1.5826  396.109   35.840  397.076   80.283 -0.9671936 87.91945 
1 1 1   20   24   36 o  279.931   46.190   2.4731   0.6339   2.8495   0.7512   1.5426   1.1811  326.190   44.794  233.672   80.792 92.51791 92.37910 
1 1 1   20   24   38 o  206.634   44.070   1.1916   0.4542   1.1971   0.5139   1.1719   0.9710  206.132   49.175  207.137   73.146 -1.004364 88.13934 
1 1 1   20   24   40 o  352.057   36.776   3.3035   0.6657   3.3035   0.6657   0.0000   0.0000  352.057   36.776  ?   ?       ?      ? 
1 1 1   20   24   42 o  429.085   40.897   4.7877   0.7328   4.4814   0.8161   6.0633   1.6655  407.896   38.915  450.273   71.944 -42.37711 81.79408 
1 1 1   20   24   44 o  297.654   44.019   2.3142   0.5488   2.0761   0.6113   3.3040   1.2464  274.856   43.259  320.452   76.676 -45.59634 88.03741 
1 1 1   20   24   46 o  320.383   46.194   3.1053   0.6793   3.0164   0.8024   3.3302   1.2762  326.609   47.782  314.156   79.072 12.45340 92.38778 
1 1 1   20   25    1 o  1095.28   31.318   31.133   1.7633   30.452   2.4820   31.827   2.5056  1083.13   44.571  1107.44   44.007 -24.30652 62.63538 
1 1 1   20   25    3 f  581.916   41.594   8.4237   1.0047   8.1390   1.1191   9.6075   2.2818  560.581   38.828  603.250   73.571 -42.66913 83.18855 
1 1 1   20   25    5 f  1305.50   32.012   44.289   2.1478   43.362   3.0561   45.195   3.0193  1291.76   46.016  1319.24   44.515 -27.48010 64.02407 
1 1 1   20   25    7 o  703.498   28.474   12.888   1.0250   11.658   1.4662   14.063   1.4336  670.191   42.553  736.806   37.845 -66.61493 56.94724 
1 1 1   20   25    9 o  1067.56   33.169   29.778   1.8133   27.641   2.6153   31.756   2.5162  1029.82   49.397  1105.30   44.279 -75.48389 66.33749 
1 1 1   20   25   11 o  368.553   34.245   3.5533   0.6455   3.9623   0.9125   3.1435   0.9133  390.160   45.489  346.945   51.202 43.21576 68.49001 
1 1 1   20   25   13 o  726.937   32.037   13.755   1.1966   13.459   1.6569   14.077   1.7299  718.879   44.830  734.995   45.779 -16.11652 64.07376 
1 1 1   20   25   15 o  687.843   31.599   12.290   1.1154   11.453   1.5256   13.250   1.6348  662.765   44.772  712.921   44.603 -50.15558 63.19814 
1 1 1   20   25   17 f  1055.82   51.491   30.556   2.7012   33.442   3.5176   26.409   4.2170  1124.39   60.849  987.252   83.082 137.1399 102.9815 
1 1 1   20   25   19 o  213.453   35.775   1.2520   0.4131   1.7759   0.5679   0.6630   0.6021  260.815   42.348  166.091   57.672 94.72372 71.55035 
1 1 1   20   25   21 o  532.984   40.506   7.8976   1.0446   6.1960   1.6732   8.9847   1.3373  480.356   67.751  585.612   44.417 -105.2558 81.01281 
1 1 1   20   25   23 o  463.474   61.958   5.7532   1.4764   5.7532   1.4764   0.0000   0.0000  463.474   61.958  ?   ?       ?      ? 
1 1 1   20   25   25 o  514.363   60.205   7.1042   1.5921   7.1042   1.5921   0.0000   0.0000  514.363   60.205  ?   ?       ?      ? 
1 1 1   20   25   27 o  759.739   42.555   15.210   1.6622   15.210   1.6622   0.0000   0.0000  759.739   42.555  ?   ?       ?      ? 
1 1 1   20   25   29 o  606.502   61.802   10.016   1.9271   10.016   1.9271   0.0000   0.0000  606.502   61.802  ?   ?       ?      ? 
1 1 1   20   25   31 o  566.082   43.653   8.5063   1.2705   8.5063   1.2705   0.0000   0.0000  566.082   43.653  ?   ?       ?      ? 
1 1 1   20   25   33 o  477.049   37.372   5.3709   0.7423   4.8780   0.8199   7.6125   1.7483  430.129   37.075  523.969   64.901 -93.84052 74.74377 
1 1 1   20   25   35 o  415.766   45.448   4.6455   0.7090   4.5246   0.7778   5.2394   1.7242  413.879   36.555  417.652   83.222 -3.772766 90.89640 
1 1 1   20   25   37 f  179.814   40.374   0.9421   0.4103   1.0979   0.4656   0.4005   0.8681  198.022   46.523  161.605   65.998 36.41736 80.74738 
1 1 1   20   25   39 o  357.127   45.447   3.4593   0.8344   3.4593   0.8344   0.0000   0.0000  357.127   45.447  ?   ?       ?      ? 
1 1 1   20   25   41 o  203.020   41.019   1.3138   0.4241   1.4711   0.4596   0.4120   1.1005  234.016   38.200  172.025   72.602 61.99072 82.03769 
1 1 1   20   25   43 o  264.208   42.000   1.8713   0.4789   1.6960   0.5399   2.5174   1.0368  245.242   44.460  283.175   71.268 -37.93279 83.99904 
1 1 1   20   25   45 o  399.310   49.151   5.0686   0.7619   5.1597   0.8539   4.7124   1.6877  434.768   38.202  363.851   90.576 70.91727 98.30273 
1 1 1   20   26    0 o  943.233   47.377   23.314   2.1679   22.902   2.6860   24.083   3.6718  934.845   56.355  951.620   76.173 -0.000000 0.000000 
1 1 1   20   26    2 o  186.570   41.362   0.9883   0.4348   1.2086   0.4808   0.0000   1.0186  211.652   45.539  161.488   69.061 50.16347 82.72386 
1 1 1   20   26    4 o  771.094   41.228   14.822   1.4846   17.413   2.8480   13.856   1.7397  812.435   68.184  729.752   46.370 82.68237 82.45692 
1 1 1   20   26    6 o  466.832   50.199   6.2089   1.0009   5.1237   1.9137   6.6175   1.1744  429.299   89.602  504.365   45.289 -75.06647 100.3976 
1 1 1   20   26    8 f  976.829   33.732   24.867   1.6887   24.900   2.4891   24.839   2.2987  976.897   49.559  976.761   45.775 0.1362305 67.46406 
1 1 1   20   26   10 o  1055.47   37.217   28.965   1.9912   28.089   2.5903   30.230   3.1133  1037.47   48.563  1073.47   56.411 -35.99878 74.43478 
1 1 1   20   26   12 o  946.809   32.634   23.375   1.5879   22.498   2.2257   24.284   2.2662  928.593   46.620  965.024   45.676 -36.43103 65.26711 
1 1 1   20   26   14 o  251.021   36.896   1.7058   0.4607   1.4746   0.6361   1.9609   0.6682  232.458   54.219  269.584   50.056 -37.12599 73.79226 
1 1 1   20   26   16 o  653.331   44.437   11.208   1.2750   11.100   1.4620   11.551   2.6061  652.101   43.607  654.562   77.441 -2.460388 88.87405 
1 1 1   20   26   18 o  215.988   37.224   1.2775   0.4092   1.2978   0.5634   1.2548   0.5954  217.911   51.161  214.064   54.083 3.847504 74.44730 
1 1 1   20   26   20 o  416.784   38.299   4.5502   0.7993   4.7974   1.2991   4.3995   1.0140  424.580   59.511  408.989   48.224 15.59012 76.59711 
1 1 1   20   26   22 o  465.847   44.105   5.8608   1.0474   5.1430   1.5058   6.5335   1.4577  436.497   67.101  495.196   57.258 -58.69968 88.20953 
1 1 1   20   26   24 o  313.716   43.012   2.0674   0.7524   0.1897   0.9208   5.8388   1.3050  159.334   66.782  468.097   54.226 -308.7629 86.02495 
1 1 1   20   26   26 o  577.988   50.345   9.2986   1.4482   9.6846   1.8601   8.7045   2.3074  598.734   60.429  557.243   80.540 41.49066 100.6894 
1 1 1   20   26   28 o  476.725   87.023   6.6636   2.0543   0.0000   0.0000   6.6636   2.0543  ?   ?   476.725   87.023      ?      ? 
1 1 1   20   26   30 o  164.088   56.585   0.6796   0.5792   0.6796   0.5792   0.0000   0.0000  164.088   56.585  ?   ?       ?      ? 
1 1 1   20   26   32 o  591.247   43.598   9.3040   1.3253   9.3040   1.3253   0.0000   0.0000  591.247   43.598  ?   ?       ?      ? 
1 1 1   20   26   34 o  666.477   44.129   11.873   1.5121   11.873   1.5121   0.0000   0.0000  666.477   44.129  ?   ?       ?      ? 
1 1 1   20   26   36 o  347.134   53.863   3.5875   0.9258   3.4583   1.2153   3.7660   1.4290  342.472   71.337  351.797   80.721 -9.324890 107.7258 
1 1 1   20   26   38 o  564.632   44.171   8.6156   1.2822   8.6156   1.2822   0.0000   0.0000  564.632   44.171  ?   ?       ?      ? 
1 1 1   20   26   40 o  202.397   43.823   1.1110   0.4148   1.0801   0.4548   1.2640   1.0108  195.204   46.064  209.590   74.564 -14.38589 87.64555 
1 1 1   20   26   42 o  405.304   50.124   5.1495   0.7640   5.2517   0.8475   4.7061   1.7654  441.319   37.353  369.288   93.030 72.03131 100.2483 
1 1 1   20   26   44 o  599.125   53.363   12.119   1.1423   12.757   1.2778   9.5802   2.5486  686.161   36.222  512.090  100.390 174.0715 106.7253 
1 1 1   20   27    1 o  669.472   56.337   12.079   1.8901   8.9593   2.6373   15.373   2.7102  576.633   88.959  762.310   69.151 -185.6763 112.6745 
1 1 1   20   27    3 o  743.426   53.773   14.720   2.0540   14.961   2.8703   14.467   2.9404  750.214   74.418  736.639   77.640 13.57495 107.5451 
1 1 1   20   27    5 o  581.621   40.373   7.8377   1.1084   11.696   2.1563   6.4521   1.2922  666.247   62.950  496.995   50.570 169.2523 80.74696 
1 1 1   20   27    7 f  1252.75   32.238   41.798   1.9925   37.359   3.2138   44.569   2.5394  1194.85   52.316  1310.64   37.686 -115.7871 64.47621 
1 1 1   20   27    9 o  612.792   48.372   11.027   1.3021   7.6886   2.3652   12.479   1.5598  533.414   86.244  692.170   43.832 -158.7553 96.74340 
1 1 1   20   27   11 o  281.105   39.957   2.1725   0.5615   1.6810   0.8295   2.5881   0.7628  247.451   64.532  314.759   47.137 -67.30826 79.91467 
1 1 1   20   27   13 o  1321.47   40.930   46.473   2.5992   44.882   4.5219   47.258   3.1764  1298.16   67.753  1344.78   45.943 -46.61877 81.86079 
1 1 1   20   27   15 o  372.127   56.931   3.9445   1.0730   4.6923   1.4344   2.9942   1.6169  419.419   66.521  324.835   92.411 94.58447 113.8628 
1 1 1   20   27   17 o  331.273   45.625   3.5296   0.7227   1.4343   1.1951   4.7375   0.9074  236.645   81.300  425.901   41.438 -189.2567 91.25098 
1 1 1   20   27   19 o  629.468   38.273   10.473   1.2025   10.572   1.9508   10.412   1.5272  629.668   60.259  629.268   47.204 0.3998413 76.54628 
1 1 1   20   27   21 o  685.190   35.286   11.879   1.1974   10.567   1.4751   14.413   2.0502  633.798   45.270  736.581   54.139 -102.7836 70.57181 
1 1 1   20   27   23 o  228.764   36.878   1.4433   0.4239   1.4333   0.5894   1.4540   0.6101  228.058   51.489  229.469   52.810 -1.411026 73.75631 
1 1 1   20   27   25 o  832.870   31.851   18.370   1.3564   18.628   1.8339   18.057   2.0155  840.656   42.431  825.083   47.514 15.57330 63.70197 
1 1 1   20   27   27 o  388.980   51.762   3.6987   0.9950   1.6888   1.2183   7.7236   1.7241  246.097   82.108  531.864   63.050 -285.7664 103.5231 
1 1 1   20   27   29 o  172.125   46.250   0.6445   0.5667   0.8963   0.6684   0.0000   1.0692  183.702   60.791  160.549   69.719 23.15269 92.50049 
1 1 1   20   27   31 o  305.448   55.216   2.8567   0.8789   3.3106   1.1333   2.1719   1.3921  340.110   67.196  270.787   87.634 69.32327 110.4311 
1 1 1   20   27   33 o  321.313   67.804   2.9883   1.0849   2.9883   1.0849   0.0000   0.0000  321.313   67.804  ?   ?       ?      ? 
1 1 1   20   27   35 o  194.465   63.670   1.0496   0.7339   1.0496   0.7339   0.0000   0.0000  194.465   63.670  ?   ?       ?      ? 
1 1 1   20   27   37 o  411.606   46.166   4.5962   0.9769   4.5962   0.9769   0.0000   0.0000  411.606   46.166  ?   ?       ?      ? 
1 1 1   20   27   39 o  283.915   46.743   2.8861   0.5939   3.2265   0.6552   1.3165   1.4070  347.383   36.685  220.448   85.987 126.9349 93.48582 
1 1 1   20   27   41 o  186.138   41.867   0.9792   0.3849   0.9998   0.4211   0.8750   0.9488  187.508   44.372  184.768   71.011 2.739716 83.73469 
1 1 1   20   27   43 o  489.879   53.660   8.0363   0.9357   8.3494   1.0369   6.6630   2.1716  555.365   36.314  424.393  100.991 130.9727 107.3209 
1 1 1   20   28    0 o  912.025   77.626   22.262   3.5792   22.262   3.5792   0.0000   0.0000  912.025   77.626  912.025   77.626 0.000000 0.000000 
1 1 1   20   28    2 o  1243.50   53.638   41.344   3.4244   42.781   4.7800   39.829   4.9080  1267.23   73.368  1219.77   78.264 47.45728 107.2754 
1 1 1   20   28    4 o  221.056   50.444   1.1432   0.5839   0.9897   0.6725   1.6130   1.1767  194.241   60.681  247.872   80.599 -53.63060 100.8873 
1 1 1   20   28    6 o  436.100   50.980   5.2617   1.0226   5.4651   1.2415   4.8326   1.8032  456.581   52.889  415.620   87.170 40.96091 101.9604 
1 1 1   20   28    8 o  309.983   44.395   2.5933   0.6811   2.2151   0.9122   3.0698   1.0238  283.934   64.015  336.033   61.527 -52.09900 88.78912 
1 1 1   20   28   10 o  353.746   51.370   3.6391   0.7501   3.8125   0.8432   2.9812   1.6426  382.376   42.892  325.116   93.358 57.26035 102.7397 
1 1 1   20   28   12 o  146.623   41.148   0.3102   0.3690   0.2842   0.4053   0.4360   0.8915  122.856   46.603  170.390   67.830 -47.53433 82.29686 
1 1 1   20   28   14 f  202.204   42.158   1.1620   0.4744   0.6214   0.8589   1.3992   0.5690  177.903   67.755  226.504   50.183 -48.60175 84.31509 
1 1 1   20   28   16 o  757.239   47.204   15.060   1.8377   0.0000   0.0000   15.060   1.8377  ?   ?   757.239   47.204      ?      ? 
1 1 1   20   28   18 o  889.819   58.714   21.101   2.6860   0.0000   0.0000   21.101   2.6860  ?   ?   889.819   58.714      ?      ? 
1 1 1   20   28   20 o  904.513   43.304   21.871   2.0094   23.909   2.9403   20.085   2.7524  944.315   60.563  864.711   61.911 79.60382 86.60735 
1 1 1   20   28   22 o  1215.85   38.747   39.633   2.3299   38.873   3.8321   40.079   2.9345  1200.08   62.109  1231.62   46.344 -31.54102 77.49380 
1 1 1   20   28   24 o  386.413   40.835   3.8574   0.7726   5.3277   1.2605   2.9725   0.9779  445.681   55.010  327.145   60.365 118.5359 81.67009 
1 1 1   20   28   26 o  202.333   48.198   1.1142   0.6111   1.4165   0.7367   0.4469   1.0945  224.360   61.865  180.306   73.925 44.05400 96.39580 
1 1 1   20   28   28 o  280.357   41.551   2.1461   0.5719   2.6100   0.9090   1.8421   0.7359  304.752   60.150  255.962   57.341 48.78984 83.10265 
1 1 1   20   28   30 o  260.788   56.354   1.9420   0.8020   1.7764   1.0038   2.2342   1.3335  247.539   73.524  274.036   85.425 -26.49767 112.7082 
1 1 1   20   28   32 o  346.397   55.385   3.8018   0.9969   4.8485   1.2901   2.2510   1.5704  419.269   59.851  273.526   93.209 145.7437 110.7706 
1 1 1   20   28   34 o  162.497   65.523   0.4456   0.8431   0.0000   0.0000   0.4456   0.8431  ?   ?   162.497   65.523      ?      ? 
1 1 1   20   28   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28   40 o  357.733   46.705   3.5330   0.8590   3.5330   0.8590   0.0000   0.0000  357.733   46.705  ?   ?       ?      ? 
1 1 1   20   28   42 o  465.674   47.525   6.0713   1.1378   6.0713   1.1378   0.0000   0.0000  465.674   47.525  ?   ?       ?      ? 
1 1 1   20   29    1 o  989.841   31.734   25.563   1.6148   25.047   2.2766   26.085   2.2907  979.695   45.198  999.987   44.556 -20.29205 63.46736 
1 1 1   20   29    3 o  271.758   36.396   1.9986   0.4896   1.9217   0.6992   2.0726   0.6859  266.174   52.956  277.343   49.943 -11.16919 72.79148 
1 1 1   20   29    5 o  543.821   30.826   7.6609   0.8579   7.1938   1.1478   8.2521   1.2913  525.364   42.494  562.278   44.669 -36.91400 61.65209 
1 1 1   20   29    7 o  234.022   34.969   1.4899   0.4076   1.3836   0.5811   1.5928   0.5718  225.312   51.314  242.733   47.520 -17.42131 69.93797 
1 1 1   20   29    9 o  185.252   38.089   0.9881   0.4135   1.3160   0.4963   0.2445   0.7474  220.497   45.297  150.008   61.248 70.48833 76.17835 
1 1 1   20   29   11 f  671.943   45.762   12.085   1.2870   12.125   1.4521   11.938   2.7785  681.633   41.436  662.253   81.606 19.38068 91.52354 
1 1 1   20   29   13 o  194.827   46.587   0.9735   0.5695   1.2515   0.7047   0.4501   0.9670  214.071   61.046  175.582   70.391 38.48816 93.17489 
1 1 1   20   29   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   29   17 o  441.735   45.749   5.1325   1.0390   5.1325   1.0390   0.0000   0.0000  441.735   45.749  ?   ?       ?      ? 
1 1 1   20   29   19 o  590.948   54.882   10.550   1.2948   11.326   1.4898   8.1552   2.6175  656.063   44.168  525.832  100.486 130.2307 109.7644 
1 1 1   20   29   21 o  543.822   51.088   8.4343   1.1343   8.6428   1.2947   7.7459   2.3528  572.513   43.985  515.130   92.224 57.38354 102.1759 
1 1 1   20   29   23 o  176.965   41.186   0.8758   0.4363   1.0963   0.4881   0.0000   0.9727  199.317   48.171  154.614   66.819 44.70288 82.37282 
1 1 1   20   29   25 o  583.586   45.563   8.9693   1.1705   8.6308   1.3371   10.080   2.4218  570.014   45.626  597.159   78.882 -27.14478 91.12682 
1 1 1   20   29   27 o  517.060   49.652   6.9813   1.2758   5.2552   1.5952   10.044   2.1251  433.247   71.618  600.873   68.790 -167.6257 99.30353 
1 1 1   20   29   29 o  345.966   49.066   3.4939   0.7396   3.5845   0.8528   3.2190   1.4855  366.454   45.266  325.479   87.069 40.97549 98.13262 
1 1 1   20   29   31 o  384.228   46.535   3.9629   0.9193   3.9629   0.9193   0.0000   0.0000  384.228   46.535  ?   ?       ?      ? 
1 1 1   20   29   33 o  395.100   57.329   4.8842   1.1163   5.6661   1.4465   3.7328   1.7553  449.941   62.530  340.259   96.106 109.6828 114.6573 
1 1 1   20   29   35 o  164.201   51.780   0.7415   0.4884   0.7415   0.4884   0.0000   0.0000  164.201   51.780  ?   ?       ?      ? 
1 1 1   20   29   37 o  157.319   63.028   0.4654   0.7747   0.0000   0.0000   0.4654   0.7747  ?   ?   157.319   63.028      ?      ? 
1 1 1   20   29   39 o  339.596   56.824   4.0192   1.0323   5.0202   1.3043   2.3412   1.6887  416.790   60.870  262.402   95.973 154.3887 113.6482 
1 1 1   20   29   41 o  341.404   73.168   3.6982   1.2457   3.6982   1.2457   0.0000   0.0000  341.404   73.168  ?   ?       ?      ? 
1 1 1   20   29   43 o  147.939   44.361   0.6262   0.3642   0.6262   0.3642   0.0000   0.0000  147.939   44.361  ?   ?       ?      ? 
1 1 1   20   30    0 o  151.432   56.485   0.7276   0.4922   0.6001   0.5519   1.2235   1.0883  125.524   65.459  177.339   92.074 -0.000000 0.000000 
1 1 1   20   30    2 o  439.552   33.346   5.0685   0.7518   4.7311   1.0721   5.3949   1.0544  424.800   49.091  454.305   45.143 -29.50458 66.69151 
1 1 1   20   30    4 o  190.751   35.422   0.9930   0.3501   1.0310   0.4631   0.9423   0.5349  194.671   46.835  186.831   53.153 7.839630 70.84383 
1 1 1   20   30    6 o  572.281   35.883   8.6472   1.0423   8.3272   1.5890   8.8888   1.3808  561.855   55.009  582.708   46.089 -20.85309 71.76515 
1 1 1   20   30    8 o  508.181   38.136   7.1033   0.9512   5.1352   1.4197   8.7067   1.2814  439.207   62.871  577.156   43.183 -137.9489 76.27271 
1 1 1   20   30   10 o  467.789   36.328   5.7697   0.8662   5.7337   1.3106   5.7976   1.1542  465.723   54.736  469.855   47.780 -4.132355 72.65651 
1 1 1   20   30   12 f  789.632   39.240   16.514   1.5837   16.430   2.1268   16.618   2.3729  788.647   52.453  790.616   58.377 -1.969360 78.48023 
1 1 1   20   30   14 o  515.295   71.928   7.2056   1.9056   7.2056   1.9056   0.0000   0.0000  515.295   71.928  ?   ?       ?      ? 
1 1 1   20   30   16 o  303.325   38.194   2.5832   0.5622   3.5750   0.7908   1.5697   0.7994  369.223   41.661  237.427   64.026 131.7957 76.38724 
1 1 1   20   30   18 o  511.202   33.986   6.9246   0.8916   7.2931   1.2498   6.5428   1.2723  525.609   46.251  496.795   49.811 28.81390 67.97275 
1 1 1   20   30   20 o  279.528   36.657   2.1267   0.5131   2.4161   0.7242   1.8349   0.7272  302.099   46.630  256.956   56.574 45.14340 73.31429 
1 1 1   20   30   22 o  307.165   42.689   2.0107   0.5992   1.3456   0.6828   4.2389   1.2497  219.311   59.184  395.020   61.536 -175.7086 85.37832 
1 1 1   20   30   24 o  344.105   53.115   3.8912   0.8009   4.3346   0.9088   2.3497   1.6944  404.391   43.712  283.819   96.819 120.5724 106.2297 
1 1 1   20   30   26 o  516.107   59.203   8.1534   1.4289   9.4601   1.8388   6.1617   2.2702  587.816   60.846  444.397  101.577 143.4189 118.4065 
1 1 1   20   30   28 o  545.600   43.203   7.4180   1.0630   6.6573   1.2138   9.9223   2.2023  498.451   47.365  592.749   72.266 -94.29810 86.40513 
1 1 1   20   30   30 o  567.782   44.600   8.4829   1.1320   8.0048   1.2983   9.9981   2.3115  546.161   46.237  589.404   76.280 -43.24341 89.19914 
1 1 1   20   30   32 o  575.945   59.333   10.320   1.6000   11.773   2.0677   8.1512   2.5262  648.942   61.973  502.949  101.198 145.9927 118.6665 
1 1 1   20   30   34 o  337.179   47.219   3.0898   0.8185   3.0898   0.8185   0.0000   0.0000  337.179   47.219  ?   ?       ?      ? 
1 1 1   20   30   36 o  506.502   46.805   6.8641   1.0383   6.3599   1.1774   8.6286   2.2025  481.792   47.532  531.211   80.646 -49.41916 93.61075 
1 1 1   20   30   38 o  148.040   40.000   0.5202   0.3922   0.6402   0.4351   0.0000   0.9059  152.290   48.960  143.790   63.267 8.499222 79.99923 
1 1 1   20   30   40 o  133.675   58.812   0.0000   0.7827   0.0000   0.0000   0.0000   0.7827  ?   ?   133.675   58.812      ?      ? 
1 1 1   20   30   42 o  195.736   50.885   1.1743   0.6668   1.2772   0.8264   0.9824   1.1288  201.763   67.624  189.709   76.055 12.05405 101.7708 
1 1 1   20   31    1 o  166.591   38.953   0.6958   0.3908   0.8323   0.5588   0.5652   0.5468  177.686   55.284  155.497   54.893 22.18874 77.90698 
1 1 1   20   31    3 o  415.616   42.142   4.5620   0.8941   5.3686   1.3118   3.8621   1.2219  450.389   56.651  380.843   62.405 69.54636 84.28414 
1 1 1   20   31    5 o  909.075   38.045   22.059   1.7495   23.459   2.3262   20.236   2.6545  945.153   47.872  872.996   59.143 72.15668 76.08978 
1 1 1   20   31    7 o  350.489   43.730   3.5128   0.7372   4.8220   1.0190   2.0750   1.0679  428.672   46.236  272.307   74.239 156.3649 87.46008 
1 1 1   20   31    9 o  150.718   36.052   0.5648   0.3329   0.4533   0.5180   0.6432   0.4344  144.860   53.127  156.576   48.750 -11.71597 72.10432 
1 1 1   20   31   11 o  239.133   39.577   1.5135   0.4667   1.3000   0.5870   1.8806   0.7696  217.430   52.992  260.836   58.798 -43.40604 79.15417 
1 1 1   20   31   13 o  278.350   50.350   2.0824   0.6569   1.9817   0.7617   2.3748   1.2975  268.024   57.027  288.676   82.995 -20.65176 100.6991 
1 1 1   20   31   15 o  341.295   37.020   3.1347   0.6306   2.6952   0.8791   3.6004   0.9050  313.427   56.640  369.163   47.685 -55.73636 74.04024 
1 1 1   20   31   17 o  309.983   37.030   2.5809   0.5742   2.2259   0.7845   2.9906   0.8428  284.099   55.704  335.867   48.807 -51.76825 74.06094 
1 1 1   20   31   19 o  244.614   39.418   1.6621   0.4858   1.8966   0.6985   1.4423   0.6761  261.962   53.667  227.266   57.749 34.69653 78.83604 
1 1 1   20   31   21 o  604.345   33.740   9.8068   1.0378   10.834   1.4277   8.6558   1.5111  639.990   43.389  568.699   51.682 71.29095 67.48083 
1 1 1   20   31   23 o  240.693   38.209   1.6096   0.4614   1.4271   0.6330   1.8164   0.6739  225.725   55.041  255.662   53.010 -29.93790 76.41764 
1 1 1   20   31   25 o  496.504   50.158   7.0308   1.0617   7.1091   1.2303   6.8025   2.1010  516.085   46.368  476.922   88.957 39.16263 100.3165 
1 1 1   20   31   27 f  211.667   36.062   1.2341   0.4349   1.9817   0.6108   0.4655   0.6193  272.758   43.554  150.576   57.488 122.1818 72.12411 
1 1 1   20   31   29 o  519.750   33.330   7.2072   0.8863   6.3291   1.1997   8.2623   1.3151  484.673   48.147  554.827   46.104 -70.15463 66.66094 
1 1 1   20   31   31 o  160.514   40.153   0.6469   0.4173   0.5107   0.6186   0.7606   0.5652  152.556   57.645  168.471   55.912 -15.91487 80.30679 
1 1 1   20   31   33 o  223.950   39.358   1.4447   0.4508   1.4852   0.6168   1.3983   0.6606  227.949   53.545  219.951   57.699 7.997437 78.71618 
1 1 1   20   31   35 o  308.419   50.891   2.7859   0.7065   2.7192   0.8057   3.0077   1.4699  314.042   49.899  302.796   88.712 11.24634 101.7825 
1 1 1   20   31   37 o  193.610   46.144   1.1079   0.4804   1.2075   0.5181   0.4972   1.2826  204.737   49.716  182.483   77.753 22.25433 92.28843 
1 1 1   20   31   39 o  304.579   50.056   3.2437   0.7519   3.7213   0.8851   2.0051   1.4254  365.315   47.123  243.844   88.327 121.4703 100.1114 
1 1 1   20   31   41 o  379.376   54.365   5.0326   0.8943   5.3670   1.0339   4.0384   1.7825  436.806   46.038  321.946   98.503 114.8591 108.7308 
1 1 1   20   32    0 o  581.023   59.290   9.0923   1.7288   9.0923   1.7288   0.0000   0.0000  581.023   59.290  581.023   59.290 -0.000000 0.000000 
1 1 1   20   32    2 o  453.370   42.063   5.4979   0.9753   4.9960   1.4018   5.9688   1.3579  432.245   63.080  474.494   55.662 -42.24890 84.12690 
1 1 1   20   32    4 o  336.327   35.150   2.9753   0.6062   3.2876   0.8775   2.6902   0.8385  353.410   48.293  319.245   51.087 34.16449 70.30048 
1 1 1   20   32    6 o  582.857   31.588   8.8802   0.9443   8.4058   1.2818   9.4433   1.3963  566.071   44.044  599.643   45.292 -33.57220 63.17669 
1 1 1   20   32    8 o  541.280   32.705   7.7331   0.9058   8.0279   1.2376   7.3932   1.3291  553.134   43.521  529.427   48.831 23.70703 65.41050 
1 1 1   20   32   10 o  515.696   30.013   6.9707   0.7938   7.0706   1.1676   6.8849   1.0824  518.796   43.776  512.595   41.071 6.200989 60.02591 
1 1 1   20   32   12 o  369.127   57.232   4.2372   0.9838   4.7590   1.1585   2.8879   1.8631  423.075   53.262  315.179  101.316 107.8952 114.4633 
1 1 1   20   32   14 o  325.513   37.217   3.0834   0.5650   4.0016   0.7527   1.8981   0.8552  391.038   37.440  259.987   64.334 131.0512 74.43478 
1 1 1   20   32   16 o  167.477   36.701   0.7277   0.3604   0.4602   0.5041   1.0073   0.5154  143.743   52.454  191.211   51.345 -47.46823 73.40144 
1 1 1   20   32   18 o  507.850   34.824   6.8570   0.8992   5.5882   1.2386   8.2707   1.3074  456.963   52.719  558.738   45.513 -101.7749 69.64722 
1 1 1   20   32   20 o  120.685   33.342   0.2485   0.2987   0.2159   0.4487   0.2745   0.4003  120.719   48.101  120.651   46.184 0.6801605E-01 66.68377 
1 1 1   20   32   22 o  739.774   32.989   14.581   1.2523   14.461   1.7163   14.717   1.8313  737.289   45.279  742.259   47.988 -4.970276 65.97778 
1 1 1   20   32   24 o  163.468   41.397   0.6661   0.4462   0.8844   0.5141   0.0000   0.8980  179.084   52.465  147.852   64.050 31.23152 82.79467 
1 1 1   20   32   26 o  351.902   42.220   3.2857   0.7317   4.3072   1.1977   2.6774   0.9243  396.285   58.787  307.519   60.616 88.76651 84.44019 
1 1 1   20   32   28 f  442.148   34.969   5.3256   0.7872   5.7398   1.0730   4.8428   1.1585  462.734   45.103  421.561   53.452 41.17322 69.93865 
1 1 1   20   32   30 f  644.640   46.914   11.918   1.5206   9.4454   2.1736   14.288   2.1281  570.919   74.052  718.360   57.620 -147.4414 93.82832 
1 1 1   20   32   32 o  413.366   35.399   4.6772   0.7504   4.6618   1.0252   4.6950   1.1012  413.544   48.220  413.187   51.839 0.3574524 70.79863 
1 1 1   20   32   34 o  259.709   46.881   2.0767   0.6317   1.6741   0.9893   2.3539   0.8209  234.580   73.650  284.838   58.027 -50.25832 93.76285 
1 1 1   20   32   36 o  238.780   50.310   1.8057   0.7623   2.6935   0.9911   0.5196   1.1928  298.187   66.357  179.372   75.637 118.8148 100.6195 
1 1 1   20   32   38 o  420.362   56.427   5.9150   0.9813   6.1461   1.1210   5.1575   2.0298  470.114   46.381  370.609  102.883 99.50473 112.8547 
1 1 1   20   32   40 f  168.421   44.741   0.4476   0.3778   0.2876   0.4041   1.5610   1.0660  118.468   46.115  218.375   76.685 -99.90668 89.48299 
1 1 1   20   33    1 o  413.979   34.159   4.5360   0.7227   3.9756   1.0217   5.0971   1.0223  387.636   51.264  440.322   45.160 -52.68591 68.31824 
1 1 1   20   33    3 o  303.970   37.602   2.4841   0.5750   2.5062   0.8343   2.4641   0.7936  302.686   55.666  305.253   50.568 -2.566742 75.20479 
1 1 1   20   33    5 o  609.381   31.826   9.8451   0.9858   10.409   1.3241   9.1437   1.4765  630.336   40.860  588.427   48.805 41.90875 63.65133 
1 1 1   20   33    7 o  466.447   32.628   5.7648   0.7768   6.0685   1.0562   5.4070   1.1465  480.716   42.735  452.179   49.316 28.53735 65.25632 
1 1 1   20   33    9 o  440.709   31.035   5.1032   0.7026   5.3221   1.0179   4.9040   0.9711  449.690   44.026  431.727   43.752 17.96347 62.06900 
1 1 1   20   33   11 o  547.091   40.326   7.9844   1.1291   7.7003   1.5154   8.3390   1.6928  537.004   54.887  557.178   59.096 -20.17395 80.65282 
1 1 1   20   33   13 o  459.328   41.996   6.0544   0.8895   3.6372   1.2857   8.2737   1.2319  358.250   72.295  560.407   42.757 -202.1566 83.99236 
1 1 1   20   33   15 o  539.982   37.816   8.0531   0.9837   4.9145   1.3798   11.297   1.4028  425.192   63.118  654.773   41.670 -229.5811 75.63229 
1 1 1   20   33   17 o  280.911   39.328   2.2460   0.5517   1.3964   0.7947   3.0363   0.7664  223.149   65.185  338.672   44.017 -115.5229 78.65522 
1 1 1   20   33   19 o  163.171   37.458   0.7007   0.3597   0.6760   0.5107   0.7249   0.5068  161.136   53.133  165.206   52.813 -4.070847 74.91541 
1 1 1   20   33   21 o  266.240   39.345   1.9951   0.5192   2.1180   0.7030   1.8475   0.7702  276.900   51.270  255.580   59.695 21.31949 78.69036 
1 1 1   20   33   23 o  637.916   33.379   10.834   1.0917   9.8826   1.4862   11.948   1.6088  607.471   47.587  668.361   46.819 -60.89050 66.75745 
1 1 1   20   33   25 o  313.582   45.008   3.2182   0.7095   1.2519   1.1413   4.4569   0.9059  218.199   79.036  408.964   43.083 -190.7649 90.01567 
1 1 1   20   33   27 o  376.430   42.413   3.7803   0.7906   4.4671   1.3476   3.4198   0.9762  398.849   65.716  354.011   53.638 44.83844 84.82671 
1 1 1   20   33   29 o  440.073   63.787   5.4558   1.4432   0.0000   0.0000   5.4558   1.4432  ?   ?   440.073   63.787      ?      ? 
1 1 1   20   33   31 o  331.191   37.693   3.0989   0.6174   3.4935   0.8503   2.6587   0.8979  358.765   46.097  303.616   59.650 55.14853 75.38622 
1 1 1   20   33   33 o  242.825   39.377   1.7002   0.4876   1.2304   0.6695   2.2309   0.7116  205.201   59.801  280.448   51.244 -75.24689 78.75385 
1 1 1   20   33   35 o  178.809   47.195   0.8381   0.5866   1.0150   0.7374   0.5332   0.9680  188.199   63.872  169.420   69.498 18.77921 94.39091 
1 1 1   20   33   37 o  351.220   37.189   3.4109   0.6625   2.8609   0.8599   4.2139   1.0390  317.243   52.721  385.196   52.466 -67.95294 74.37901 
1 1 1   20   33   39 o  156.208   44.097   0.5320   0.4273   0.5314   0.4638   0.5351   1.0982  141.747   50.500  170.669   72.304 -28.92136 88.19355 
1 1 1   20   34    0 o  583.676   52.508   9.3117   1.4369   8.9975   1.7846   9.8909   2.4231  575.497   62.151  591.855   84.650 -0.000000 0.000000 
1 1 1   20   34    2 o  414.140   34.748   4.5591   0.7363   4.1580   1.0572   4.9370   1.0262  395.665   51.972  432.615   46.136 -36.95038 69.49580 
1 1 1   20   34    4 o  298.618   37.011   2.3875   0.5554   2.6220   0.8267   2.1946   0.7497  314.285   51.160  282.951   53.498 31.33383 74.02298 
1 1 1   20   34    6 o  560.732   31.893   8.2660   0.9170   7.9507   1.2434   8.6419   1.3576  549.382   44.022  572.081   46.159 -22.69836 63.78568 
1 1 1   20   34    8 o  147.021   34.286   0.5486   0.2997   0.5878   0.4456   0.5162   0.4051  151.311   49.616  142.732   47.333 8.578415 68.57214 
1 1 1   20   34   10 o  541.828   40.599   7.8787   1.1199   7.8190   1.4828   7.9579   1.7086  541.063   53.306  542.594   61.249 -1.530884 81.19702 
1 1 1   20   34   12 o  531.979   36.198   7.5048   0.9856   8.0097   1.4808   7.1033   1.3205  547.400   52.618  516.558   49.724 30.84271 72.39526 
1 1 1   20   34   14 o  506.925   33.200   6.7076   0.8533   5.3370   1.1344   8.4932   1.2948  447.476   49.310  566.373   44.467 -118.8971 66.39923 
1 1 1   20   34   16 o  582.754   35.248   9.1247   1.0422   7.4230   1.4619   10.884   1.4863  525.188   54.142  640.320   45.147 -115.1323 70.49529 
1 1 1   20   34   18 o  139.285   35.764   0.4392   0.3307   0.4889   0.4800   0.3943   0.4563  143.894   51.360  134.675   49.785 9.218262 71.52898 
1 1 1   20   34   20 o  666.862   34.085   11.907   1.1680   11.918   1.6260   11.894   1.6788  667.652   47.370  666.072   49.024 1.580566 68.17087 
1 1 1   20   34   22 o  252.804   40.023   1.8219   0.5097   2.1517   0.7078   1.4666   0.7346  278.662   51.296  226.947   61.451 51.71538 80.04696 
1 1 1   20   34   24 o  185.917   48.837   0.7713   0.5857   0.6393   0.7055   1.0641   1.0507  166.504   61.834  205.331   75.611 -38.82623 97.67494 
1 1 1   20   34   26 o  308.359   46.441   2.5512   0.6894   3.6038   1.1902   2.0197   0.8457  352.457   68.144  264.261   63.115 88.19659 92.88255 
1 1 1   20   34   28 o  538.469   46.414   8.9531   1.1062   10.568   1.3881   6.1430   1.8310  627.371   43.036  449.566   82.250 177.8042 92.82864 
1 1 1   20   34   30 o  439.301   36.453   5.4259   0.8018   6.3145   1.0903   4.3794   1.1832  483.355   43.876  395.248   58.226 88.10629 72.90614 
1 1 1   20   34   32 o  470.743   34.940   6.1019   0.8419   6.0049   1.1359   6.2202   1.2542  467.992   47.211  473.495   51.522 -5.503021 69.88100 
1 1 1   20   34   34 o  250.795   51.358   2.0190   0.6484   2.1201   0.7302   1.6423   1.4096  270.274   54.434  231.317   87.106 38.95683 102.7159 
1 1 1   20   34   36 o  291.688   40.471   2.5236   0.5834   2.5884   0.7955   2.4483   0.8582  297.948   53.919  285.429   60.369 12.51865 80.94221 
1 1 1   20   34   38 f  300.173   40.216   2.8101   0.5911   3.6916   0.8062   1.7855   0.8691  364.375   43.034  235.971   67.952 128.4039 80.43291 
1 1 1   20   35    1 o  753.709   33.502   15.039   1.2957   16.314   1.8547   13.824   1.8108  785.565   45.922  721.854   48.793 63.71118 67.00439 
1 1 1   20   35    3 o  564.530   35.148   8.5620   1.0075   7.3736   1.4650   9.6284   1.3877  525.184   54.257  603.876   44.696 -78.69189 70.29565 
1 1 1   20   35    5 o  592.490   35.028   9.3597   1.0626   8.9026   1.5493   9.7657   1.4601  577.730   52.160  607.249   46.767 -29.51904 70.05585 
1 1 1   20   35    7 o  713.378   32.449   13.487   1.1866   13.683   1.6250   13.264   1.7369  719.792   43.912  706.964   47.787 12.82831 64.89881 
1 1 1   20   35    9 o  236.401   46.423   1.5821   0.5730   1.6366   0.7178   1.4863   0.9514  241.772   58.404  231.030   72.175 10.74168 92.84543 
1 1 1   20   35   11 o  476.172   32.618   6.1965   0.7673   4.3851   1.1045   7.8864   1.0668  404.415   53.120  547.929   37.869 -143.5141 65.23661 
1 1 1   20   35   13 o  507.146   32.604   6.8195   0.8479   6.6256   1.1519   7.0486   1.2526  499.754   44.832  514.539   47.351 -14.78500 65.20728 
1 1 1   20   35   15 o  594.747   32.423   9.3844   0.9848   9.1788   1.3134   9.6485   1.4885  588.367   43.421  601.126   48.162 -12.75873 64.84520 
1 1 1   20   35   17 o  261.090   40.653   1.9082   0.5314   2.1888   0.7751   1.6594   0.7299  279.957   55.811  242.223   59.125 37.73360 81.30619 
1 1 1   20   35   19 o  183.536   37.154   0.9142   0.3954   0.4460   0.5652   1.3630   0.5534  145.854   55.104  221.218   49.851 -75.36348 74.30738 
1 1 1   20   35   21 o  439.339   36.024   5.2098   0.8132   5.1697   1.1284   5.2531   1.1729  437.920   50.117  440.758   51.761 -2.837769 72.04798 
1 1 1   20   35   23 o  154.493   42.872   0.4515   0.4986   0.6600   0.6028   0.0000   0.8871  162.760   57.617  146.226   63.502 16.53391 85.74487 
1 1 1   20   35   25 o  174.906   40.738   0.7050   0.4542   1.3336   0.6934   0.2325   0.6012  215.646   60.229  134.165   54.872 81.48044 81.47688 
1 1 1   20   35   27 o  256.318   43.292   1.8820   0.5608   1.6405   0.7468   2.1941   0.8491  237.630   60.859  275.006   61.588 -37.37596 86.58443 
1 1 1   20   35   29 o  204.548   39.980   1.2128   0.4375   1.3644   0.6035   1.0448   0.6353  217.815   54.130  191.282   58.851 26.53348 79.95943 
1 1 1   20   35   31 o  489.142   46.074   5.7801   0.9926   4.8143   1.1124   9.5536   2.1989  416.025   52.008  562.259   76.069 -146.2337 92.14817 
1 1 1   20   35   33 o  205.576   40.091   1.2506   0.4435   1.0098   0.6371   1.4769   0.6176  186.431   59.174  224.721   54.107 -38.28935 80.18216 
1 1 1   20   35   35 o  315.178   48.106   2.9939   0.7367   3.4887   1.2169   2.7075   0.9257  331.269   73.381  299.087   62.225 32.18195 96.21156 
1 1 1   20   35   37 o  186.503   39.193   1.0384   0.4008   0.9892   0.5328   1.1025   0.6084  182.175   53.417  190.830   57.366 -8.655045 78.38528 
1 1 1   20   36    0 o  546.435   52.899   7.9666   1.3536   9.8992   2.3346   6.9879   1.6613  592.270   80.956  500.599   68.113 0.000000 0.000000 
1 1 1   20   36    2 o  149.607   34.404   0.5350   0.3130   0.8371   0.4719   0.2976   0.4183  174.963   49.977  124.250   47.294 50.71273 68.80774 
1 1 1   20   36    4 o  404.703   36.622   4.4509   0.7477   3.6678   1.0908   5.1449   1.0268  368.736   57.538  440.671   45.323 -71.93594 73.24469 
1 1 1   20   36    6 o  188.588   44.592   0.9425   0.5558   1.3651   0.6690   0.0000   0.9990  220.836   58.126  156.339   67.641 64.49689 89.18479 
1 1 1   20   36    8 o  597.729   59.425   11.199   1.4987   12.538   1.7930   8.0929   2.7304  684.673   50.936  510.786  107.381 173.8867 118.8493 
1 1 1   20   36   10 o  120.660   31.673   0.3049   0.2602   0.3246   0.3929   0.2894   0.3472  124.155   46.138  117.166   43.406 6.988449 63.34634 
1 1 1   20   36   12 o  220.881   35.759   1.3555   0.3966   1.3601   0.5813   1.3515   0.5426  220.902   52.040  220.861   49.059 0.4174805E-01 71.51840 
1 1 1   20   36   14 o  384.250   34.064   3.9383   0.6703   3.8365   0.9044   4.0623   0.9986  379.301   46.379  389.200   49.905 -9.898499 68.12842 
1 1 1   20   36   16 o  382.314   37.125   3.9266   0.7279   4.3200   1.0688   3.5863   0.9940  400.287   51.933  364.340   53.066 35.94705 74.24982 
1 1 1   20   36   18 o  315.567   39.122   2.7696   0.6142   2.4895   0.9014   3.0124   0.8392  296.253   61.207  334.880   48.744 -38.62729 78.24496 
1 1 1   20   36   20 o  216.821   39.934   1.3262   0.4629   1.7658   0.6603   0.9013   0.6492  251.002   52.840  182.640   59.890 68.36160 79.86783 
1 1 1   20   36   22 o  696.988   87.526   14.529   3.1364   0.0000   0.0000   14.529   3.1364  ?   ?   696.988   87.526      ?      ? 
1 1 1   20   36   24 o  457.474   54.168   6.3835   1.1895   4.7831   1.7869   7.6571   1.5941  389.906   90.827  525.042   59.055 -135.1363 108.3370 
1 1 1   20   36   26 o  207.300   40.695   1.2422   0.4509   1.1047   0.6635   1.3601   0.6147  196.793   60.078  217.807   54.907 -21.01485 81.38922 
1 1 1   20   36   28 o  582.862   35.502   9.3896   1.0576   9.9655   1.4536   8.7421   1.5414  604.466   46.775  561.259   53.419 43.20630 71.00375 
1 1 1   20   36   30 o  245.283   41.390   1.7586   0.5152   1.5493   0.7052   1.9983   0.7545  229.093   59.380  261.473   57.675 -32.37994 82.77901 
1 1 1   20   36   32 o  268.144   41.172   2.1255   0.5513   2.1709   0.7777   2.0795   0.7817  271.505   57.504  264.783   58.940 6.722198 82.34466 
1 1 1   20   36   34 o  319.309   53.917   3.7879   1.0280   5.2728   1.2862   1.1624   1.7103  425.000   58.864  213.618   90.350 211.3825 107.8338 
1 1 1   20   36   36 o  138.207   35.474   0.4787   0.3395   0.6801   0.4489   0.2096   0.5189  154.232   49.751  122.182   50.582 32.05083 70.94820 
1 1 1   20   37    1 o  652.968   44.557   10.460   1.3516   9.0451   1.5636   14.642   2.6884  580.633   52.378  725.302   72.095 -144.6693 89.11330 
1 1 1   20   37    3 o  452.255   34.807   5.4628   0.8084   5.4469   1.1694   5.4773   1.1189  451.215   50.408  453.296   48.012 -2.080780 69.61424 
1 1 1   20   37    5 o  279.066   51.064   2.3770   0.7315   2.6944   0.8585   1.5357   1.3976  316.676   52.730  241.456   87.462 75.22005 102.1276 
1 1 1   20   37    7 o  339.759   38.349   3.1177   0.6523   3.6035   0.9745   2.7234   0.8780  366.365   51.738  313.153   56.620 53.21255 76.69804 
1 1 1   20   37    9 o  302.343   34.275   2.4709   0.5139   3.0122   0.7492   1.9899   0.7063  336.998   43.240  267.688   53.193 69.31015 68.55090 
1 1 1   20   37   11 o  376.996   30.957   3.7637   0.5976   4.2586   0.8700   3.3215   0.8223  400.815   42.219  353.177   45.287 47.63736 61.91401 
1 1 1   20   37   13 o  328.245   35.299   2.8520   0.5862   3.1312   0.9305   2.6683   0.7548  340.417   53.165  316.073   46.451 24.34451 70.59878 
1 1 1   20   37   15 o  276.858   41.942   2.1668   0.5779   2.1962   0.8481   2.1413   0.7897  278.009   61.013  275.707   57.568 2.301788 83.88458 
1 1 1   20   37   17 o  685.764   45.644   10.739   1.4387   8.1192   1.6444   19.292   2.9711  543.869   58.808  827.659   69.823 -283.7900 91.28869 
1 1 1   20   37   19 o  559.880   36.464   8.5080   1.0486   8.2962   1.5025   8.7090   1.4641  552.310   52.915  567.449   50.186 -15.13855 72.92845 
1 1 1   20   37   21 o  360.844   78.489   3.9084   1.4147   3.9084   1.4147   0.0000   0.0000  360.844   78.489  ?   ?       ?      ? 
1 1 1   20   37   23 o  311.397   41.288   2.5229   0.6323   1.4253   0.7966   4.3919   1.0395  221.448   65.428  401.346   50.377 -179.8977 82.57525 
1 1 1   20   37   25 o  349.190   37.988   3.3963   0.6610   2.8709   0.9117   3.9787   0.9598  316.697   58.136  381.684   48.913 -64.98749 75.97550 
1 1 1   20   37   27 o  446.284   36.563   5.5411   0.8318   6.2456   1.1682   4.8164   1.1847  477.666   47.568  414.903   55.540 62.76273 73.12600 
1 1 1   20   37   29 o  835.944   34.566   19.320   1.4819   19.263   2.0269   19.386   2.1722  836.705   47.118  835.183   50.587 1.521240 69.13165 
1 1 1   20   37   31 o  339.854   40.864   3.4140   0.6790   4.2137   0.9485   2.5735   0.9724  389.735   47.335  289.973   66.625 99.76166 81.72813 
1 1 1   20   37   33 o  220.905   54.842   1.5796   0.7743   1.7686   0.9493   1.2038   1.3382  234.996   71.883  206.815   82.845 28.18124 109.6836 
1 1 1   20   37   35 o  142.839   36.955   0.4826   0.3761   0.8035   0.5230   0.1389   0.5413  165.837   53.718  119.840   50.766 45.99709 73.91092 
1 1 1   20   38    0 o  155.099   50.887   0.9659   0.5495   1.3525   0.6502   0.0000   1.0277  197.035   70.332  113.163   73.562 -0.000000 0.000000 
1 1 1   20   38    2 o  711.137   48.735   14.000   1.5731   13.946   1.8425   14.147   3.0216  721.457   49.675  700.817   83.862 20.63953 97.47023 
1 1 1   20   38    4 o  212.125   48.460   1.2474   0.5732   1.3261   0.6727   1.0388   1.0952  216.988   58.824  207.262   77.028 9.725906 96.92035 
1 1 1   20   38    6 o  427.957   36.690   4.9567   0.8008   4.6628   1.1860   5.2029   1.0857  414.799   55.614  441.115   47.871 -26.31577 73.37972 
1 1 1   20   38    8 o  541.671   34.275   7.8239   0.9311   5.7328   1.2650   10.297   1.3756  460.642   53.413  622.701   42.967 -162.0590 68.54966 
1 1 1   20   38   10 o  210.411   37.244   1.2429   0.4053   1.0230   0.5745   1.4607   0.5718  191.685   55.263  229.137   49.945 -37.45204 74.48787 
1 1 1   20   38   12 o  411.463   34.776   4.4584   0.7139   4.9329   1.1820   4.1859   0.8958  426.543   53.901  396.383   43.957 30.16046 69.55210 
1 1 1   20   38   14 o  282.015   40.173   2.2314   0.5692   1.9687   0.8350   2.4594   0.7781  262.034   62.802  301.996   50.112 -39.96143 80.34505 
1 1 1   20   38   16 o  292.728   36.607   2.3379   0.5337   1.8716   0.7237   2.8937   0.7901  257.218   56.290  328.239   46.818 -71.02136 73.21495 
1 1 1   20   38   18 o  508.492   59.145   8.8652   1.2446   5.2165   2.2787   10.416   1.4858  394.737  108.791  622.248   46.445 -227.5113 118.2900 
1 1 1   20   38   20 o  272.134   78.746   2.2453   1.1646   2.2453   1.1646   0.0000   0.0000  272.134   78.746  ?   ?       ?      ? 
1 1 1   20   38   22 o  364.236   37.320   3.6501   0.6978   3.7307   0.9679   3.5628   1.0069  369.216   50.987  359.256   54.512 9.959900 74.64069 
1 1 1   20   38   24 o  268.159   40.740   2.0576   0.5441   1.8047   0.7350   2.3641   0.8091  249.332   58.371  286.987   56.848 -37.65532 81.47956 
1 1 1   20   38   26 o  344.678   39.770   3.3825   0.6860   3.5202   0.9427   3.2275   1.0002  356.369   51.452  332.987   60.657 23.38196 79.54007 
1 1 1   20   38   28 o  241.006   41.156   1.7087   0.5182   1.1437   0.7166   2.3280   0.7503  197.455   62.769  284.556   53.246 -87.10118 82.31152 
1 1 1   20   38   30 o  256.970   41.945   1.9800   0.5449   2.2366   0.7678   1.7197   0.7734  275.952   56.031  237.988   62.434 37.96451 83.88969 
1 1 1   20   38   32 o  325.814  107.072   4.3055   2.0747   0.0000   0.0000   4.3055   2.0747  ?   ?   325.814  107.072      ?      ? 
1 1 1   20   38   34 o  213.879   41.446   1.4939   0.5251   2.0927   0.6783   0.5983   0.8296  266.331   51.402  161.428   65.029 104.9031 82.89102 
1 1 1   20   39    1 o  926.882   59.097   24.927   2.7711   20.016   3.8591   30.155   3.9815  822.284   91.285  1031.48   75.078 -209.1965 118.1935 
1 1 1   20   39    3 o  202.342   45.800   1.1292   0.5077   0.9722   0.9866   1.1857   0.5921  199.152   73.278  205.533   54.964 -6.381363 91.60078 
1 1 1   20   39    5 o  255.437   44.390   1.3392   0.5470   3.3356   1.1272   0.7240   0.6257  341.816   66.533  169.057   58.783 172.7594 88.78060 
1 1 1   20   39    7 o  315.073   40.958   2.8095   0.6341   2.4261   0.9694   3.0962   0.8383  290.359   66.387  339.787   47.989 -49.42743 81.91555 
1 1 1   20   39    9 o  419.403   38.926   4.7788   0.8267   4.8180   1.2847   4.7510   1.0800  418.861   59.657  419.946   50.021 -1.085205 77.85284 
1 1 1   20   39   11 o  274.447   40.469   2.1988   0.5446   1.7005   0.8809   2.5071   0.6929  242.394   67.950  306.500   43.973 -64.10599 80.93742 
1 1 1   20   39   13 o  386.520   34.443   4.0064   0.6817   3.5398   0.9315   4.5444   1.0002  361.910   50.060  411.130   47.321 -49.21997 68.88612 
1 1 1   20   39   15 o  190.455   41.709   1.0078   0.4448   1.0065   0.7054   1.0087   0.5731  191.296   62.412  189.614   55.346 1.682007 83.41721 
1 1 1   20   39   17 o  396.471   45.589   4.4857   0.9002   5.0563   1.2680   3.9059   1.2783  427.715   57.662  365.227   70.629 62.48752 91.17760 
1 1 1   20   39   19 f  577.387   51.771   9.1383   1.3421   8.5786   1.5445   10.864   2.7122  558.525   53.788  596.250   88.474 -37.72473 103.5415 
1 1 1   20   39   21 o  601.236   41.496   9.5736   1.2397   12.416   2.1122   8.0799   1.5311  662.742   61.991  539.729   55.178 123.0129 82.99130 
1 1 1   20   39   23 o  233.659   40.463   1.5773   0.5014   0.9668   0.6936   2.2456   0.7257  185.862   61.950  281.456   52.068 -95.59418 80.92522 
1 1 1   20   39   25 o  374.110   39.338   4.0332   0.7210   4.7414   0.9978   3.2595   1.0429  415.822   46.673  332.398   63.337 83.42459 78.67644 
1 1 1   20   39   27 o  494.823   36.708   6.8656   0.9205   5.5174   1.2749   8.3338   1.3304  440.400   56.306  549.247   47.113 -108.8473 73.41621 
1 1 1   20   39   29 o  386.323   37.564   4.2275   0.7449   3.9291   1.0243   4.5623   1.0851  371.553   53.622  401.092   52.622 -29.53903 75.12873 
1 1 1   20   39   31 o  408.966   55.575   5.0395   0.9645   4.6856   1.0930   6.2852   2.0504  404.228   52.590  413.705   97.921 -9.476135 111.1497 
1 1 1   20   40    0 o  682.812   55.986   13.310   1.7842   12.414   2.9376   13.834   2.2459  652.797   92.985  712.827   62.383 0.000000 0.000000 
1 1 1   20   40    2 o  364.334   65.317   4.0753   1.2484   3.0130   1.7096   5.2887   1.8272  310.790   96.697  417.878   87.835 -107.0878 130.6343 
1 1 1   20   40    4 o  275.897   49.940   2.1027   0.6394   2.4628   1.2905   1.9856   0.7361  286.157   82.919  265.637   55.680 20.51950 99.87913 
1 1 1   20   40    6 o  503.183   51.074   7.4264   1.1248   6.7621   2.1010   7.6934   1.3318  471.618   89.933  534.748   48.440 -63.13068 102.1488 
1 1 1   20   40    8 o  325.091   42.716   3.0745   0.6764   2.3665   1.0340   3.6042   0.8944  284.030   71.002  366.153   47.511 -82.12268 85.43160 
1 1 1   20   40   10 o  298.389   47.754   2.3563   0.6671   3.2832   1.2454   1.9834   0.7900  333.251   74.556  263.527   59.692 69.72394 95.50769 
1 1 1   20   40   12 o  381.878   44.511   4.1171   0.8523   4.4735   1.2094   3.7655   1.2012  402.566   58.435  361.191   67.159 41.37573 89.02238 
1 1 1   20   40   14 o  282.953   46.205   2.3211   0.6908   1.4969   0.9735   3.1574   0.9806  227.375   73.250  338.530   56.338 -111.1547 92.41007 
1 1 1   20   40   16 o  330.728   43.110   3.2718   0.6789   3.7796   0.8683   2.4730   1.0889  374.474   45.100  286.981   73.484 87.49286 86.21969 
1 1 1   20   40   18 f  314.996   51.533   3.6505   0.8085   4.3446   0.9171   1.2318   1.7121  401.168   44.467  228.824   92.981 172.3441 103.0667 
1 1 1   20   40   20 o  278.846   46.633   2.0244   0.6330   3.3793   1.1429   1.4248   0.7603  337.480   68.218  220.212   63.598 117.2676 93.26556 
1 1 1   20   40   22 o  258.756   37.823   1.9649   0.5422   0.5205   0.7593   3.4670   0.7743  159.436   62.875  358.076   42.061 -198.6402 75.64652 
1 1 1   20   40   24 o  583.398   38.236   9.6182   1.0987   6.5323   1.5131   13.060   1.5980  475.945   61.837  690.852   44.991 -214.9076 76.47247 
1 1 1   20   40   26 o  640.109   36.336   11.453   1.1898   10.001   1.6326   13.097   1.7375  594.888   53.379  685.330   49.314 -90.44250 72.67154 
1 1 1   20   40   28 o  241.111   41.565   1.7470   0.5130   1.4966   0.7143   2.0137   0.7372  221.911   60.805  260.310   56.687 -38.39967 83.12984 
1 1 1   20   40   30 o  529.158   37.535   8.0564   1.0202   7.7067   1.4071   8.4441   1.4814  517.255   52.912  541.060   53.253 -23.80560 75.07043 
1 1 1   20   41    1 o  265.658   46.474   2.0337   0.6393   2.5632   0.9295   1.5582   0.8808  299.243   62.438  232.072   68.855 67.17090 92.94849 
1 1 1   20   41    3 o  307.882   49.161   2.7409   0.7586   3.1709   1.1326   2.3911   1.0216  330.293   68.926  285.470   70.117 44.82245 98.32167 
1 1 1   20   41    5 o  143.095   37.964   0.4099   0.4005   0.0000   0.6280   0.6910   0.5200  124.508   53.750  161.683   53.628 -37.17493 75.92834 
1 1 1   20   41    7 o  475.587   41.541   6.2214   1.0135   5.7934   1.3817   6.7200   1.4913  457.991   58.681  493.182   58.814 -35.19012 83.08118 
1 1 1   20   41    9 o  526.910   42.063   7.7132   1.1366   8.1200   1.5861   7.2838   1.6295  542.899   56.826  510.920   62.033 31.97867 84.12640 
1 1 1   20   41   11 o  536.337   34.386   7.7744   0.9461   7.4748   1.2874   8.1262   1.3950  525.695   47.632  546.979   49.607 -21.28351 68.77201 
1 1 1   20   41   13 o  233.466   37.702   1.5667   0.4447   1.2825   0.6464   1.8222   0.6128  211.396   57.808  255.536   48.414 -44.13994 75.40393 
1 1 1   20   41   15 o  172.353   36.740   0.8262   0.3535   0.9255   0.5079   0.7328   0.4924  181.105   51.887  163.601   52.031 17.50468 73.48086 
1 1 1   20   41   17 f  215.264   48.414   1.3127   0.5269   1.3268   0.5847   1.2517   1.2156  215.183   53.163  215.344   80.929 -0.1605682 96.82851 
1 1 1   20   41   19 o  122.362   34.528   0.2597   0.3167   0.0000   0.5985   0.3607   0.3732  120.462   52.235  124.261   45.169 -3.799820 69.05642 
1 1 1   20   41   21 o  191.129   42.607   1.0546   0.4660   1.0336   0.7072   1.0708   0.6195  190.020   62.515  192.237   57.909 -2.217697 85.21458 
1 1 1   20   41   23 o  485.440   37.442   6.6189   0.9340   6.9179   1.3355   6.3327   1.3066  496.671   52.299  474.208   53.594 22.46246 74.88316 
1 1 1   20   41   25 o  437.483   38.708   5.4548   0.8706   5.5294   1.2345   5.3810   1.2278  440.651   54.493  434.315   54.988 6.335968 77.41561 
1 1 1   20   41   27 o  373.623   38.354   4.0210   0.7324   4.1411   0.9966   3.8800   1.0801  382.176   50.721  365.069   57.547 17.10727 76.70889 
1 1 1   20   41   29 o  230.778   42.173   1.6377   0.5051   1.4791   0.7030   1.8070   0.7262  218.606   60.496  242.949   58.775 -24.34238 84.34567 
1 1 1   20   42    0 o  137.352   68.490   0.7508   0.5881   0.7508   0.5881   0.0000   0.0000  137.352   68.490  137.352   68.490 -0.000000 0.000000 
1 1 1   20   42    2 o  178.883   42.956   0.8556   0.4718   0.8052   0.6905   0.8997   0.6461  176.132   61.725  181.634   59.757 -5.502701 85.91190 
1 1 1   20   42    4 o  326.430   41.462   3.0804   0.6628   2.2915   0.9689   3.7743   0.9087  279.111   68.119  373.748   47.291 -94.63690 82.92487 
1 1 1   20   42    6 o  370.588   40.094   3.8690   0.7350   3.5243   1.0978   4.1493   0.9897  350.284   63.285  390.892   49.244 -40.60757 80.18749 
1 1 1   20   42    8 o  237.050   36.809   1.6034   0.4589   2.3370   0.6485   0.8678   0.6494  295.161   42.735  178.939   59.943 116.2219 73.61744 
1 1 1   20   42   10 o  164.325   34.978   0.7087   0.3467   1.1291   0.4927   0.2966   0.4879  200.111   48.419  128.539   50.491 71.57217 69.95553 
1 1 1   20   42   12 o  619.323   32.393   10.482   1.0207   9.3490   1.4935   11.476   1.3981  584.848   49.672  653.799   41.594 -68.95148 64.78697 
1 1 1   20   42   14 o  205.967   37.687   1.2160   0.4016   1.2120   0.5873   1.2194   0.5505  205.345   54.660  206.589   51.899 -1.244568 75.37375 
1 1 1   20   42   16 o  435.046   43.914   5.3705   0.9674   5.2387   1.2598   5.5598   1.5101  432.144   56.704  437.947   67.070 -5.802643 87.82747 
1 1 1   20   42   18 o  585.695   39.529   9.7833   1.1646   7.8368   1.6760   11.600   1.6193  522.296   62.416  649.093   48.522 -126.7969 79.05847 
1 1 1   20   42   20 o  249.839   42.571   1.9090   0.5460   1.4462   0.8347   2.2551   0.7219  218.914   67.477  280.763   51.923 -61.84917 85.14175 
1 1 1   20   42   22 o  500.015   39.863   7.1338   0.9966   9.2523   1.4530   5.2519   1.3694  576.268   49.042  423.761   62.857 152.5065 79.72517 
1 1 1   20   42   24 o  305.347   41.803   2.7762   0.6323   2.9198   0.8929   2.6318   0.8956  314.690   57.299  296.005   60.884 18.68509 83.60683 
1 1 1   20   42   26 o  260.413   43.513   2.0876   0.5736   2.2126   0.7913   1.9492   0.8327  270.802   58.542  250.023   64.391 20.77959 87.02534 
1 1 1   20   42   28 o  357.729   42.592   3.8932   0.7530   4.6247   1.0669   3.1673   1.0628  399.924   51.890  315.534   67.555 84.39081 85.18353 
1 1 1   20   43    1 o  612.714   36.673   10.330   1.1491   9.3122   1.6412   11.308   1.6094  580.636   54.979  644.793   48.549 -64.15729 73.34643 
1 1 1   20   43    3 o  701.080   36.702   13.411   1.3171   15.260   1.9318   11.804   1.8005  747.393   50.273  654.768   53.486 92.62573 73.40360 
1 1 1   20   43    5 o  232.202   42.890   1.5384   0.5165   1.8600   0.7866   1.2946   0.6848  252.754   61.189  211.651   60.117 41.10321 85.77969 
1 1 1   20   43    7 o  191.986   39.778   1.0121   0.4222   1.3671   0.6434   0.7437   0.5595  217.729   56.861  166.244   55.642 51.48474 79.55668 
1 1 1   20   43    9 o  466.516   39.569   6.1479   0.9304   5.3628   1.3927   6.7807   1.2503  434.936   62.281  498.096   48.825 -63.15991 79.13829 
1 1 1   20   43   11 o  342.776   37.318   3.1862   0.6481   3.6416   1.0280   2.8859   0.8348  361.488   55.315  324.065   50.108 37.42343 74.63584 
1 1 1   20   43   13 o  455.521   38.051   5.9391   0.8434   5.1437   1.3731   6.4211   1.0688  423.822   63.015  487.221   42.670 -63.39859 76.10260 
1 1 1   20   43   15 o  577.706   41.017   9.4499   1.1550   9.4639   1.4313   9.4236   1.9558  587.164   47.413  568.248   66.945 18.91620 82.03364 
1 1 1   20   43   17 o  264.908   44.158   2.0563   0.5948   2.6400   0.8958   1.5962   0.7953  299.591   60.249  230.225   64.575 69.36563 88.31687 
1 1 1   20   43   19 o  283.975   55.999   2.5363   0.7556   2.4996   0.8511   2.6730   1.6418  291.217   58.870  276.733   95.278 14.48343 111.9978 
1 1 1   20   43   21 o  229.264   45.197   1.6476   0.5701   1.1739   0.8708   2.0030   0.7542  199.033   69.340  259.495   57.991 -60.46127 90.39355 
1 1 1   20   43   23 o  231.780   38.945   1.5946   0.5238   0.5578   0.7427   2.6209   0.7389  157.429   62.151  306.131   46.948 -148.7021 77.89049 
1 1 1   20   43   25 o  213.295   43.004   1.4125   0.4982   1.2349   0.7277   1.5690   0.6834  199.961   63.221  226.630   58.315 -26.66862 86.00876 
1 1 1   20   44    0 o  658.349   57.899   12.573   1.7939   12.471   2.9292   12.635   2.2692  644.534   94.300  672.165   67.206 0.000000 0.000000 
1 1 1   20   44    2 o  722.982   52.661   15.323   1.7245   15.210   2.0238   15.622   3.2949  741.404   53.093  704.560   90.961 36.84491 105.3219 
1 1 1   20   44    4 o  242.113   51.647   1.7343   0.6460   1.7200   0.7502   1.7755   1.2705  242.390   60.411  241.835   83.785 0.5548553 103.2931 
1 1 1   20   44    6 o  168.126   36.544   0.7178   0.3736   1.2276   0.5549   0.2951   0.5052  206.955   52.164  129.298   51.192 77.65726 73.08720 
1 1 1   20   44    8 o  278.485   37.261   2.2014   0.5190   2.4436   0.7168   1.9345   0.7524  299.159   46.606  257.811   58.149 41.34830 74.52110 
1 1 1   20   44   10 o  275.726   39.212   2.1932   0.5365   2.0082   0.7586   2.3782   0.7588  262.618   57.756  288.835   53.053 -26.21628 78.42433 
1 1 1   20   44   12 f  597.202   32.706   9.8081   0.9975   9.3644   1.4746   10.182   1.3544  582.226   49.261  612.179   43.034 -29.95337 65.41101 
1 1 1   20   44   14 o  633.209   44.138   11.699   1.4098   12.317   1.8663   10.879   2.1515  660.805   54.933  605.613   69.101 55.19183 88.27515 
1 1 1   20   44   16 f  500.115   34.324   6.9990   0.8736   6.1517   1.2642   7.7732   1.2085  467.696   52.577  532.534   44.139 -64.83774 68.64781 
1 1 1   20   44   18 o  380.854   38.536   4.1462   0.7500   4.3826   1.0304   3.8799   1.0938  394.899   50.754  366.809   58.000 28.08972 77.07101 
1 1 1   20   44   20 o  444.586   37.352   5.5953   0.8476   4.7633   1.1557   6.5639   1.2470  407.011   55.229  482.162   50.302 -75.15149 74.70354 
1 1 1   20   44   22 o  196.236   37.063   0.8517   0.4543   2.2534   0.7390   0.0000   0.5760  276.238   53.972  116.234   50.812 160.0041 74.12673 
1 1 1   20   44   24 o  179.526   40.775   0.9339   0.4385   1.3007   0.6470   0.6223   0.5964  205.612   58.441  153.440   56.878 52.17207 81.55032 
1 1 1   20   45    1 o  392.470   39.258   4.3222   0.7921   4.3101   1.1243   4.3341   1.1162  391.745   55.822  393.195   55.215 -1.450806 78.51643 
1 1 1   20   45    3 o  233.574   42.899   1.5745   0.5200   1.9747   0.7944   1.2745   0.6879  258.774   60.751  208.373   60.586 50.40099 85.79815 
1 1 1   20   45    5 o  157.266   38.650   0.6534   0.3836   0.5687   0.5716   0.7228   0.5174  152.265   55.815  162.267   53.478 -10.00259 77.29927 
1 1 1   20   45    7 f  540.625   61.965   10.384   1.3585   6.8325   2.5630   11.772   1.6020  427.171  114.409  654.079   47.639 -226.9081 123.9308 
1 1 1   20   45    9 o  228.838   40.976   1.5396   0.4944   2.0119   0.7091   1.0931   0.6896  263.866   54.088  193.809   61.568 70.05774 81.95206 
1 1 1   20   45   11 o  497.772   35.479   6.9119   0.9051   7.1023   1.2450   6.6985   1.3182  506.839   47.778  488.705   52.464 18.13412 70.95858 
1 1 1   20   45   13 o  137.205   39.737   0.1831   0.4109   0.0000   0.4846   0.6516   0.7751  108.490   47.024  165.921   64.070 -57.43124 79.47454 
1 1 1   20   45   15 o  538.032   34.699   8.2022   0.9369   6.3833   1.3366   9.9593   1.3137  473.005   54.962  603.058   42.370 -130.0530 69.39748 
1 1 1   20   45   17 o  276.630   38.894   2.2541   0.5334   2.1559   0.7644   2.3473   0.7445  269.375   56.977  283.886   52.959 -14.51105 77.78863 
1 1 1   20   45   19 o  230.157   44.009   1.6304   0.5413   1.9966   0.7767   1.2845   0.7547  256.083   60.039  204.231   64.363 51.85234 88.01868 
1 1 1   20   45   21 o  624.662   36.236   11.155   1.1589   10.642   1.5573   11.791   1.7349  610.721   49.597  638.604   52.842 -27.88245 72.47138 
1 1 1   20   46    0 o  294.730   60.340   2.3153   0.9006   0.9084   1.0614   5.9328   1.7019  150.298   86.274  439.161   84.384 -0.000000 0.000000 
1 1 1   20   46    2 o  804.898   37.403   18.190   1.5452   17.996   2.2408   18.365   2.1337  798.644   54.572  811.151   51.165 -12.50714 74.80630 
1 1 1   20   46    4 o  668.312   38.997   12.803   1.3149   10.635   1.9096   14.758   1.8132  606.639   61.229  729.986   48.314 -123.3464 77.99455 
1 1 1   20   46    6 o  466.760   38.814   6.1933   0.9252   5.8804   1.3629   6.4606   1.2599  452.824   58.543  480.696   50.979 -27.87186 77.62837 
1 1 1   20   46    8 o  404.565   40.379   4.6482   0.8307   4.9176   1.2839   4.4541   1.0896  411.977   60.615  397.154   53.362 14.82321 80.75708 
1 1 1   20   46   10 o  217.507   50.308   1.2306   0.5450   1.0482   0.6076   1.9820   1.2331  188.915   57.450  246.099   82.603 -57.18344 100.6164 
1 1 1   20   46   12 o  371.187   61.709   4.9250   1.0870   5.2382   1.2581   4.0028   2.1587  425.993   57.445  316.380  109.234 109.6130 123.4176 
1 1 1   20   46   14 o  293.681   37.778   2.4981   0.5571   2.3595   0.7995   2.6289   0.7767  281.847   57.129  305.516   49.447 -23.66870 75.55641 
1 1 1   20   46   16 o  181.540   37.703   0.9512   0.3887   1.3151   0.5644   0.6230   0.5361  210.731   52.335  152.350   54.289 58.38046 75.40687 
1 1 1   20   46   18 o  159.378   40.700   0.6826   0.4075   0.7116   0.7303   0.6694   0.4910  164.561   62.525  154.194   52.121 10.36699 81.40009 
1 1 1   20   47    1 o  401.486   39.308   4.6113   0.8099   4.4115   1.1588   4.8020   1.1325  391.512   57.572  411.459   53.534 -19.94696 78.61552 
1 1 1   20   47    3 o  562.290   54.209   9.2678   1.3884   8.5790   1.6112   11.254   2.7362  545.923   57.406  578.657   91.973 -32.73438 108.4182 
1 1 1   20   47    5 o  181.320   42.855   0.9506   0.4679   0.9273   0.7078   0.9686   0.6235  180.374   62.535  182.266   58.615 -1.891830 85.71085 
1 1 1   20   47    7 o  156.367   38.163   0.6102   0.3816   0.9709   0.5838   0.3411   0.5043  182.044   56.485  130.689   51.333 51.35446 76.32619 
1 1 1   20   47    9 o  217.045   53.318   1.3196   0.6696   1.0525   0.7884   2.0111   1.2685  189.366   65.979  244.725   83.773 -55.35898 106.6358 
1 1 1   20   47   11 o  327.247   43.577   3.1889   0.7073   4.5348   1.0529   2.0818   0.9549  399.341   51.284  255.153   70.467 144.1879 87.15315 
1 1 1   20   47   13 f  478.879   33.918   6.4322   0.8310   7.3635   1.2201   5.6265   1.1349  512.480   46.306  445.279   49.574 67.20023 67.83677 
1 1 1   20   47   15 o  134.409   35.807   0.4024   0.3364   0.6058   0.5217   0.2577   0.4401  149.817   53.537  119.000   47.565 30.81709 71.61429 
1 1 1   20   48    0 o  186.180   54.808   1.4508   0.7156   2.2275   0.8868   0.0000   1.2119  254.978   77.488  117.383   77.534 -0.000000 0.000000 
1 1 1   20   48    2 o  497.101   38.523   7.1090   0.9823   7.1102   1.4358   7.1079   1.3467  495.255   56.389  498.948   52.500 -3.692993 77.04541 
1 1 1   20   48    4 o  138.245   36.438   0.4543   0.3583   0.1947   0.5604   0.6338   0.4659  125.305   52.275  151.185   50.775 -25.88020 72.87517 
1 1 1   20   48    6 o  431.449   58.308   5.6889   1.1195   5.1381   1.2942   7.3254   2.2308  416.702   60.410  446.195   99.750 -29.49252 116.6161 
1 1 1   20   48    8 f  460.179   66.522   8.6152   1.4014   9.8231   1.6461   5.4345   2.6712  581.827   55.030  338.530  121.129 243.2964 133.0434 
1 1 1   20   48   10 o  143.090   36.990   0.5139   0.3635   0.3113   0.5256   0.6996   0.5033  129.130   51.850  157.050   52.770 -27.92096 73.98025 
1 1 1   20   48   12 o  266.506   40.975   2.1695   0.5747   1.2102   0.7966   3.2110   0.8300  196.970   66.390  336.042   48.041 -139.0726 81.94915 
1 1 1   20   49    1 o  327.031   43.217   3.2709   0.7042   2.7328   1.0108   3.7784   0.9816  292.538   68.425  361.524   52.811 -68.98627 86.43492 
1 1 1   20   49    3 o  333.644   60.422   3.6551   0.9304   3.3699   1.0652   4.5734   1.9113  328.523   65.364  338.765  101.640 -10.24207 120.8433 
1 1 1   20   49    5 o  194.719   47.489   1.2185   0.6457   1.6653   0.7549   0.0000   1.2465  230.546   62.235  158.892   71.747 71.65421 94.97752 
1 1 1   21    0    1 o  411.578   64.816   5.1989   1.1607   3.2542   1.6315   7.1914   1.6515  307.077  112.130  516.080   65.050 0.000000 0.000000 
1 1 1   21    0    3 o  524.836   74.471   7.5295   1.8926   7.5295   1.8926   0.0000   0.0000  524.836   74.471  524.836   74.471 -0.000000 0.000000 
1 1 1   21    0    5 o  947.133   64.592   23.470   3.1117   0.0000   0.0000   23.470   3.1117  947.133   64.592  947.133   64.592 0.000000 0.000000 
1 1 1   21    0    7 o  1929.98   47.192   97.358   4.5625  100.836   5.9205   92.272   7.1591  1974.71   58.431  1885.25   74.123 -0.000000 0.000000 
1 1 1   21    0    9 o  1539.95   45.013   61.130   3.4701   59.726   4.4381   63.338   5.5663  1518.61   57.027  1561.28   69.661 -0.000000 0.000000 
1 1 1   21    0   11 f  920.066   44.911   22.236   2.0505   21.806   3.2522   22.519   2.6418  910.638   70.434  929.494   55.741 0.000000 0.000000 
1 1 1   21    0   13 o  850.568   45.977   19.520   1.9136   21.667   2.5081   16.530   2.9603  911.890   53.930  789.247   74.479 -0.000000 0.000000 
1 1 1   21    0   15 o  1724.41   42.139   77.249   3.6939   75.275   5.5594   78.810   4.9428  1703.62   63.674  1745.20   55.213 0.000000 0.000000 
1 1 1   21    0   17 o  162.799   52.888   0.9972   0.4839   0.9944   0.6612   1.0005   0.7101  162.965   73.520  162.633   76.048 -0.000000 0.000000 
1 1 1   21    0   19 o  1097.05   59.386   31.361   3.3271   31.361   3.3271   0.0000   0.0000  1097.05   59.386  1097.05   59.386 0.000000 0.000000 
1 1 1   21    0   21 o  407.455   64.267   4.5978   1.2461   4.5978   1.2461   0.0000   0.0000  407.455   64.267  407.455   64.267 -0.000000 0.000000 
1 1 1   21    0   23 o  196.867   55.696   1.3990   0.5541   1.5463   0.7596   1.2315   0.8100  212.656   76.066  181.078   81.376 -0.000000 0.000000 
1 1 1   21    0   25 o  752.211   41.593   14.922   1.5855   14.498   2.2320   15.354   2.2525  741.019   59.467  763.403   58.168 0.000000 0.000000 
1 1 1   21    0   27 o  1099.10   41.433   31.682   2.3200   29.498   3.3050   33.803   3.2575  1060.53   61.078  1137.68   56.001 -0.000000 0.000000 
1 1 1   21    0   29 o  480.586   47.686   6.3910   1.0929   5.5464   1.5475   7.2317   1.5438  443.867   73.994  517.304   60.171 0.000000 0.000000 
1 1 1   21    0   31 o  437.824   49.323   5.3697   1.0255   5.2372   1.4427   5.5051   1.4579  431.504   70.744  444.145   68.749 -0.000000 0.000000 
1 1 1   21    0   33 o  148.141   74.176   0.8515   0.6910   0.0000   0.0000   0.8515   0.6910  148.141   74.176  148.141   74.176 0.000000 0.000000 
1 1 1   21    0   35 o  323.221   56.152   3.2374   0.8068   2.7048   1.1504   3.7529   1.1318  285.732   89.286  360.710   68.119 -0.000000 0.000000 
1 1 1   21    0   37 f   84.709   37.107   0.1261   0.3260   0.0000   0.4753   0.2380   0.4480   78.283   50.566   91.136   54.322 0.000000 0.000000 
1 1 1   21    0   39 o  320.375   55.437   3.1713   0.7909   3.9248   1.1564   2.5089   1.0842  368.293   67.860  272.457   87.683 0.000000 0.000000 
1 1 1   21    0   41 o  279.415   58.918   2.5957   0.7491   3.0942   1.0662   2.1099   1.0526  318.003   75.096  240.828   90.806 0.000000 0.000000 
1 1 1   21    0   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   45 o  235.829   84.484   1.9891   0.9361   0.0000   0.0000   1.9891   0.9361  235.829   84.484  235.829   84.484 -0.000000 0.000000 
1 1 1   21    0   47 o  122.503   65.115   0.5947   0.5540   0.5947   0.5540   0.0000   0.0000  122.503   65.115  122.503   65.115 0.000000 0.000000 
1 1 1   21    0   49 o   69.675   45.161   0.0000   0.3836   0.0000   0.3836   0.0000   0.0000   69.675   45.161   69.675   45.161 0.000000 0.000000 
1 1 1   21    0   51 o   56.826   36.778   0.0000   0.2531   0.0000   0.2531   0.0000   0.0000   56.826   36.778   56.826   36.778 0.000000 0.000000 
1 1 1   21    1    0 o  393.945   54.938   4.2260   1.0508   4.2260   1.0508   0.0000   0.0000  393.945   54.938  393.945   54.938 0.000000 0.000000 
1 1 1   21    1    2 o  222.678   43.019   1.3957   0.5101   0.8526   0.8842   1.6667   0.6246  195.756   69.727  249.600   50.406 -53.84375 86.03827 
1 1 1   21    1    4 o  789.751   46.559   16.163   1.8902   16.316   2.6965   16.015   2.6505  793.406   66.106  786.095   65.581 7.311157 93.11783 
1 1 1   21    1    6 o  239.852   36.118   1.5419   0.4318   1.6471   0.6165   1.4405   0.6051  248.125   50.053  231.578   52.083 16.54639 72.23518 
1 1 1   21    1    8 o  1504.05   31.672   58.364   2.4487   59.506   3.4999   57.269   3.4272  1518.45   44.832  1489.64   44.750 28.81323 63.34369 
1 1 1   21    1   10 o  766.042   31.116   15.174   1.2221   13.889   1.7297   16.454   1.7267  733.475   45.870  798.609   42.056 -65.13397 62.23127 
1 1 1   21    1   12 o  1294.24   30.269   43.232   2.0139   43.653   2.8405   42.807   2.8558  1300.61   42.479  1287.87   43.131 12.74194 60.53717 
1 1 1   21    1   14 o  889.577   29.776   20.422   1.3617   20.129   1.9123   20.722   1.9395  883.118   42.119  896.036   42.101 -12.91803 59.55241 
1 1 1   21    1   16 o  411.021   30.376   4.3886   0.6368   4.9934   0.8968   3.7737   0.9043  439.888   39.654  382.154   46.024 57.73416 60.75117 
1 1 1   21    1   18 o  1155.62   36.492   35.285   2.0202   32.543   3.4996   36.655   2.4740  1119.69   60.792  1191.55   40.385 -71.85767 72.98415 
1 1 1   21    1   20 o  833.003   40.535   17.926   1.7360   17.926   1.7360   0.0000   0.0000  833.003   40.535  ?   ?       ?      ? 
1 1 1   21    1   22 o  715.924   36.022   13.559   1.2425   12.492   2.1278   14.111   1.5305  692.955   59.725  738.893   40.289 -45.93896 72.04303 
1 1 1   21    1   24 o  383.572   34.446   4.0429   0.6101   5.8071   0.8677   2.3179   0.8580  474.044   35.602  293.100   58.980 180.9439 68.89270 
1 1 1   21    1   26 o  898.463   28.841   20.929   1.3318   21.552   1.8875   20.312   1.8795  911.863   40.262  885.063   41.305 26.80035 57.68133 
1 1 1   21    1   28 f  606.722   29.419   9.5634   0.9177   9.5947   1.2998   9.5324   1.2957  607.710   41.602  605.734   41.606 1.975525 58.83701 
1 1 1   21    1   30 o  292.377   33.279   2.2796   0.4814   1.8238   0.6734   2.7560   0.6885  259.336   52.313  325.418   41.150 -66.08240 66.55825 
1 1 1   21    1   32 o  406.396   65.198   4.4043   1.3622   4.4043   1.3622   0.0000   0.0000  406.396   65.198  ?   ?       ?      ? 
1 1 1   21    1   34 o  303.826   33.987   2.4615   0.5165   2.1509   0.7178   2.7949   0.7437  281.273   51.535  326.378   44.324 -45.10526 67.97362 
1 1 1   21    1   36 o  527.694   30.617   7.3242   0.8302   7.6640   1.1846   6.9963   1.1638  539.890   42.678  515.498   43.911 24.39148 61.23349 
1 1 1   21    1   38 o  492.444   31.161   6.4130   0.7888   6.5425   1.1154   6.2835   1.1157  497.560   43.603  487.328   44.529 10.23215 62.32250 
1 1 1   21    1   40 o  307.191   36.076   2.6156   0.5410   3.3341   0.7649   1.8966   0.7652  354.901   41.919  259.481   58.726 95.41946 72.15228 
1 1 1   21    1   42 o  413.697   49.106   4.9046   1.0038   5.7848   1.4083   3.9957   1.4311  459.167   59.655  368.227   78.020 90.94019 98.21291 
1 1 1   21    1   44 o  268.919   48.569   2.1539   0.6840   2.5593   0.9292   1.6744   1.0106  298.573   62.539  239.265   74.327 59.30849 97.13747 
1 1 1   21    1   46 o  222.870   39.240   1.5550   0.4903   2.0719   0.6069   0.5839   0.8318  277.626   42.518  168.114   65.964 109.5120 78.47978 
1 1 1   21    1   48 f  299.403   50.327   2.7378   0.7628   2.7236   1.1044   2.7508   1.0549  297.599   72.783  301.208   69.527 -3.609131 100.6548 
1 1 1   21    1   50 o  217.488   44.911   1.4118   0.5525   0.9484   0.7663   1.9136   0.7975  183.373   64.954  251.604   62.041 -68.23082 89.82274 
1 1 1   21    1   52 o  227.184   68.099   1.6490   0.8583   1.6490   0.8583   0.0000   0.0000  227.184   68.099  ?   ?       ?      ? 
1 1 1   21    2    1 o  1138.62   42.778   33.560   2.3590   33.548   4.0892   33.566   2.8880  1137.16   69.944  1140.09   49.271 -2.935181 85.55547 
1 1 1   21    2    3 o  1121.04   47.636   32.597   2.7442   32.014   3.9195   33.158   3.8433  1111.01   68.619  1131.07   66.091 -20.05249 95.27103 
1 1 1   21    2    5 o  942.449   45.089   23.055   2.1776   22.394   3.1844   23.635   2.9845  929.411   66.642  955.487   60.754 -26.07660 90.17879 
1 1 1   21    2    7 o  1835.10   32.210   86.836   3.0372   89.403   4.3860   84.472   4.2100  1861.08   45.839  1809.12   45.263 51.95447 64.42022 
1 1 1   21    2    9 o  471.476   31.985   5.7714   0.7696   5.0090   1.0950   6.5157   1.0819  440.386   48.362  502.566   41.872 -62.18008 63.97020 
1 1 1   21    2   11 o  1281.19   30.551   42.363   2.0122   43.130   2.8488   41.600   2.8424  1292.80   42.862  1269.58   43.547 23.22058 61.10186 
1 1 1   21    2   13 o  181.259   33.919   0.8787   0.3259   0.6705   0.4629   1.0832   0.4589  161.657   50.320  200.861   45.495 -39.20374 67.83781 
1 1 1   21    2   15 o  2221.93   29.329  127.386   3.3496  125.538   4.6738  129.337   4.8029  2205.43   41.220  2238.44   41.734 -33.01147 58.65812 
1 1 1   21    2   17 o  1189.79   36.343   36.960   2.0874   35.673   3.6086   37.607   2.5590  1172.68   59.853  1206.91   41.241 -34.23669 72.68594 
1 1 1   21    2   19 o  1028.10   36.280   28.582   1.7699   30.937   2.1793   24.020   3.0335  1094.70   38.721  961.503   61.366 133.1982 72.56064 
1 1 1   21    2   21 o  757.588   41.369   14.937   1.6082   15.436   2.2312   14.399   2.3201  771.061   56.283  744.114   60.645 26.94666 82.73785 
1 1 1   21    2   23 o  1906.68   28.468   94.012   2.7903   93.169   3.9122   94.885   3.9809  1898.03   40.092  1915.34   40.427 -17.30994 56.93550 
1 1 1   21    2   25 o  1178.98   34.960   35.860   2.0071   37.004   3.4665   35.284   2.4618  1190.95   56.614  1167.01   41.031 23.93726 69.91908 
1 1 1   21    2   27 o  710.227   29.115   13.091   1.0626   13.635   1.5107   12.559   1.4950  724.928   40.533  695.527   41.807 29.40100 58.22982 
1 1 1   21    2   29 o  341.522   31.571   3.0406   0.5523   3.3805   0.7894   2.7147   0.7730  360.433   42.598  322.610   46.606 37.82272 63.14106 
1 1 1   21    2   31 o  330.649   47.190   3.0092   0.7745   2.6834   1.0889   3.3427   1.1017  311.293   69.767  350.005   63.563 -38.71237 94.38030 
1 1 1   21    2   33 o  860.271   42.385   19.694   1.8719   21.011   2.6590   18.401   2.6356  889.645   58.135  830.898   61.696 58.74707 84.77065 
1 1 1   21    2   35 o  237.749   34.730   1.5412   0.4181   1.1045   0.5898   1.9822   0.5927  200.593   55.373  274.906   41.934 -74.31288 69.45905 
1 1 1   21    2   37 o  458.674   31.670   5.5644   0.7402   4.6609   1.0307   6.5270   1.0638  419.304   47.810  498.045   41.546 -78.74088 63.33931 
1 1 1   21    2   39 o  241.758   36.034   1.6000   0.4429   1.9704   0.6328   1.2445   0.6200  272.474   45.172  211.043   56.155 61.43086 72.06859 
1 1 1   21    2   41 o  612.196   38.569   10.032   1.1419   9.8029   1.3914   10.504   1.9984  606.778   44.603  617.614   62.935 -10.83673 77.13763 
1 1 1   21    2   43 o  581.771   43.683   9.0356   1.3066   9.0356   1.3066   0.0000   0.0000  581.771   43.683  ?   ?       ?      ? 
1 1 1   21    2   45 o  473.411   36.610   5.7257   0.8588   4.6776   1.0563   7.7690   1.4749  414.849   49.527  531.973   53.928 -117.1241 73.22041 
1 1 1   21    2   47 o  324.965   41.165   3.0065   0.6317   3.0067   0.7758   3.0059   1.0883  332.686   45.357  317.245   68.710 15.44061 82.33054 
1 1 1   21    2   49 o  349.848   49.057   3.6944   0.8627   2.7754   1.1923   4.7043   1.2499  295.214   77.551  404.482   60.103 -109.2675 98.11453 
1 1 1   21    2   51 o  195.019   41.222   1.1571   0.4349   1.2364   0.5235   0.9805   0.7812  205.676   49.996  184.362   65.554 21.31367 82.44356 
1 1 1   21    3    0 o  2021.31   70.796  105.909   7.3367   0.0000   0.0000  105.909   7.3367  2021.31   70.796  2021.31   70.796 -0.000000 0.000000 
1 1 1   21    3    2 o  1492.19   49.160   57.771   3.7709   58.741   5.3238   56.793   5.3419  1504.92   68.808  1479.47   70.229 25.44312 98.31966 
1 1 1   21    3    4 o  2489.07   67.121  160.634   8.5895  160.634   8.5895   0.0000   0.0000  2489.07   67.121  ?   ?       ?      ? 
1 1 1   21    3    6 o  1127.44   39.079   33.022   2.1261   32.423   3.6953   33.319   2.5994  1118.59   64.255  1136.30   44.496 -17.70776 78.15761 
1 1 1   21    3    8 o  1058.15   37.636   29.161   1.9404   28.258   3.2966   29.640   2.4003  1044.55   61.386  1071.76   43.561 -27.20862 75.27148 
1 1 1   21    3   10 o  815.867   30.984   17.176   1.2995   17.521   1.8521   16.841   1.8238  823.957   43.721  807.777   43.915 16.18042 61.96808 
1 1 1   21    3   12 o  431.136   31.050   4.8043   0.6863   5.2449   0.9749   4.3713   0.9664  450.835   42.060  411.437   45.687 39.39804 62.09935 
1 1 1   21    3   14 o  1054.98   29.765   28.729   1.6137   28.777   2.2489   28.678   2.3168  1055.96   41.424  1054.00   42.754 1.960083 59.53032 
1 1 1   21    3   16 f  1794.38   36.206   83.473   3.1549   82.795   5.4293   83.818   3.8765  1786.94   59.097  1801.81   41.846 -14.86743 72.41268 
1 1 1   21    3   18 o  2304.15   34.813  138.773   3.8759  141.620   4.7596  133.168   6.6778  2342.24   39.525  2266.05   57.319 76.18628 69.62508 
1 1 1   21    3   20 o  167.100   33.057   0.7500   0.3039   0.9568   0.4108   0.4998   0.4518  188.661   43.271  145.539   49.988 43.12247 66.11501 
1 1 1   21    3   22 o  858.041   42.101   19.338   1.8378   21.912   2.5552   16.580   2.6453  918.656   54.100  797.426   64.523 121.2294 84.20231 
1 1 1   21    3   24 o  1058.72   28.693   29.004   1.5615   28.432   2.1828   29.604   2.2348  1048.05   40.509  1069.40   40.647 -21.34595 57.38646 
1 1 1   21    3   26 o  502.927   29.877   6.5684   0.7714   6.9848   1.0915   6.1529   1.0902  519.010   40.907  486.845   43.557 32.16486 59.75439 
1 1 1   21    3   28 o  606.419   29.681   9.5722   0.9229   10.385   1.3067   8.7634   1.3037  632.412   40.189  580.425   43.689 51.98761 59.36229 
1 1 1   21    3   30 o  410.096   35.273   4.0451   0.7081   5.6806   1.2603   3.2907   0.8560  465.304   52.684  354.889   46.917 110.4144 70.54628 
1 1 1   21    3   32 o  308.631   33.649   2.5444   0.5109   1.9511   0.7081   3.1886   0.7378  267.685   53.327  349.577   41.053 -81.89154 67.29870 
1 1 1   21    3   34 o  895.329   38.221   22.062   1.6265   18.892   2.7835   23.705   2.0043  838.848   64.542  951.811   40.959 -112.9629 76.44156 
1 1 1   21    3   36 o  277.259   33.836   2.0610   0.4729   2.0672   0.6725   2.0549   0.6652  275.564   49.280  278.954   46.379 -3.390045 67.67228 
1 1 1   21    3   38 o  358.191   47.265   4.1785   0.7539   5.0883   0.9123   2.2195   1.3387  439.604   40.367  276.778   85.478 162.8267 94.53008 
1 1 1   21    3   40 o  243.708   43.546   1.6368   0.5181   1.5547   0.6264   1.8146   0.9219  236.065   52.922  251.351   69.168 -15.28572 87.09150 
1 1 1   21    3   42 o  398.967   65.473   4.4260   1.3430   4.4260   1.3430   0.0000   0.0000  398.967   65.473  ?   ?       ?      ? 
1 1 1   21    3   44 o  147.925   37.260   0.4619   0.3912   0.8628   0.5346   0.0000   0.5738  176.602   53.928  119.247   51.429 57.35569 74.51966 
1 1 1   21    3   46 o  202.750   39.723   1.0985   0.4103   0.9107   0.5005   1.4831   0.7163  179.688   51.514  225.813   60.482 -46.12558 79.44691 
1 1 1   21    3   48 o  514.455   37.914   6.7998   0.9561   5.4973   1.1577   9.5932   1.6954  445.554   50.539  583.357   56.529 -137.8033 75.82744 
1 1 1   21    3   50 o  320.800   36.169   2.4783   0.5232   2.0805   0.5933   3.8700   1.1097  275.910   41.823  365.690   59.022 -89.77954 72.33743 
1 1 1   21    3   52 f  170.512   49.868   0.8520   0.4648   0.8520   0.4648   0.0000   0.0000  170.512   49.868  ?   ?       ?      ? 
1 1 1   21    4    1 o  1330.97   49.919   45.985   3.4134   43.845   4.8160   48.144   4.8385  1299.59   72.079  1362.35   69.081 -62.76062 99.83730 
1 1 1   21    4    3 o  1380.68   68.831   49.447   4.8859   49.447   4.8859   0.0000   0.0000  1380.68   68.831  ?   ?       ?      ? 
1 1 1   21    4    5 o  647.751   66.538   10.878   2.2159   10.878   2.2159   0.0000   0.0000  647.751   66.538  ?   ?       ?      ? 
1 1 1   21    4    7 o  898.634   48.387   21.054   2.2082   21.669   2.9294   20.245   3.3606  914.608   62.297  882.660   74.056 31.94800 96.77396 
1 1 1   21    4    9 o  1190.85   36.751   36.384   2.1516   37.585   3.6444   35.741   2.6659  1204.91   58.830  1176.80   44.062 28.10681 73.50152 
1 1 1   21    4   11 o  1448.83   30.623   54.180   2.2806   55.523   3.2313   52.847   3.2192  1466.79   42.849  1430.87   43.761 35.91199 61.24572 
1 1 1   21    4   13 f  2159.50   29.895  120.308   3.3179  118.517   4.6172  122.220   4.7710  2142.97   41.908  2176.04   42.645 -33.07251 59.79014 
1 1 1   21    4   15 o  1178.21   36.098   35.502   2.0842   37.251   3.5678   34.596   2.5679  1198.93   57.881  1157.49   43.151 41.44116 72.19538 
1 1 1   21    4   17 o  731.599   34.937   13.894   1.2406   13.994   1.5249   13.698   2.1337  736.281   40.282  726.917   57.094 9.363403 69.87371 
1 1 1   21    4   19 o  884.918   28.905   20.221   1.3139   20.047   1.8168   20.411   1.9024  881.013   40.111  888.822   41.632 -7.808167 57.81097 
1 1 1   21    4   21 o  510.064   29.480   6.7270   0.7722   6.7709   1.0695   6.6792   1.1163  511.873   40.638  508.255   42.720 3.617432 58.96085 
1 1 1   21    4   23 o  1159.43   34.998   34.475   1.9872   36.233   3.4069   33.568   2.4465  1180.00   56.157  1138.86   41.783 41.13916 69.99578 
1 1 1   21    4   25 o  524.620   29.546   7.1384   0.7964   7.3591   1.1199   6.9126   1.1328  532.921   40.874  516.318   42.674 16.60297 59.09141 
1 1 1   21    4   27 o  906.661   29.120   21.366   1.3552   22.659   1.9109   20.059   1.9222  934.575   39.771  878.747   42.546 55.82800 58.24001 
1 1 1   21    4   29 o  291.335   40.985   2.3886   0.5680   1.9239   0.9625   2.6369   0.7036  264.417   69.785  318.252   43.003 -53.83527 81.97040 
1 1 1   21    4   31 o  1050.33   36.606   29.497   1.8450   30.512   2.2623   27.483   3.1880  1082.12   40.664  1018.54   60.880 63.57391 73.21105 
1 1 1   21    4   33 o  585.446   35.731   8.7041   1.0248   8.0142   1.2501   10.118   1.7895  553.112   43.960  617.779   56.340 -64.66644 71.46119 
1 1 1   21    4   35 o  556.527   43.107   8.3231   1.2311   8.7461   1.7238   7.8827   1.7587  571.857   58.632  541.197   63.208 30.65967 86.21479 
1 1 1   21    4   37 o  615.508   43.130   9.9905   1.3648   9.9905   1.3648   0.0000   0.0000  615.508   43.130  ?   ?       ?      ? 
1 1 1   21    4   39 o  971.219   37.469   25.183   1.7562   24.877   2.1404   25.813   3.0721  969.460   42.943  972.979   61.413 -3.519897 74.93823 
1 1 1   21    4   41 o  248.136   66.588   1.7693   0.8672   1.7693   0.8672   0.0000   0.0000  248.136   66.588  ?   ?       ?      ? 
1 1 1   21    4   43 o  304.418   41.130   2.4727   0.5896   2.1864   0.7141   3.0862   1.0453  280.402   51.427  328.435   64.203 -48.03287 82.26046 
1 1 1   21    4   45 o  371.812   47.180   3.9764   0.8819   3.8437   1.2644   4.1023   1.2307  361.490   70.565  382.133   62.644 -20.64249 94.35947 
1 1 1   21    4   47 o  276.738   38.328   2.0363   0.4669   1.9067   0.5358   2.4455   0.9521  266.717   39.071  286.759   65.952 -20.04141 76.65671 
1 1 1   21    4   49 o  186.343   38.357   1.0573   0.3994   1.2629   0.4874   0.6371   0.6970  210.694   46.265  161.991   61.193 48.70363 76.71445 
1 1 1   21    4   51 o   94.871   37.296   0.1572   0.2664   0.1572   0.2664   0.0000   0.0000   94.871   37.296  ?   ?       ?      ? 
1 1 1   21    5    0 o  807.879   50.822   17.017   2.0918   17.017   2.0918   0.0000   0.0000  807.879   50.822  807.879   50.822 0.000000 0.000000 
1 1 1   21    5    2 o  1231.35   41.565   38.214   2.4849   42.314   4.3874   36.278   3.0152  1277.53   66.798  1185.17   49.483 92.35425 83.13012 
1 1 1   21    5    4 o  970.499   44.869   24.235   2.2246   25.826   3.3788   23.018   2.9557  998.133   65.842  942.865   60.973 55.26843 89.73795 
1 1 1   21    5    6 f  824.920   39.045   17.469   1.5348   17.943   2.7626   17.258   1.8458  832.045   64.581  817.795   43.901 14.25079 78.08971 
1 1 1   21    5    8 o  516.802   41.860   6.7030   1.0238   6.3944   1.2154   7.4567   1.8997  497.606   47.508  535.998   68.936 -38.39249 83.72050 
1 1 1   21    5   10 o  1827.50   36.605   86.094   3.2859   87.177   5.5499   85.509   4.0773  1834.82   58.833  1820.18   43.570 14.64172 73.20983 
1 1 1   21    5   12 o  631.948   37.635   9.9814   1.1581   11.408   2.0449   9.3077   1.4052  663.541   59.942  600.356   45.525 63.18475 75.26959 
1 1 1   21    5   14 o  878.669   40.799   19.959   1.8405   20.805   2.6916   19.216   2.5222  896.035   58.428  861.302   56.959 34.73260 81.59759 
1 1 1   21    5   16 o  208.059   37.466   1.1350   0.3945   1.0215   0.5037   1.3153   0.6345  195.041   49.995  221.078   55.816 -26.03697 74.93292 
1 1 1   21    5   18 o  1025.55   28.992   27.142   1.5258   26.826   2.0896   27.502   2.2332  1019.29   39.875  1031.80   42.098 -12.50763 57.98448 
1 1 1   21    5   20 o  570.687   29.371   8.3841   0.8601   7.8438   1.1740   9.0102   1.2636  550.922   41.448  590.452   41.625 -39.53033 58.74139 
1 1 1   21    5   22 o  1253.63   36.763   41.191   2.1686   41.809   2.6009   39.782   3.9280  1271.70   39.780  1235.56   61.836 36.14038 73.52603 
1 1 1   21    5   24 o  333.166   43.598   3.4190   0.6646   1.7709   1.1176   4.3209   0.8267  257.743   77.809  408.589   39.356 -150.8465 87.19580 
1 1 1   21    5   26 o  500.099   29.886   6.4910   0.7680   6.2332   1.0809   6.7538   1.0915  489.999   42.908  510.200   41.612 -20.20175 59.77150 
1 1 1   21    5   28 o  364.556   43.002   3.9168   0.7005   2.6663   1.2060   4.5537   0.8606  310.371   76.148  418.741   39.977 -108.3700 86.00385 
1 1 1   21    5   30 o  349.121   35.542   2.9548   0.6102   2.4139   0.7420   4.0845   1.0723  303.827   47.501  394.415   52.882 -90.58853 71.08302 
1 1 1   21    5   32 o  466.144   37.577   5.6732   0.8455   5.5661   1.0279   5.8971   1.4866  461.380   43.333  470.909   61.404 -9.528259 75.15451 
1 1 1   21    5   34 o  410.182   39.155   4.5129   0.7649   4.5906   0.9280   4.3481   1.3507  418.355   43.145  402.008   65.353 16.34766 78.31058 
1 1 1   21    5   36 o  263.811   42.467   1.8559   0.5268   1.7241   0.6285   2.1672   0.9661  250.725   50.500  276.898   68.289 -26.17235 84.93330 
1 1 1   21    5   38 o  307.260   45.745   2.9978   0.6473   3.4884   0.7656   1.7676   1.2123  363.786   40.935  250.733   81.821 113.0538 91.48939 
1 1 1   21    5   40 o  471.037   44.720   6.1098   1.0803   6.3781   1.5018   5.8221   1.5552  483.083   60.466  458.991   65.905 24.09201 89.44054 
1 1 1   21    5   42 o  459.701   43.713   6.2328   0.8900   6.8209   1.0793   4.9835   1.5732  506.787   41.424  412.615   76.990 94.17175 87.42606 
1 1 1   21    5   44 o  301.623   36.913   2.3508   0.4974   2.1636   0.5762   2.8982   0.9854  285.298   39.281  317.949   62.509 -32.65088 73.82616 
1 1 1   21    5   46 o  277.207   37.481   1.9094   0.4616   1.6589   0.5280   2.7207   0.9503  248.587   41.314  305.828   62.550 -57.24136 74.96259 
1 1 1   21    5   48 o  225.799   38.515   1.4280   0.4008   1.3773   0.4648   1.5749   0.7911  222.296   42.216  229.302   64.432 -7.006317 77.03046 
1 1 1   21    5   50 o  266.778   46.215   2.0258   0.5797   1.7974   0.6816   2.6231   1.1023  247.057   55.069  286.499   74.233 -39.44295 92.42919 
1 1 1   21    5   52 o  380.733   40.213   4.2099   0.6546   4.1357   0.7557   4.4328   1.3102  388.897   37.796  372.568   70.992 16.32932 80.42666 
1 1 1   21    6    1 o  1677.88   34.883   72.757   3.0071   70.151   4.2714   75.317   4.2344  1647.90   50.416  1707.85   48.224 -59.95020 69.76624 
1 1 1   21    6    3 o  926.494   46.625   22.377   2.1974   21.315   3.3131   23.210   2.9361  906.126   71.117  946.862   60.314 -40.73633 93.24959 
1 1 1   21    6    5 o  2278.52   43.286  133.926   4.9826  137.235   7.8510  131.694   6.4475  2300.52   66.378  2256.52   55.576 44.00171 86.57211 
1 1 1   21    6    7 o  1083.41   32.124   30.187   1.7843   31.755   2.6463   28.879   2.4162  1109.01   46.412  1057.80   44.428 51.20813 64.24895 
1 1 1   21    6    9 o  1477.27   42.838   56.736   2.9369   57.011   3.4788   56.054   5.4794  1485.99   45.535  1468.55   72.573 17.43994 85.67515 
1 1 1   21    6   11 o  1119.85   71.484   32.598   4.1156   0.0000   0.0000   32.598   4.1156  ?   ?   1119.85   71.484      ?      ? 
1 1 1   21    6   13 o  464.592   41.426   5.5991   0.9861   5.5105   1.4495   5.6755   1.3454  461.000   61.158  468.185   55.896 -7.184875 82.85268 
1 1 1   21    6   15 o  612.215   30.252   9.7294   0.9463   10.273   1.2927   9.1020   1.3891  630.911   39.853  593.519   45.524 37.39240 60.50422 
1 1 1   21    6   17 o  673.584   29.436   11.729   1.0162   11.870   1.3880   11.566   1.4917  678.093   39.815  669.075   43.366 9.017273 58.87149 
1 1 1   21    6   19 o  522.388   29.473   7.0267   0.7899   6.6803   1.0749   7.4333   1.1646  508.479   41.118  536.297   42.236 -27.81842 58.94537 
1 1 1   21    6   21 o  507.031   29.938   6.6170   0.7784   6.0321   1.0627   7.2942   1.1434  482.934   42.801  531.129   41.872 -48.19574 59.87616 
1 1 1   21    6   23 o  695.016   37.254   12.535   1.2191   12.499   1.4562   12.619   2.2290  694.920   40.758  695.111   62.372 -0.1909790 74.50845 
1 1 1   21    6   25 o  169.841   34.723   0.7670   0.3210   0.8279   0.4479   0.7025   0.4604  175.685   48.158  163.997   50.036 11.68814 69.44664 
1 1 1   21    6   27 o  890.751   29.180   20.656   1.3327   22.063   1.8676   19.196   1.9025  922.141   39.392  859.362   43.060 62.77869 58.36029 
1 1 1   21    6   29 o  220.128   48.692   1.3149   0.5365   1.3149   0.5365   0.0000   0.0000  220.128   48.692  ?   ?       ?      ? 
1 1 1   21    6   31 o  591.014   37.577   9.2077   1.0568   9.2298   1.2754   9.1591   1.8875  594.817   41.705  587.211   62.521 7.606079 75.15472 
1 1 1   21    6   33 o  127.613   33.258   0.1882   0.2755   0.0000   0.3236   0.6834   0.5250   91.525   39.027  163.702   53.863 -72.17632 66.51545 
1 1 1   21    6   35 o  602.462   44.094   9.8240   1.3490   11.595   1.9168   8.0865   1.8988  658.961   56.579  545.963   67.646 112.9988 88.18848 
1 1 1   21    6   37 o  426.896   38.017   4.8369   0.7826   4.7602   0.9521   4.9968   1.3743  424.605   43.613  429.186   62.282 -4.580841 76.03405 
1 1 1   21    6   39 o  351.364   44.272   3.6331   0.7105   4.0032   0.8680   2.8815   1.2369  388.649   43.440  314.080   77.155 74.56927 88.54321 
1 1 1   21    6   41 o  467.933   36.333   5.7655   0.8741   5.7655   0.8741   0.0000   0.0000  467.933   36.333  ?   ?       ?      ? 
1 1 1   21    6   43 o  278.911   41.385   2.5508   0.5092   2.9171   0.5866   1.4306   1.0257  332.829   34.279  224.993   75.339 107.8357 82.77067 
1 1 1   21    6   45 o  192.470   39.329   1.1124   0.4236   1.3533   0.5131   0.5971   0.7505  219.957   46.807  164.982   63.216 54.97467 78.65847 
1 1 1   21    6   47 o  390.706   37.291   4.0243   0.6460   3.8232   0.7388   4.6770   1.3310  377.927   38.023  403.485   64.162 -25.55737 74.58261 
1 1 1   21    6   49 o  477.066   39.216   6.2667   0.9177   5.8269   1.1254   7.1395   1.5854  458.699   47.722  495.433   62.242 -36.73404 78.43102 
1 1 1   21    6   51 o  256.853   39.567   1.8045   0.5225   1.8045   0.5225   0.0000   0.0000  256.853   39.567  ?   ?       ?      ? 
1 1 1   21    7    0 o  416.240   54.718   4.6912   1.1148   4.6912   1.1148   0.0000   0.0000  416.240   54.718  416.240   54.718 0.000000 0.000000 
1 1 1   21    7    2 o  471.664   47.762   6.1795   1.0004   5.1056   1.8064   6.6546   1.2015  435.592   83.703  507.737   46.027 -72.14456 95.52331 
1 1 1   21    7    4 o  1012.39   43.550   26.254   2.2308   28.147   3.5291   24.994   2.8789  1041.90   65.882  982.873   56.972 59.03143 87.09933 
1 1 1   21    7    6 o  1987.72   39.126  101.263   3.6833  104.613   6.7127   99.820   4.4058  2008.69   65.000  1966.76   43.571 41.92871 78.25279 
1 1 1   21    7    8 o  173.569   37.233   0.8257   0.3843   0.1794   0.7007   1.1038   0.4596  144.320   59.157  202.819   45.228 -58.49924 74.46587 
1 1 1   21    7   10 o  821.187   42.789   17.213   1.7824   19.027   2.8065   15.987   2.3075  856.549   63.729  785.826   57.115 70.72345 85.57757 
1 1 1   21    7   12 o  699.912   59.203   12.694   2.1304   12.694   2.1304   0.0000   0.0000  699.912   59.203  ?   ?       ?      ? 
1 1 1   21    7   14 o  1500.90   29.614   57.987   2.2806   55.596   3.1076   60.776   3.3573  1467.59   41.186  1534.22   42.563 -66.63086 59.22701 
1 1 1   21    7   16 o  420.642   30.525   4.5834   0.6571   4.7266   0.8962   4.4170   0.9664  427.877   40.740  413.407   45.468 14.46988 61.04956 
1 1 1   21    7   18 o  951.877   29.321   23.504   1.4277   24.594   1.9532   22.253   2.0920  975.953   38.927  927.801   43.857 48.15125 58.64139 
1 1 1   21    7   20 o  761.150   29.353   14.976   1.1458   15.000   1.5674   14.950   1.6793  761.936   40.011  760.364   42.958 1.572388 58.70505 
1 1 1   21    7   22 o  1168.60   29.012   35.248   1.7408   33.063   2.3995   37.675   2.5295  1130.42   41.286  1206.78   40.770 -76.35999 58.02379 
1 1 1   21    7   24 o  655.419   43.288   11.161   1.4529   9.9333   1.9715   12.620   2.1494  616.054   62.247  694.785   60.172 -78.73126 86.57513 
1 1 1   21    7   26 o  1281.58   35.861   42.159   2.2023   41.006   2.6532   44.714   3.9492  1257.02   41.054  1306.14   58.809 -49.11365 71.72151 
1 1 1   21    7   28 o  683.306   58.365   12.277   2.0504   12.277   2.0504   0.0000   0.0000  683.306   58.365  ?   ?       ?      ? 
1 1 1   21    7   30 o  313.257   47.905   2.7132   0.7467   2.7802   1.0119   2.6332   1.1065  318.441   64.029  308.073   71.273 10.36850 95.81023 
1 1 1   21    7   32 o  384.895   39.948   4.0107   0.7107   4.0756   0.8617   3.8726   1.2569  394.805   42.450  374.986   67.685 19.81885 79.89558 
1 1 1   21    7   34 o  458.690   37.264   5.2940   0.8238   4.8108   0.9862   6.4096   1.4985  427.763   44.841  489.616   59.530 -61.85349 74.52876 
1 1 1   21    7   36 o  290.554   46.879   2.4068   0.7156   1.5003   1.0392   3.2245   0.9869  233.965   75.714  347.142   55.297 -113.1775 93.75754 
1 1 1   21    7   38 o  155.716   37.048   0.4433   0.3010   0.2927   0.3370   1.0360   0.6687  116.645   42.843  194.787   60.454 -78.14211 74.09639 
1 1 1   21    7   40 o  208.545   61.525   1.2189   0.7048   1.2189   0.7048   0.0000   0.0000  208.545   61.525  ?   ?       ?      ? 
1 1 1   21    7   42 o  215.301   37.399   1.2449   0.3720   1.1866   0.4309   1.4153   0.7369  207.889   41.769  222.714   62.050 -14.82471 74.79845 
1 1 1   21    7   44 o  432.137   36.797   4.9887   0.7159   4.8753   0.8298   5.3190   1.4162  428.672   37.650  435.601   63.235 -6.929443 73.59418 
1 1 1   21    7   46 o  173.760   37.430   0.7996   0.3281   0.7599   0.3768   0.9241   0.6672  164.837   43.740  182.684   60.753 -17.84720 74.86086 
1 1 1   21    7   48 o  240.694   39.561   1.5830   0.4300   1.4712   0.4955   1.9243   0.8656  229.221   43.637  252.168   66.000 -22.94676 79.12167 
1 1 1   21    7   50 o  276.173   44.577   2.1076   0.6329   2.1076   0.6329   0.0000   0.0000  276.173   44.577  ?   ?       ?      ? 
1 1 1   21    7   52 o  130.840   34.443   0.4108   0.2696   0.4261   0.3003   0.3473   0.6116  124.985   40.721  136.695   55.563 -11.71066 68.88680 
1 1 1   21    8    1 o  958.680   48.964   24.082   2.3893   20.997   3.4632   26.884   3.3007  898.737   74.950  1018.62   63.027 -119.8863 97.92837 
1 1 1   21    8    3 o  750.068   56.361   14.555   2.1734   0.0000   0.0000   14.555   2.1734  ?   ?   750.068   56.361      ?      ? 
1 1 1   21    8    5 o  659.914   43.535   11.238   1.4770   0.0000   0.0000   11.238   1.4770  ?   ?   659.914   43.535      ?      ? 
1 1 1   21    8    7 o  1096.04   44.882   31.161   2.4477   31.072   3.9960   31.215   3.0966  1093.61   71.071  1098.47   54.830 -4.861206 89.76341 
1 1 1   21    8    9 o  938.168   36.042   22.740   1.7113   22.675   2.2304   22.832   2.6682  937.019   46.297  939.318   55.251 -2.298889 72.08437 
1 1 1   21    8   11 o  537.687   36.873   7.7047   0.9747   8.4007   1.2459   6.6067   1.5648  570.495   42.478  504.880   60.284 65.61505 73.74649 
1 1 1   21    8   13 o  390.345   41.799   4.1574   0.7592   3.5773   1.2851   4.4684   0.9409  364.741   71.083  415.948   43.998 -51.20697 83.59773 
1 1 1   21    8   15 o  765.014   29.672   15.106   1.1622   15.045   1.5722   15.180   1.7257  763.467   40.055  766.562   43.788 -3.094116 59.34452 
1 1 1   21    8   17 o  460.157   30.000   5.4575   0.7076   5.3088   0.9586   5.6356   1.0489  453.356   41.125  466.957   43.690 -13.60095 60.00049 
1 1 1   21    8   19 o  471.558   29.974   5.7677   0.7234   5.9993   0.9901   5.5024   1.0596  481.895   39.961  461.220   44.686 20.67545 59.94736 
1 1 1   21    8   21 o  507.879   31.364   6.8433   0.7978   8.1779   1.0939   5.3272   1.1659  562.575   37.821  453.183   50.042 109.3920 62.72705 
1 1 1   21    8   23 o  1145.64   37.614   34.619   2.0027   35.268   2.3839   33.063   3.6918  1167.25   39.724  1124.04   63.883 43.21375 75.22705 
1 1 1   21    8   25 o  869.958   42.504   19.885   1.8935   20.596   2.5953   19.077   2.7687  887.480   56.879  852.435   63.174 35.04529 85.00728 
1 1 1   21    8   27 o  272.127   63.514   2.0275   0.8724   2.0275   0.8724   0.0000   0.0000  272.127   63.514  ?   ?       ?      ? 
1 1 1   21    8   29 o  488.045   38.431   6.4212   0.8810   6.6890   1.0642   5.8379   1.5706  506.944   40.833  469.146   65.118 37.79761 76.86151 
1 1 1   21    8   31 o  185.361   39.371   0.8403   0.3750   0.7203   0.4423   1.1470   0.7070  164.417   48.794  206.305   61.802 -41.88899 78.74207 
1 1 1   21    8   33 f  261.932   40.662   1.9459   0.4585   2.0238   0.5180   1.6641   0.9853  278.658   36.159  245.207   72.843 33.45137 81.32387 
1 1 1   21    8   35 o  482.219   37.340   5.7502   0.8799   4.8760   1.0622   7.6630   1.5711  429.317   48.122  535.120   57.108 -105.8036 74.67921 
1 1 1   21    8   37 o  328.360   39.022   2.9923   0.5494   3.0458   0.6359   2.8347   1.0907  340.928   36.280  315.793   69.098 25.13464 78.04367 
1 1 1   21    8   39 o  489.284   44.273   6.3574   1.1137   6.3574   1.1137   0.0000   0.0000  489.284   44.273  ?   ?       ?      ? 
1 1 1   21    8   41 f  686.615   39.989   13.987   1.1529   15.125   1.3357   10.660   2.2835  758.738   34.240  614.491   72.279 144.2469 79.97884 
1 1 1   21    8   43 o  448.810   34.573   5.1243   0.7050   4.7854   0.8130   6.1520   1.4158  425.235   37.187  472.386   58.296 -47.15164 69.14659 
1 1 1   21    8   45 o  208.875   41.366   1.1764   0.4377   1.0168   0.5285   1.5250   0.7810  189.388   52.467  228.362   63.967 -38.97366 82.73228 
1 1 1   21    8   47 o  443.088   36.174   5.1516   0.7138   4.8760   0.8175   6.0358   1.4645  426.902   37.249  459.274   62.023 -32.37146 72.34833 
1 1 1   21    8   49 o  294.783   49.988   2.7464   0.7586   2.1302   1.1003   3.3048   1.0474  257.426   77.092  332.141   63.655 -74.71515 99.97590 
1 1 1   21    8   51 o  239.010   34.885   1.2639   0.3870   0.8118   0.4420   2.7476   0.8007  167.139   48.557  310.882   50.099 -143.7435 69.76903 
1 1 1   21    9    0 o  168.437   68.874   1.0223   0.5876   0.0000   0.0000   1.0223   0.5876  168.437   68.874  168.437   68.874 -0.000000 0.000000 
1 1 1   21    9    2 o  1432.06   44.640   52.934   3.2867   0.0000   0.0000   52.934   3.2867  ?   ?   1432.06   44.640      ?      ? 
1 1 1   21    9    4 o  1298.34   43.585   43.532   2.8348   44.311   4.5712   43.045   3.6136  1306.63   68.046  1290.05   54.483 16.58582 87.17051 
1 1 1   21    9    6 o  940.829   42.502   22.460   2.0271   25.727   3.2101   20.293   2.6142  996.268   62.671  885.390   57.429 110.8779 85.00455 
1 1 1   21    9    8 o  2118.84   36.701  116.774   3.9399  120.486   5.1983  111.763   6.0396  2159.80   46.814  2077.88   56.535 81.91772 73.40132 
1 1 1   21    9   10 o  653.952   31.788   11.065   1.0614   12.760   1.5198   9.4506   1.4829  703.130   42.041  604.774   47.692 98.35590 63.57652 
1 1 1   21    9   12 o  723.672   30.831   13.538   1.1451   13.786   1.5822   13.264   1.6594  730.768   42.113  716.576   45.041 14.19287 61.66210 
1 1 1   21    9   14 o  1025.78   36.123   26.749   1.8449   29.112   3.0670   25.410   2.3094  1059.92   56.281  991.640   45.297 68.28125 72.24567 
1 1 1   21    9   16 o  597.144   30.873   9.3566   0.9329   10.431   1.2644   8.0723   1.3821  635.700   38.686  558.588   48.125 77.11157 61.74663 
1 1 1   21    9   18 o  1012.68   38.737   26.279   1.7791   25.918   2.0687   27.303   3.4867  1001.64   40.172  1023.72   66.246 -22.08496 77.47495 
1 1 1   21    9   20 f  1229.46   36.922   37.718   2.1102   35.844   2.4714   42.760   4.0539  1177.48   40.824  1281.44   61.532 -103.9657 73.84321 
1 1 1   21    9   22 o  1171.68   37.189   35.082   2.0273   34.274   2.3896   37.158   3.8295  1150.76   40.390  1192.60   62.456 -41.84131 74.37766 
1 1 1   21    9   24 o  501.433   38.574   6.4147   0.9053   6.2160   1.0697   6.9161   1.6992  489.515   42.505  513.352   64.383 -23.83643 77.14824 
1 1 1   21    9   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   28 o  323.094   42.981   2.9704   0.5600   3.0902   0.6299   2.5190   1.2231  345.174   35.496  301.015   78.292 44.15887 85.96297 
1 1 1   21    9   30 o  566.675   35.773   7.7424   0.9805   6.5462   1.1699   10.567   1.7976  500.295   45.482  633.056   55.229 -132.7617 71.54636 
1 1 1   21    9   32 o  451.065   33.707   4.6818   0.6750   4.1155   0.7616   6.7563   1.4576  397.368   37.279  504.762   56.169 -107.3938 67.41431 
1 1 1   21    9   34 o  354.580   44.424   3.9959   0.6364   4.4883   0.7324   2.4788   1.2855  414.964   34.330  294.196   81.948 120.7674 88.84838 
1 1 1   21    9   36 o  156.813   38.728   0.5902   0.3430   0.6115   0.3882   0.5145   0.7326  151.346   45.900  162.280   62.391 -10.93456 77.45565 
1 1 1   21    9   38 o  268.831   41.997   1.9085   0.5327   1.6882   0.6394   2.4084   0.9633  246.718   52.043  290.943   65.928 -44.22447 83.99369 
1 1 1   21    9   40 o  461.096   37.288   5.0663   0.8304   3.6081   0.9973   8.3632   1.4995  365.453   53.077  556.740   52.387 -191.2879 74.57608 
1 1 1   21    9   42 o  800.274   37.913   18.281   1.3134   19.190   1.5242   15.661   2.5884  853.635   34.730  746.913   67.405 106.7217 75.82664 
1 1 1   21    9   44 o  206.475   38.691   1.1878   0.3754   1.1808   0.4298   1.2102   0.7714  206.752   41.865  206.197   65.078 0.5544891 77.38104 
1 1 1   21    9   46 o  545.706   38.207   8.0112   1.0199   7.4546   1.2460   9.1413   1.7753  523.279   46.313  568.132   60.780 -44.85333 76.41441 
1 1 1   21    9   48 o  165.659   40.211   0.5182   0.3546   0.3191   0.3967   1.3098   0.7910  121.878   46.134  209.439   65.875 -87.56109 80.42298 
1 1 1   21    9   50 o  115.672   31.074   0.2988   0.2479   0.3933   0.2844   0.0000   0.5058  121.297   39.634  110.048   47.870 11.24892 62.14827 
1 1 1   21   10    1 o  733.233   34.919   14.128   1.2938   11.953   1.9098   15.973   1.7589  679.760   54.647  786.705   43.487 -106.9453 69.83842 
1 1 1   21   10    3 o  1168.29   40.645   35.070   2.1894   35.926   4.1670   34.744   2.5732  1176.30   68.902  1160.29   43.135 16.00867 81.29070 
1 1 1   21   10    5 o  1029.06   40.303   27.239   1.9404   27.832   3.6022   26.996   2.3031  1035.45   67.666  1022.68   43.803 12.76904 80.60579 
1 1 1   21   10    7 o  664.230   40.551   11.488   1.2656   11.263   2.3080   11.584   1.5135  658.578   68.165  669.881   43.945 -11.30341 81.10231 
1 1 1   21   10    9 o  1401.16   32.008   50.672   2.3041   51.501   3.3320   49.912   3.1897  1412.05   45.896  1390.27   44.626 21.78455 64.01504 
1 1 1   21   10   11 o  922.403   42.227   22.055   1.7608   22.050   2.0504   22.068   3.4363  924.086   43.158  920.719   72.593 3.367798 84.45342 
1 1 1   21   10   13 o  827.596   41.808   17.488   1.5169   17.242   1.7336   18.292   3.1332  817.228   41.261  837.964   72.727 -20.73627 83.61681 
1 1 1   21   10   15 o  682.925   46.508   12.106   1.5969   12.016   2.0512   12.245   2.5445  680.517   58.626  685.333   72.215 -4.816101 93.01666 
1 1 1   21   10   17 o  1785.53   37.591   78.302   3.0542   73.721   3.5239   92.134   6.1235  1689.27   40.574  1881.80   63.293 -192.5337 75.18194 
1 1 1   21   10   19 o  155.683   38.516   0.5781   0.3530   0.6726   0.3995   0.2411   0.7544  159.538   46.105  151.828   61.711 7.709183 77.03208 
1 1 1   21   10   21 o  833.618   37.573   17.429   1.4512   16.649   1.6977   19.544   2.7962  802.070   41.171  865.167   62.863 -63.09723 75.14515 
1 1 1   21   10   23 o  895.841   36.107   20.668   1.3589   20.507   1.5288   21.275   2.9660  890.787   33.382  900.895   64.036 -10.10864 72.21427 
1 1 1   21   10   25 o  676.109   58.554   11.982   2.0354   11.982   2.0354   0.0000   0.0000  676.109   58.554  ?   ?       ?      ? 
1 1 1   21   10   27 o  453.656   37.079   5.0869   0.7070   4.8780   0.7898   5.9295   1.5862  433.780   35.415  473.531   65.155 -39.75104 74.15792 
1 1 1   21   10   29 o  169.454   37.887   0.7941   0.3917   1.0570   0.4519   0.0000   0.7856  197.310   45.484  141.598   60.605 55.71136 75.77396 
1 1 1   21   10   31 o  450.560   38.718   5.4855   0.7319   5.5802   0.8293   5.1517   1.5571  463.263   34.817  437.858   69.167 25.40521 77.43609 
1 1 1   21   10   33 o  645.790   34.432   10.467   0.9821   9.9821   1.1192   12.090   2.0475  618.871   35.177  672.709   59.201 -53.83881 68.86376 
1 1 1   21   10   35 o  667.638   35.313   11.422   1.0347   11.052   1.1796   12.655   2.1545  650.368   35.278  684.907   61.184 -34.53992 70.62611 
1 1 1   21   10   37 o  376.811   38.714   3.4917   0.7034   2.9428   0.8366   4.8154   1.2992  332.287   48.970  421.336   59.975 -89.04861 77.42743 
1 1 1   21   10   39 o  492.491   35.345   6.3704   0.8949   6.3704   0.8949   0.0000   0.0000  492.491   35.345  ?   ?       ?      ? 
1 1 1   21   10   41 f  296.159   38.319   2.3366   0.4937   2.2525   0.5672   2.5995   1.0027  292.010   37.777  300.309   66.681 -8.298340 76.63877 
1 1 1   21   10   43 o  498.953   34.157   5.9906   0.7701   5.2739   0.8776   8.3904   1.6059  445.783   38.291  552.123   56.573 -106.3400 68.31303 
1 1 1   21   10   45 o  314.765   40.115   2.6535   0.5581   2.4961   0.6448   3.1230   1.1139  305.008   41.121  324.523   68.890 -19.51419 80.22985 
1 1 1   21   10   47 o  200.335   37.425   0.9647   0.3419   0.7789   0.3870   1.6255   0.7299  166.183   44.438  234.486   60.230 -68.30318 74.84923 
1 1 1   21   10   49 o  370.544   45.921   3.8001   0.8748   3.8001   0.8748   0.0000   0.0000  370.544   45.921  ?   ?       ?      ? 
1 1 1   21   10   51 o  163.468   35.051   0.8093   0.3753   1.2044   0.4579   0.0000   0.6553  204.265   44.829  122.671   53.894 81.59386 70.10206 
1 1 1   21   11    0 o  1864.40   36.199   89.581   3.4668   89.581   3.4668   0.0000   0.0000  1864.40   36.199  1864.40   36.199 0.000000 0.000000 
1 1 1   21   11    2 o  454.869   55.964   5.6046   1.2440   7.4133   1.7668   3.8262   1.7519  534.643   64.279  375.095   91.631 159.5479 111.9283 
1 1 1   21   11    4 o  952.837   69.491   23.584   3.4042   23.584   3.4042   0.0000   0.0000  952.837   69.491  ?   ?       ?      ? 
1 1 1   21   11    6 o  1427.88   49.566   53.032   3.6286   53.680   4.9682   52.291   5.3124  1437.86   67.206  1417.90   72.874 19.96472 99.13287 
1 1 1   21   11    8 o  448.913   42.151   4.8168   0.9139   4.1311   1.0895   6.4444   1.6786  399.588   53.034  498.238   65.531 -98.64993 84.30262 
1 1 1   21   11   10 o  1409.57   42.797   51.424   2.7597   51.299   3.2338   51.757   5.2941  1409.26   44.632  1409.88   73.037 -0.6174316 85.59480 
1 1 1   21   11   12 o  881.798   39.493   19.873   1.3784   19.720   1.5208   20.578   3.2625  874.593   33.822  889.004   71.380 -14.41040 78.98699 
1 1 1   21   11   14 o  182.721   36.158   0.4330   0.2811   0.2304   0.3015   1.7815   0.7779  108.511   40.398  256.931   59.979 -148.4193 72.31532 
1 1 1   21   11   16 o  1392.22   37.850   48.996   2.0944   48.288   2.3098   52.268   4.9659  1368.36   32.833  1416.08   68.210 -47.72021 75.70040 
1 1 1   21   11   18 o  1034.54   33.820   24.151   1.4646   21.933   1.6182   34.197   3.4438  921.971   34.138  1147.11   58.393 -225.1373 67.63974 
1 1 1   21   11   20 o  228.955   42.841   1.4407   0.4771   1.5155   0.5565   1.2334   0.9264  237.701   47.205  220.209   71.507 17.49229 85.68262 
1 1 1   21   11   22 o  368.816   48.256   4.2919   0.6492   4.6324   0.7151   2.6966   1.5480  423.452   32.847  314.181   90.750 109.2705 96.51170 
1 1 1   21   11   24 o  274.539   65.407   2.0602   0.9100   2.0602   0.9100   0.0000   0.0000  274.539   65.407  ?   ?       ?      ? 
1 1 1   21   11   26 o  355.943   39.230   2.9385   0.6610   2.4115   0.7723   4.3817   1.2781  303.893   49.431  407.992   60.931 -104.0984 78.45986 
1 1 1   21   11   28 o  578.622   35.420   8.3022   0.8853   7.9313   0.9989   9.6601   1.9112  552.867   35.143  604.378   61.509 -51.51068 70.84010 
1 1 1   21   11   30 o  416.990   47.966   5.4774   0.8356   6.4169   0.9962   3.2480   1.5346  496.232   39.049  337.748   87.625 158.4841 95.93197 
1 1 1   21   11   32 o  207.357   40.137   0.9958   0.3646   0.8744   0.4035   1.5364   0.8514  179.099   44.110  235.615   67.069 -56.51559 80.27418 
1 1 1   21   11   34 o  161.560   37.053   0.6700   0.3030   0.7010   0.3339   0.5255   0.7217  160.424   40.482  162.697   62.072 -2.273346 74.10602 
1 1 1   21   11   36 o  253.977   47.992   1.8305   0.6597   1.2323   0.9364   2.4198   0.9295  214.700   71.983  293.255   63.492 -78.55417 95.98354 
1 1 1   21   11   38 o  213.847   41.847   1.2485   0.4436   1.2485   0.4436   0.0000   0.0000  213.847   41.847  ?   ?       ?      ? 
1 1 1   21   11   40 o  347.440   38.179   3.1247   0.6468   2.8332   0.7838   3.7470   1.1454  325.400   46.851  369.480   60.296 -44.08047 76.35852 
1 1 1   21   11   42 o  670.624   35.102   11.528   1.0434   10.941   1.1914   13.464   2.1615  643.672   36.001  697.576   60.270 -53.90344 70.20403 
1 1 1   21   11   44 o  233.105   40.043   1.6332   0.4326   1.7480   0.4922   1.2433   0.9073  256.444   37.333  209.765   70.852 46.67882 80.08639 
1 1 1   21   11   46 o  234.788   41.387   1.4405   0.4787   1.0657   0.5784   2.2555   0.8528  192.455   55.435  277.121   61.468 -84.66557 82.77321 
1 1 1   21   11   48 o  371.024   70.597   4.2142   1.2975   4.2142   1.2975   0.0000   0.0000  371.024   70.597  ?   ?       ?      ? 
1 1 1   21   11   50 o  272.313   45.187   2.4637   0.5970   2.7387   0.7015   1.7414   1.1369  314.540   43.382  230.086   79.282 84.45386 90.37479 
1 1 1   21   12    1 o  703.000   36.771   11.258   1.1192   10.138   1.2514   15.736   2.5016  626.956   38.824  779.043   62.458 -152.0868 73.54138 
1 1 1   21   12    3 o  2916.53   41.468  219.588   5.5331  218.700   6.4809  221.974   10.627  2910.73   43.308  2922.34   70.730 -11.61206 82.93555 
1 1 1   21   12    5 o  357.838   44.236   3.3062   0.8138   3.3062   0.8138   0.0000   0.0000  357.838   44.236  ?   ?       ?      ? 
1 1 1   21   12    7 o  1520.67   40.338   56.724   2.8027   53.300   3.2400   66.899   5.5858  1436.71   43.864  1604.63   67.708 -167.9159 80.67532 
1 1 1   21   12    9 f  225.492   44.045   1.4560   0.5200   1.7039   0.6115   0.8085   0.9882  252.490   48.875  198.493   73.288 53.99718 88.09001 
1 1 1   21   12   11 o  1489.60   38.925   55.430   2.3048   54.294   2.5384   60.767   5.5010  1451.17   34.023  1528.02   70.023 -76.85352 77.85070 
1 1 1   21   12   13 o  645.172   36.501   9.7255   0.9493   9.1511   1.0415   12.543   2.3070  595.716   34.007  694.627   64.598 -98.91095 73.00285 
1 1 1   21   12   15 o  1637.28   40.880   69.867   2.9780   70.141   3.4431   69.054   5.9334  1647.77   40.643  1626.79   70.942 20.97375 81.75957 
1 1 1   21   12   17 o  448.218   43.361   5.5146   0.7278   5.6357   0.8054   4.9753   1.6994  467.389   33.519  429.047   79.982 38.34253 86.72150 
1 1 1   21   12   19 o  674.110   38.505   11.681   1.0395   11.604   1.1513   12.020   2.4179  670.475   33.399  677.745   69.391 -7.270447 77.01023 
1 1 1   21   12   21 o  635.232   34.970   9.3442   0.9347   8.6013   1.0368   12.569   2.1601  576.876   34.958  693.588   60.575 -116.7116 69.93913 
1 1 1   21   12   23 o  208.662   48.083   1.1775   0.5052   1.1775   0.5052   0.0000   0.0000  208.662   48.083  ?   ?       ?      ? 
1 1 1   21   12   25 o  498.578   39.767   6.2757   0.9026   6.0134   1.0456   7.0423   1.7876  480.991   42.284  516.164   67.362 -35.17319 79.53322 
1 1 1   21   12   27 o  642.472   34.519   9.6669   0.9531   8.8484   1.0652   12.953   2.1343  584.019   35.477  700.925   59.225 -116.9056 69.03790 
1 1 1   21   12   29 o  546.815   36.066   7.4976   0.8441   7.2210   0.9506   8.5286   1.8355  527.224   35.070  566.407   63.031 -39.18250 72.13109 
1 1 1   21   12   31 o  370.167   37.335   3.3311   0.5904   3.1187   0.6609   4.1696   1.3134  345.897   37.165  394.437   64.765 -48.53995 74.67072 
1 1 1   21   12   33 o  270.447   42.294   1.9107   0.4783   1.8571   0.5321   2.1363   1.0914  266.389   38.850  274.505   75.138 -8.116089 84.58738 
1 1 1   21   12   35 o  392.298   35.273   3.5554   0.6066   3.1286   0.6806   5.2033   1.3374  345.333   38.337  439.263   59.219 -93.93048 70.54514 
1 1 1   21   12   37 o  560.404   44.337   8.3281   1.2774   8.3281   1.2774   0.0000   0.0000  560.404   44.337  ?   ?       ?      ? 
1 1 1   21   12   39 o  206.889   38.411   1.1896   0.3761   1.2007   0.4330   1.1558   0.7584  209.451   41.680  204.327   64.532 5.124252 76.82185 
1 1 1   21   12   41 o  260.632   38.264   1.7879   0.4467   1.6870   0.5153   2.0930   0.8958  252.196   39.745  269.069   65.398 -16.87332 76.52825 
1 1 1   21   12   43 o  414.815   45.162   5.5302   0.7385   6.1378   0.8534   3.7184   1.4735  482.079   34.430  347.550   83.505 134.5287 90.32491 
1 1 1   21   12   45 o  187.994   39.474   1.0530   0.4160   1.2457   0.5044   0.6429   0.7357  209.951   47.797  166.038   62.836 43.91316 78.94880 
1 1 1   21   12   47 o  290.866   50.409   2.6065   0.7466   2.5525   1.0211   2.6685   1.0944  288.636   69.617  293.097   72.922 -4.461212 100.8171 
1 1 1   21   12   49 o  297.561   44.929   2.7486   0.6369   2.9057   0.7735   2.4179   1.1222  323.112   46.565  272.009   76.852 51.10318 89.85814 
1 1 1   21   12   51 o  265.348   42.563   2.1388   0.4978   2.1349   0.5648   2.1522   1.0540  278.338   39.466  252.359   75.425 25.97868 85.12660 
1 1 1   21   13    0 o  488.314   84.694   6.6974   1.9346   0.0000   0.0000   6.6974   1.9346  488.314   84.694  488.314   84.694 -0.000000 0.000000 
1 1 1   21   13    2 o  550.119   42.806   7.7692   1.0538   7.6921   1.2176   7.9993   2.1037  545.845   43.386  554.393   73.805 -8.548096 85.61299 
1 1 1   21   13    4 o  1882.53   40.750   90.155   3.5264   88.183   4.1247   95.510   6.7980  1848.09   43.411  1916.97   68.975 -68.88379 81.49911 
1 1 1   21   13    6 f  1947.42   42.079   97.987   3.6998   97.629   4.3017   99.004   7.2522  1944.51   43.029  1950.33   72.326 -5.821411 84.15778 
1 1 1   21   13    8 o  998.026   40.150   24.748   1.6618   24.050   1.8517   27.637   3.7674  965.583   37.300  1030.47   71.110 -64.88708 80.29921 
1 1 1   21   13   10 o  679.449   41.564   12.106   1.1028   12.180   1.2165   11.765   2.6126  687.297   34.426  671.601   75.665 15.69568 83.12807 
1 1 1   21   13   12 o  1399.77   39.554   50.249   2.1504   49.962   2.3615   51.641   5.2027  1392.06   32.996  1407.48   71.897 -15.42383 79.10741 
1 1 1   21   13   14 o  742.650   39.183   14.064   1.1355   13.935   1.2476   14.687   2.7414  735.079   33.011  750.221   71.073 -15.14203 78.36525 
1 1 1   21   13   16 o  1224.78   39.528   37.587   2.1761   36.225   2.5052   41.774   4.3920  1183.91   41.158  1265.66   67.496 -81.74792 79.05544 
1 1 1   21   13   18 o  1371.79   38.917   49.742   2.1032   50.224   2.3281   47.604   4.9046  1395.07   32.459  1348.50   70.743 46.57275 77.83403 
1 1 1   21   13   20 o  675.617   47.562   12.550   1.5660   14.690   2.0428   9.5009   2.4386  751.389   52.880  599.844   79.072 151.5448 95.12491 
1 1 1   21   13   22 o  609.148   40.819   9.6205   1.2784   9.6205   1.2784   0.0000   0.0000  609.148   40.819  ?   ?       ?      ? 
1 1 1   21   13   24 o  723.041   36.821   12.967   1.1041   12.513   1.2290   14.865   2.5139  695.219   34.385  750.862   65.122 -55.64355 73.64193 
1 1 1   21   13   26 o  281.146   45.279   2.5331   0.6200   3.0733   0.7241   1.0482   1.2005  343.739   40.973  218.553   80.759 125.1861 90.55845 
1 1 1   21   13   28 o  732.082   35.116   13.227   1.1054   12.589   1.2441   15.622   2.4093  696.326   34.751  767.837   61.031 -71.51129 70.23149 
1 1 1   21   13   30 o  442.597   39.376   5.0076   0.8253   4.7411   0.9799   5.6582   1.5311  425.323   44.811  459.871   64.760 -34.54755 78.75248 
1 1 1   21   13   32 o  764.733   37.727   15.841   1.2137   16.099   1.3764   14.939   2.5731  786.180   34.054  743.286   67.332 42.89459 75.45390 
1 1 1   21   13   34 o  486.727   43.965   6.9960   0.8310   7.4021   0.9417   5.5653   1.7673  532.411   34.401  441.043   80.922 91.36786 87.93066 
1 1 1   21   13   36 o  193.258   64.075   0.9908   0.7424   0.9908   0.7424   0.0000   0.0000  193.258   64.075  ?   ?       ?      ? 
1 1 1   21   13   38 o  317.757   34.267   2.2565   0.4957   1.8113   0.5635   3.7808   1.0427  261.470   41.919  374.045   54.219 -112.5753 68.53333 
1 1 1   21   13   40 o  263.491   40.448   1.8308   0.5058   1.5683   0.6113   2.4010   0.9009  236.801   51.663  290.180   62.250 -53.37939 80.89590 
1 1 1   21   13   42 o  282.468   42.636   2.5969   0.5324   2.9300   0.6114   1.5506   1.0835  332.970   35.712  231.965   77.432 101.0052 85.27114 
1 1 1   21   13   44 o  258.642   44.008   1.8701   0.5514   1.6888   0.6712   2.2465   0.9669  242.804   55.039  274.480   68.683 -31.67592 88.01540 
1 1 1   21   13   46 o  186.439   43.801   0.9738   0.5040   1.2564   0.6975   0.6648   0.7292  206.804   61.253  166.074   62.626 40.72974 87.60108 
1 1 1   21   13   48 o  419.538   48.772   5.7794   0.8898   6.5545   1.0793   4.1341   1.5724  489.075   42.923  350.000   87.594 139.0750 97.54490 
1 1 1   21   13   50 o  133.807   33.686   0.4670   0.2803   0.5120   0.3323   0.3559   0.5221  135.626   42.702  131.989   52.111 3.636230 67.37166 
1 1 1   21   14    1 o  1192.78   51.452   37.078   3.1423   32.948   4.4064   41.353   4.4824  1124.39   76.225  1261.18   69.130 -136.7937 102.9035 
1 1 1   21   14    3 o  510.851   49.025   7.4371   1.0370   7.9876   1.2039   5.8536   2.0417  556.240   42.096  465.462   88.554 90.77841 98.05042 
1 1 1   21   14    5 o  783.167   43.248   15.839   1.7414   15.839   1.7414   0.0000   0.0000  783.167   43.248  ?   ?       ?      ? 
1 1 1   21   14    7 o  1782.80   41.061   79.589   3.3238   76.591   3.8462   88.433   6.6053  1722.04   43.442  1843.56   69.690 -121.5198 82.12114 
1 1 1   21   14    9 o  208.976   45.015   0.9911   0.4493   0.8746   0.5035   1.4464   0.9952  181.560   51.542  236.391   73.816 -54.83101 90.02990 
1 1 1   21   14   11 o  1740.76   38.822   75.329   2.6574   73.628   2.9165   83.645   6.4493  1689.77   33.572  1791.75   70.011 -101.9813 77.64378 
1 1 1   21   14   13 o  1553.52   38.208   59.658   2.3412   58.102   2.5697   67.255   5.6793  1500.91   33.302  1606.13   68.777 -105.2185 76.41545 
1 1 1   21   14   15 o  669.964   43.613   12.868   1.0923   13.512   1.2072   9.9618   2.5649  723.790   32.442  616.137   80.969 107.6533 87.22624 
1 1 1   21   14   17 o  508.714   43.638   7.0665   0.8236   7.2223   0.9013   6.2782   2.0275  528.994   33.141  488.434   80.738 40.56039 87.27525 
1 1 1   21   14   19 o  561.093   40.483   7.9331   1.0053   7.6809   1.1496   8.7523   2.0721  544.664   41.054  577.523   69.786 -32.85858 80.96600 
1 1 1   21   14   21 o  973.164   32.874   24.478   1.6448   24.478   1.6448   0.0000   0.0000  973.164   32.874  ?   ?       ?      ? 
1 1 1   21   14   23 o  1163.79   39.314   36.821   1.8273   37.700   2.0395   33.239   4.1146  1207.19   32.861  1120.39   71.432 86.80212 78.62796 
1 1 1   21   14   25 o  594.904   36.175   8.8831   0.9090   8.6105   1.0195   9.9396   2.0072  576.427   34.402  613.382   63.647 -36.95569 72.34985 
1 1 1   21   14   27 o  1457.92   39.022   56.315   2.6365   56.798   3.1263   55.127   4.9058  1476.47   41.185  1439.36   66.293 37.10938 78.04461 
1 1 1   21   14   29 o  483.822   40.532   6.6130   0.7910   6.9096   0.8917   5.5174   1.7137  515.727   33.631  451.916   73.759 63.81137 81.06480 
1 1 1   21   14   31 o  556.039   36.659   7.7494   0.8668   7.4287   0.9730   8.9823   1.9078  533.899   35.447  578.178   64.180 -44.27863 73.31816 
1 1 1   21   14   33 o  370.610   42.315   3.7890   0.6129   3.8165   0.6839   3.6771   1.3811  382.349   34.791  358.871   77.148 23.47852 84.63038 
1 1 1   21   14   35 o  285.132   44.633   2.1519   0.6543   2.1519   0.6543   0.0000   0.0000  285.132   44.633  ?   ?       ?      ? 
1 1 1   21   14   37 o  379.383   38.242   3.3926   0.6899   2.6613   0.8089   5.3449   1.3216  315.190   49.915  443.576   57.950 -128.3853 76.48338 
1 1 1   21   14   39 o  671.868   36.634   11.726   1.0767   11.318   1.2262   13.101   2.2504  655.443   36.388  688.292   63.594 -32.84900 73.26851 
1 1 1   21   14   41 o  462.570   39.533   5.7250   0.8670   5.5089   1.0353   6.2320   1.5861  453.596   44.394  471.544   65.426 -17.94839 79.06562 
1 1 1   21   14   43 f  278.684   44.917   2.2597   0.6004   2.2638   0.7318   2.2512   1.0498  283.837   52.069  273.531   73.206 10.30658 89.83477 
1 1 1   21   14   45 o  460.241   34.699   5.3297   0.7326   4.7865   0.8446   6.9792   1.4718  422.457   38.887  498.025   57.480 -75.56796 69.39889 
1 1 1   21   14   47 o  138.701   42.512   0.5303   0.3319   0.5303   0.3319   0.0000   0.0000  138.701   42.512  ?   ?       ?      ? 
1 1 1   21   14   49 o  195.596   41.571   0.9322   0.4158   0.6414   0.4819   1.7793   0.8225  152.321   51.634  238.872   65.165 -86.55083 83.14143 
1 1 1   21   15    0 o   99.125   58.850   0.2757   0.5221   0.2757   0.5221   0.0000   0.0000   99.125   58.850   99.125   58.850 0.000000 0.000000 
1 1 1   21   15    2 o  860.175   41.689   19.173   1.8429   18.421   2.5744   19.963   2.6393  842.828   59.410  877.522   58.500 -34.69427 83.37750 
1 1 1   21   15    4 o  993.957   41.457   25.278   1.8778   24.894   2.1887   26.351   3.6558  981.750   43.362  1006.16   70.671 -24.41479 82.91312 
1 1 1   21   15    6 o  565.219   42.854   8.3073   1.0902   8.3265   1.2673   8.2526   2.1378  567.760   43.416  562.678   73.899 5.081360 85.70850 
1 1 1   21   15    8 o  1011.03   39.446   23.994   1.8259   21.387   2.0971   32.164   3.7122  909.691   44.840  1112.37   64.910 -202.6827 78.89200 
1 1 1   21   15   10 o  1221.94   42.905   38.798   2.3157   38.814   2.6655   38.751   4.6760  1225.67   42.299  1218.20   74.660 7.473022 85.81020 
1 1 1   21   15   12 o  511.768   38.620   6.3734   0.7766   6.1573   0.8500   7.4645   1.9097  488.564   33.841  534.973   69.431 -46.40863 77.23914 
1 1 1   21   15   14 o  1271.36   41.165   43.410   2.0021   44.155   2.2035   39.880   4.7935  1308.37   32.758  1234.36   75.533 74.00269 82.33080 
1 1 1   21   15   16 f  343.856   39.154   2.6123   0.6104   2.1722   0.6931   4.1343   1.2889  289.546   46.561  398.167   62.962 -108.6212 78.30749 
1 1 1   21   15   18 o  937.126   39.610   22.035   1.6543   21.232   1.8965   24.591   3.3837  905.636   40.731  968.617   67.947 -62.98108 79.22003 
1 1 1   21   15   20 o  1041.47   40.285   28.108   2.1570   28.108   2.1570   0.0000   0.0000  1041.47   40.285  ?   ?       ?      ? 
1 1 1   21   15   22 o  202.186   42.619   0.9514   0.3435   0.9240   0.3642   1.1717   1.0328  185.301   39.444  219.071   75.562 -33.76991 85.23777 
1 1 1   21   15   24 o  1238.33   36.506   38.867   1.8714   38.028   2.0882   42.288   4.2182  1211.73   33.520  1264.92   64.862 -53.19543 73.01153 
1 1 1   21   15   26 o  699.602   38.123   12.131   1.2427   11.217   1.4514   14.641   2.4052  655.857   43.045  743.347   62.934 -87.49011 76.24659 
1 1 1   21   15   28 o  952.180   37.531   24.405   1.4906   24.791   1.6843   23.009   3.2017  977.071   33.529  927.289   67.158 49.78204 75.06278 
1 1 1   21   15   30 o  714.547   38.117   12.858   1.2801   11.949   1.5061   15.225   2.4298  675.077   43.395  754.018   62.678 -78.94104 76.23383 
1 1 1   21   15   32 o  633.898   35.206   9.6518   0.9610   8.9071   1.0768   12.566   2.1302  584.005   35.862  683.791   60.594 -99.78522 70.41143 
1 1 1   21   15   34 o  337.985   43.827   3.0176   0.7616   3.0176   0.7616   0.0000   0.0000  337.985   43.827  ?   ?       ?      ? 
1 1 1   21   15   36 o  651.743   36.695   10.896   1.0301   10.490   1.1643   12.362   2.2107  632.199   35.821  671.286   64.055 -39.08698 73.39050 
1 1 1   21   15   38 o  440.016   41.555   5.3014   0.8664   5.3242   1.0451   5.2512   1.5492  446.753   45.502  433.279   69.546 13.47372 83.10941 
1 1 1   21   15   40 o  637.564   46.026   11.415   1.4966   12.611   2.0828   10.138   2.1520  676.172   59.914  598.956   69.884 77.21674 92.05171 
1 1 1   21   15   42 o  635.755   39.128   11.352   1.0548   11.558   1.2035   10.671   2.1906  660.929   35.419  610.580   69.783 50.34875 78.25694 
1 1 1   21   15   44 o  227.010   36.109   1.2506   0.3663   1.0215   0.4185   2.0007   0.7572  190.961   43.586  263.060   57.581 -72.09831 72.21703 
1 1 1   21   15   46 o  102.764   44.386   0.0000   0.4287   0.0000   0.4287   0.0000   0.0000  102.764   44.386  ?   ?       ?      ? 
1 1 1   21   15   48 o  400.146   40.920   4.5169   0.7009   4.3689   0.8054   4.9786   1.4226  400.768   39.088  399.523   71.903 1.245361 81.84053 
1 1 1   21   15   50 o  200.895   40.059   1.1192   0.3796   1.0173   0.4312   1.4706   0.8005  186.907   45.337  214.883   66.056 -27.97626 80.11823 
1 1 1   21   16    1 o  581.516   52.537   8.8128   1.5700   8.4477   2.1999   9.1918   2.2413  569.148   75.181  593.884   73.405 -24.73657 105.0739 
1 1 1   21   16    3 o  1387.51   42.710   49.697   2.7598   49.346   3.2673   50.571   5.1562  1381.73   45.993  1393.29   71.980 -11.55933 85.41969 
1 1 1   21   16    5 o  261.206   48.448   1.8205   0.6267   1.8205   0.6267   0.0000   0.0000  261.206   48.448  ?   ?       ?      ? 
1 1 1   21   16    7 o  854.619   43.694   19.184   1.6466   19.392   1.8990   18.555   3.3057  866.369   42.634  842.868   76.283 23.50104 87.38887 
1 1 1   21   16    9 o  2005.57   41.437   99.285   3.8263   93.387   4.4453  116.153   7.5171  1900.24   45.501  2110.89   69.266 -210.6450 82.87367 
1 1 1   21   16   11 o  629.330   40.184   9.8874   0.9763   9.6918   1.0671   10.893   2.4197  612.942   33.861  645.718   72.886 -32.77557 80.36716 
1 1 1   21   16   13 o  973.086   37.626   22.408   1.4507   21.293   1.5866   28.088   3.5826  908.430   33.970  1037.74   67.149 -129.3124 75.25218 
1 1 1   21   16   15 f  1060.14   42.202   29.592   1.9189   29.864   2.1856   28.677   4.0080  1074.74   39.555  1045.53   74.563 29.21021 84.40499 
1 1 1   21   16   17 o  371.213   41.254   3.5680   0.7873   3.5680   0.7873   0.0000   0.0000  371.213   41.254  ?   ?       ?      ? 
1 1 1   21   16   19 o  845.071   33.049   18.457   1.4359   18.457   1.4359   0.0000   0.0000  845.071   33.049  ?   ?       ?      ? 
1 1 1   21   16   21 o  778.696   37.916   15.322   1.1913   15.010   1.3185   16.707   2.7797  761.664   33.670  795.728   67.947 -34.06372 75.83157 
1 1 1   21   16   23 o  263.003   42.487   1.7633   0.4946   1.6529   0.5644   2.1290   1.0273  248.048   45.945  277.959   71.482 -29.91084 84.97398 
1 1 1   21   16   25 o  684.805   40.973   12.555   1.2620   12.776   1.4742   11.949   2.4420  700.525   40.931  669.084   70.990 31.44067 81.94506 
1 1 1   21   16   27 o  764.537   38.980   15.137   1.3798   14.764   1.6220   16.114   2.6252  752.018   41.951  777.055   65.710 -25.03741 77.95983 
1 1 1   21   16   29 o  791.967   40.391   17.973   1.2879   18.939   1.4553   14.481   2.7661  853.527   33.163  730.407   73.661 123.1198 80.78211 
1 1 1   21   16   31 o  227.374   39.445   1.5772   0.4206   1.7642   0.4749   0.8968   0.9060  260.010   35.528  194.738   70.438 65.27280 78.89088 
1 1 1   21   16   33 o  188.753   49.536   0.9812   0.4868   0.9812   0.4868   0.0000   0.0000  188.753   49.536  ?   ?       ?      ? 
1 1 1   21   16   35 o  679.319   41.755   12.763   1.2910   13.087   1.5243   11.939   2.4279  703.661   42.135  654.978   72.101 48.68280 83.50973 
1 1 1   21   16   37 o  780.761   39.806   16.396   1.4556   16.173   1.7318   16.932   2.6865  780.383   43.163  781.140   66.895 -0.7564697 79.61137 
1 1 1   21   16   39 o  446.907   34.339   4.7373   0.6844   4.1736   0.7745   6.7449   1.4616  397.352   37.914  496.461   57.264 -99.10901 68.67785 
1 1 1   21   16   41 o  296.939   44.368   3.1212   0.5849   3.6550   0.6659   1.3171   1.2242  372.062   34.811  221.817   81.624 150.2451 88.73660 
1 1 1   21   16   43 o  227.164   36.171   1.1425   0.3764   0.7658   0.4304   2.3662   0.7758  165.575   47.860  288.752   54.249 -123.1769 72.34261 
1 1 1   21   16   45 o  258.863   51.053   1.9106   0.6553   1.9106   0.6553   0.0000   0.0000  258.863   51.053  ?   ?       ?      ? 
1 1 1   21   16   47 o  358.154   48.080   4.2793   0.7852   4.9863   0.9602   2.8515   1.3644  425.916   43.848  290.392   85.581 135.5248 96.15997 
1 1 1   21   16   49 o  226.715   44.241   1.6203   0.5164   1.6881   0.6231   1.4714   0.9228  238.919   52.187  214.511   71.454 24.40828 88.48190 
1 1 1   21   17    0 o  133.517   76.526   0.5878   0.8331   0.5878   0.8331   0.0000   0.0000  133.517   76.526  133.517   76.526 0.000000 0.000000 
1 1 1   21   17    2 f  292.514   51.152   2.3624   0.7304   2.4916   0.8806   2.0776   1.3074  304.950   58.291  280.078   84.072 24.87250 102.3032 
1 1 1   21   17    4 o  1764.67   41.663   78.563   3.4288   75.615   4.0348   86.227   6.5053  1710.07   45.892  1819.27   69.551 -109.1965 83.32668 
1 1 1   21   17    6 o  1007.10   41.090   25.334   1.8874   24.247   2.1874   28.502   3.7339  968.500   43.930  1045.69   69.453 -77.19415 82.18002 
1 1 1   21   17    8 o  388.556   49.477   4.3197   0.8016   4.5953   0.9204   3.4533   1.6318  421.659   42.455  355.453   89.384 66.20654 98.95425 
1 1 1   21   17   10 o  1512.80   41.743   60.390   2.3955   60.850   2.6243   58.093   5.8657  1535.90   33.234  1489.70   76.587 46.19507 83.48653 
1 1 1   21   17   12 o  1171.81   37.382   32.243   1.7464   30.466   1.9115   41.221   4.2962  1086.53   34.218  1257.08   66.474 -170.5575 74.76408 
1 1 1   21   17   14 f  769.130   41.519   14.936   1.3703   14.566   1.5481   16.272   2.9445  750.477   40.124  787.784   72.700 -37.30670 83.03762 
1 1 1   21   17   16 o  885.758   41.094   20.315   1.8714   20.315   1.8714   0.0000   0.0000  885.758   41.094  ?   ?       ?      ? 
1 1 1   21   17   18 o  678.743   38.416   11.205   1.0286   10.781   1.1265   13.329   2.5224  645.761   33.929  711.726   68.935 -65.96497 76.83221 
1 1 1   21   17   20 o  794.874   40.493   16.019   1.4355   15.507   1.6482   17.625   2.9211  772.911   41.478  816.837   69.558 -43.92560 80.98563 
1 1 1   21   17   22 o  437.789   51.426   6.2144   0.7795   6.7284   0.8578   3.7793   1.8670  509.833   32.726  365.746   97.507 144.0876 102.8526 
1 1 1   21   17   24 o  248.614   42.468   1.6727   0.4334   1.6963   0.4736   1.5512   1.0757  255.638   36.031  241.591   76.916 14.04742 84.93661 
1 1 1   21   17   26 o  748.633   39.175   14.483   1.3571   14.095   1.5938   15.506   2.5880  734.841   42.187  762.425   66.023 -27.58405 78.35043 
1 1 1   21   17   28 o  1238.87   36.547   39.042   1.8887   38.025   2.1120   43.104   4.2208  1209.24   33.971  1268.50   64.720 -59.25513 73.09358 
1 1 1   21   17   30 o  533.048   48.492   8.7450   1.0616   9.9258   1.2590   5.8392   1.9750  615.730   39.771  450.365   88.453 165.3649 96.98331 
1 1 1   21   17   32 o  295.973   70.347   2.4891   1.0547   2.4891   1.0547   0.0000   0.0000  295.973   70.347  ?   ?       ?      ? 
1 1 1   21   17   34 o  444.420   40.479   5.0801   0.8517   4.7085   1.0078   6.0084   1.5930  420.983   46.562  467.858   66.228 -46.87491 80.95753 
1 1 1   21   17   36 f  391.703   33.218   3.4019   0.5879   2.7478   0.6654   5.7270   1.2546  322.471   40.136  460.936   52.942 -138.4652 66.43610 
1 1 1   21   17   38 o  252.094   43.136   1.5525   0.4492   1.4001   0.4939   2.2813   1.0800  225.661   44.152  278.527   74.117 -52.86658 86.27121 
1 1 1   21   17   40 o  321.103   46.253   3.1630   0.6962   3.5613   0.8476   2.3367   1.2208  364.243   45.262  277.964   80.676 86.27820 92.50580 
1 1 1   21   17   42 o  436.399   33.777   4.0428   0.6546   3.0634   0.7336   7.8687   1.4500  337.770   42.247  535.027   52.713 -197.2569 67.55344 
1 1 1   21   17   44 o  332.487   47.774   3.0309   0.8167   3.0309   0.8167   0.0000   0.0000  332.487   47.774  ?   ?       ?      ? 
1 1 1   21   17   46 o  339.835   43.537   3.2096   0.6945   2.8919   0.8318   3.9409   1.2620  321.753   50.282  357.918   71.089 -36.16519 87.07408 
1 1 1   21   17   48 o  231.696   40.777   1.7734   0.4568   1.9636   0.5179   1.1075   0.9691  268.776   37.479  194.616   72.431 74.16039 81.55353 
1 1 1   21   18    1 o  437.839   56.423   5.1484   1.2321   5.9958   1.7332   4.2825   1.7519  479.496   70.304  396.182   88.270 83.31439 112.8459 
1 1 1   21   18    3 o  503.747   47.389   6.6883   1.1122   6.8005   1.3254   6.4214   2.0445  512.417   50.311  495.078   80.323 17.33823 94.77891 
1 1 1   21   18    5 o  413.669   45.107   4.3713   0.8322   4.1981   0.9698   4.8554   1.6210  402.783   46.832  424.555   77.105 -21.77142 90.21365 
1 1 1   21   18    7 o  960.614   41.823   23.140   1.8159   22.270   2.0962   25.757   3.6346  928.001   43.936  993.227   71.177 -65.22571 83.64527 
1 1 1   21   18    9 o  437.937   39.392   3.9235   0.7740   2.9449   0.8723   7.5494   1.6789  337.104   50.329  538.771   60.612 -201.6675 78.78343 
1 1 1   21   18   11 o  469.266   43.924   5.5920   0.8495   5.4968   0.9472   5.9832   1.9202  461.142   39.954  477.391   78.236 -16.24969 87.84770 
1 1 1   21   18   13 o  1150.15   39.492   34.212   2.3353   34.212   2.3353   0.0000   0.0000  1150.15   39.492  ?   ?       ?      ? 
1 1 1   21   18   15 o  628.626   33.560   10.209   1.0847   10.209   1.0847   0.0000   0.0000  628.626   33.560  ?   ?       ?      ? 
1 1 1   21   18   17 o  455.357   45.811   5.7130   0.7505   5.8067   0.8215   5.2406   1.8444  473.926   33.717  436.789   85.192 37.13708 91.62130 
1 1 1   21   18   19 o  622.963   41.593   9.8268   1.1362   9.5212   1.2943   10.853   2.3720  605.605   41.570  640.321   72.053 -34.71576 83.18516 
1 1 1   21   18   21 o  1327.05   38.406   44.815   2.0263   44.067   2.2350   48.272   4.8018  1304.59   33.322  1349.51   69.209 -44.91162 76.81293 
1 1 1   21   18   23 o  935.823   36.450   21.127   1.3979   20.025   1.5446   26.119   3.2866  878.797   34.187  992.850   64.386 -114.0529 72.89944 
1 1 1   21   18   25 o  451.298   36.682   4.7536   0.6868   4.3834   0.7585   6.4374   1.6178  410.685   35.923  491.911   63.968 -81.22583 73.36446 
1 1 1   21   18   27 o  704.877   41.556   13.358   1.3134   13.531   1.5305   12.877   2.5581  719.455   41.377  690.298   72.080 29.15668 83.11216 
1 1 1   21   18   29 o  368.042   49.934   4.6745   0.8050   5.7387   0.9485   1.9331   1.5224  468.355   39.390  267.729   91.772 200.6266 99.86832 
1 1 1   21   18   31 o  331.164   66.758   3.0755   1.0974   3.0755   1.0974   0.0000   0.0000  331.164   66.758  ?   ?       ?      ? 
1 1 1   21   18   33 o  221.824   39.794   1.1144   0.3858   0.9122   0.4304   1.9401   0.8698  182.037   45.976  261.611   64.965 -79.57375 79.58777 
1 1 1   21   18   35 o  222.314   40.725   1.2430   0.3926   1.1496   0.4359   1.6437   0.9027  204.747   42.791  239.882   69.304 -35.13557 81.45002 
1 1 1   21   18   37 o  338.202   40.677   2.7760   0.6444   2.2020   0.7563   4.2970   1.2312  280.898   54.337  395.506   60.548 -114.6077 81.35430 
1 1 1   21   18   39 o  236.401   39.970   1.8816   0.4632   2.2213   0.5244   0.6771   0.9876  290.228   35.144  182.574   71.799 107.6547 79.93906 
1 1 1   21   18   41 o  270.503   42.081   1.6040   0.4603   1.3056   0.5036   3.1211   1.1353  216.030   46.701  324.976   70.016 -108.9455 84.16206 
1 1 1   21   18   43 o  405.055   45.849   4.7993   0.8466   4.8813   1.0211   4.6187   1.5145  422.914   46.962  387.197   78.759 35.71725 91.69743 
1 1 1   21   18   45 o  175.223   37.203   0.9455   0.3735   1.1492   0.4341   0.3643   0.7332  201.994   43.111  148.452   60.643 53.54248 74.40516 
1 1 1   21   18   47 o  204.170   43.755   1.2759   0.4838   1.3419   0.5783   1.1222   0.8828  213.277   52.981  195.062   69.650 18.21498 87.51088 
1 1 1   21   19    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19    4 o  535.768   67.522   7.4840   1.8599   7.4840   1.8599   0.0000   0.0000  535.768   67.522  ?   ?       ?      ? 
1 1 1   21   19    6 o  942.446   46.062   22.268   2.1847   18.993   2.7656   27.703   3.5631  854.189   62.974  1030.70   67.240 -176.5149 92.12460 
1 1 1   21   19    8 o  601.048   46.289   9.1841   1.3815   8.5630   1.7177   10.322   2.3249  573.890   58.216  628.206   71.983 -54.31580 92.57742 
1 1 1   21   19   10 o  960.042   39.292   23.827   1.9394   23.827   1.9394   0.0000   0.0000  960.042   39.292  ?   ?       ?      ? 
1 1 1   21   19   12 o  767.698   33.657   15.220   1.3284   15.220   1.3284   0.0000   0.0000  767.698   33.657  ?   ?       ?      ? 
1 1 1   21   19   14 o  807.697   38.585   15.697   1.2316   15.021   1.3480   19.111   3.0297  762.361   34.393  853.034   69.081 -90.67297 77.16928 
1 1 1   21   19   16 o  972.452   44.476   25.835   1.8606   26.793   2.1393   22.861   3.7693  1016.57   40.933  928.331   78.975 88.24139 88.95282 
1 1 1   21   19   18 o  830.905   39.200   17.481   1.2855   17.162   1.4143   18.994   3.0825  814.396   33.779  847.414   70.751 -33.01794 78.40098 
1 1 1   21   19   20 o  1185.44   41.644   36.661   2.1734   36.398   2.4950   37.487   4.4256  1183.46   41.007  1187.43   72.493 -3.964844 83.28719 
1 1 1   21   19   22 o  628.376   42.169   10.816   1.0174   11.038   1.1229   9.7989   2.4045  652.590   33.469  604.162   77.412 48.42792 84.33762 
1 1 1   21   19   24 o  275.755   45.130   2.3992   0.4994   2.5875   0.5425   1.3536   1.2781  315.777   33.414  235.733   83.846 80.04387 90.25912 
1 1 1   21   19   26 o  447.970   41.788   5.1734   0.8421   5.0069   0.9719   5.6749   1.6865  437.371   43.222  458.568   71.532 -21.19684 83.57633 
1 1 1   21   19   28 o  308.375   39.950   1.9210   0.5505   1.2503   0.6220   4.3435   1.1821  212.973   56.046  403.778   56.945 -190.8051 79.89912 
1 1 1   21   19   30 o  546.050   59.792   8.0186   1.6786   8.0186   1.6786   0.0000   0.0000  546.050   59.792  ?   ?       ?      ? 
1 1 1   21   19   32 o  292.865   41.673   2.1938   0.4961   2.0879   0.5500   2.6560   1.1490  282.015   37.932  303.715   74.214 -21.69958 83.34588 
1 1 1   21   19   34 o  257.918   39.823   1.4676   0.4285   1.1939   0.4741   2.6888   1.0015  208.157   45.561  307.680   65.328 -99.52342 79.64668 
1 1 1   21   19   36 o  526.647   49.058   9.0352   0.9506   9.9758   1.0803   5.8075   2.0012  616.413   34.087  436.880   92.004 179.5327 98.11573 
1 1 1   21   19   38 o  234.824   38.174   0.9938   0.3702   0.6638   0.4027   2.7899   0.9395  156.008   46.623  313.639   60.458 -157.6311 76.34708 
1 1 1   21   19   40 o  318.001   42.118   2.5977   0.6110   2.2709   0.7115   3.5153   1.1923  289.650   47.776  346.352   69.377 -56.70206 84.23589 
1 1 1   21   19   42 o  238.213   42.470   1.2342   0.4922   0.7013   0.5663   2.8803   0.9953  162.817   55.963  313.609   63.897 -150.7916 84.93916 
1 1 1   21   19   44 o  245.645   38.735   1.6244   0.4892   1.6244   0.4892   0.0000   0.0000  245.645   38.735  ?   ?       ?      ? 
1 1 1   21   19   46 o  200.775   41.733   1.2785   0.4604   1.4681   0.5376   0.7564   0.8921  226.085   47.747  175.466   68.461 50.61919 83.46659 
1 1 1   21   19   48 o  259.139   43.721   2.0940   0.5265   2.1440   0.6059   1.9400   1.0635  277.936   42.402  240.341   76.474 37.59468 87.44226 
1 1 1   21   20    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20    3 o  641.715   72.450   10.769   2.3903   10.769   2.3903   0.0000   0.0000  641.715   72.450  ?   ?       ?      ? 
1 1 1   21   20    5 o  1059.90   49.876   29.646   2.6838   31.593   3.6024   27.218   4.0234  1101.02   63.640  1018.78   76.814 82.23517 99.75201 
1 1 1   21   20    7 o  213.057   52.793   1.2250   0.5753   1.2250   0.5753   0.0000   0.0000  213.057   52.793  ?   ?       ?      ? 
1 1 1   21   20    9 o  1048.49   36.939   28.410   1.9912   28.410   1.9912   0.0000   0.0000  1048.49   36.939  ?   ?       ?      ? 
1 1 1   21   20   11 o  798.411   38.626   15.054   1.2166   14.273   1.3286   19.110   3.0274  743.230   34.769  853.593   68.985 -110.3629 77.25186 
1 1 1   21   20   13 o  628.726   40.551   9.8748   0.9829   9.6556   1.0736   11.011   2.4439  611.190   34.165  646.262   73.554 -35.07202 81.10141 
1 1 1   21   20   15 o  491.150   41.401   6.0639   0.7757   5.9450   0.8456   6.6951   1.9484  479.419   34.307  502.879   75.360 -23.45993 82.80119 
1 1 1   21   20   17 o  371.553   51.000   4.3491   0.6719   4.6257   0.7303   2.8247   1.7146  422.796   33.598  320.309   96.307 102.4870 101.9991 
1 1 1   21   20   19 o  463.935   41.139   5.1589   0.8438   4.7326   0.9553   6.6713   1.7993  426.415   43.576  501.455   69.791 -75.04001 82.27848 
1 1 1   21   20   21 o  658.697   48.527   12.696   1.3126   13.686   1.5042   9.5336   2.6872  725.297   40.338  592.097   88.275 133.2000 97.05476 
1 1 1   21   20   23 o  298.483   45.157   2.3894   0.5974   2.3703   0.6855   2.4497   1.2182  301.177   44.272  295.788   78.719 5.388977 90.31464 
1 1 1   21   20   25 f  545.529   42.306   7.5036   1.0283   7.1139   1.1761   8.7691   2.1193  521.230   43.886  569.828   72.340 -48.59747 84.61139 
1 1 1   21   20   27 o  481.872   37.953   5.0658   0.8399   3.8670   0.9593   9.0001   1.7379  382.843   48.740  580.901   58.191 -198.0578 75.90585 
1 1 1   21   20   29 o  206.845   61.564   1.1732   0.7033   1.1732   0.7033   0.0000   0.0000  206.845   61.564  ?   ?       ?      ? 
1 1 1   21   20   31 o  253.012   42.830   2.0565   0.4868   2.2925   0.5405   1.0426   1.1205  295.933   35.527  210.092   77.945 85.84177 85.65930 
1 1 1   21   20   33 o  264.576   42.660   1.8565   0.4721   1.8076   0.5236   2.0695   1.0926  261.962   38.873  267.190   75.949 -5.228302 85.31901 
1 1 1   21   20   35 o  490.814   39.669   6.4867   0.8101   6.4473   0.9110   6.6354   1.7711  495.113   35.790  486.515   70.808 8.597626 79.33878 
1 1 1   21   20   37 o  217.457   43.662   1.1748   0.4544   0.9875   0.5206   1.7744   0.9314  187.961   52.074  246.952   70.097 -58.99155 87.32313 
1 1 1   21   20   39 o  353.445   45.994   3.5424   0.7391   3.5105   0.8770   3.6206   1.3733  360.564   47.307  346.327   78.892 14.23721 91.98819 
1 1 1   21   20   41 o  220.317   49.070   1.3888   0.6315   1.0130   0.8620   1.8242   0.9278  193.748   68.864  246.886   69.923 -53.13786 98.14027 
1 1 1   21   20   43 o  129.120   43.711   0.4311   0.3453   0.4311   0.3453   0.0000   0.0000  129.120   43.711  ?   ?       ?      ? 
1 1 1   21   20   45 o  348.405   48.452   3.8110   0.6577   3.8952   0.7295   3.4457   1.5201  379.965   37.346  316.845   89.419 63.12012 96.90389 
1 1 1   21   20   47 o  227.934   43.858   1.3704   0.4931   0.9961   0.5794   2.3544   0.9395  182.904   56.191  272.964   67.355 -90.05949 87.71618 
1 1 1   21   21    0 o  1087.33   74.929   31.125   4.1430   31.125   4.1430   0.0000   0.0000  1087.33   74.929  1087.33   74.929 0.000000 0.000000 
1 1 1   21   21    2 o  1009.77   52.730   26.761   2.7180   22.789   3.7822   31.003   3.9086  930.992   79.019  1088.55   69.840 -157.5570 105.4592 
1 1 1   21   21    4 o  737.958   51.109   14.137   1.9391   14.137   1.9391   0.0000   0.0000  737.958   51.109  ?   ?       ?      ? 
1 1 1   21   21    6 o  803.232   47.108   17.721   1.7098   18.816   2.0270   15.021   3.1835  851.975   46.275  754.490   82.068 97.48535 94.21584 
1 1 1   21   21    8 o  949.381   39.134   21.372   1.5315   20.099   1.6925   27.119   3.5969  881.667   37.339  1017.10   68.786 -135.4295 78.26718 
1 1 1   21   21   10 o  471.017   44.863   5.6205   0.9130   5.4683   1.0342   6.1582   1.9438  459.230   43.804  482.805   78.308 -23.57523 89.72664 
1 1 1   21   21   12 o  734.308   42.761   14.004   1.1816   13.954   1.2888   14.269   2.9591  734.659   34.122  733.956   78.419 0.7028198 85.52103 
1 1 1   21   21   14 o  1002.98   40.203   25.449   1.5715   24.998   1.7233   27.676   3.8296  983.019   34.097  1022.94   72.818 -39.91705 80.40554 
1 1 1   21   21   16 o  963.621   43.993   24.637   1.8377   24.829   2.1032   24.018   3.7788  977.638   41.843  949.605   77.400 28.03308 87.98639 
1 1 1   21   21   18 o  261.475   45.753   1.7197   0.5331   1.5927   0.6038   2.1686   1.1353  242.586   50.073  280.365   76.591 -37.77921 91.50656 
1 1 1   21   21   20 o  462.867   51.629   6.2351   0.9500   6.5678   1.0790   5.0878   2.0037  502.185   41.790  423.549   94.423 78.63605 103.2575 
1 1 1   21   21   22 o  193.977   42.792   0.5935   0.3807   0.3700   0.4137   1.8293   0.9728  130.740   47.549  257.215   71.160 -126.4755 85.58366 
1 1 1   21   21   24 o  405.597   39.289   3.9293   0.6369   3.7000   0.6978   5.0737   1.5590  377.034   36.000  434.159   69.845 -57.12579 78.57740 
1 1 1   21   21   26 o  278.175   45.312   1.5077   0.5384   1.0436   0.5942   3.6354   1.2723  195.656   56.143  360.695   71.138 -165.0394 90.62360 
1 1 1   21   21   28 o  407.749   43.120   4.3739   0.9040   4.3739   0.9040   0.0000   0.0000  407.749   43.120  ?   ?       ?      ? 
1 1 1   21   21   30 o  163.267   38.428   0.6571   0.3433   0.6363   0.3971   0.7187   0.6832  154.053   46.352  172.481   61.305 -18.42734 76.85622 
1 1 1   21   21   32 o  385.254   34.309   2.7836   0.5523   2.0632   0.6035   6.4949   1.3698  279.360   42.021  491.149   54.247 -211.7891 68.61812 
1 1 1   21   21   34 o  787.084   37.192   15.677   1.2400   14.924   1.3892   18.628   2.7500  753.359   35.867  820.809   65.165 -67.44946 74.38364 
1 1 1   21   21   36 o  432.691   44.991   5.5483   0.7535   5.7725   0.8489   4.7161   1.6356  468.215   35.266  397.168   82.783 71.04727 89.98190 
1 1 1   21   21   38 o  230.063   41.333   1.4980   0.4323   1.5047   0.4896   1.4743   0.9208  234.196   42.214  225.931   71.076 8.264496 82.66663 
1 1 1   21   21   40 o  241.901   41.615   1.8679   0.4695   2.0676   0.5290   1.1276   1.0187  278.846   36.901  204.955   74.603 73.89067 83.23038 
1 1 1   21   21   42 o  165.356   42.896   0.7677   0.3678   0.7677   0.3678   0.0000   0.0000  165.356   42.896  ?   ?       ?      ? 
1 1 1   21   21   44 o  208.390   43.052   1.0050   0.4043   0.7997   0.4465   1.9386   0.9521  167.439   48.848  249.342   70.906 -81.90321 86.10385 
1 1 1   21   21   46 o  133.035   36.555   0.3997   0.3308   0.4969   0.3689   0.0000   0.7480  135.447   45.178  130.623   57.481 4.823822 73.11064 
1 1 1   21   22    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22    3 o  580.166   51.868   8.7489   1.5471   8.7489   1.5471   0.0000   0.0000  580.166   51.868  ?   ?       ?      ? 
1 1 1   21   22    5 o  569.214   36.906   8.3776   1.0800   8.3776   1.0800   0.0000   0.0000  569.214   36.906  ?   ?       ?      ? 
1 1 1   21   22    7 o  571.922   37.235   8.4610   1.0948   8.4610   1.0948   0.0000   0.0000  571.922   37.235  ?   ?       ?      ? 
1 1 1   21   22    9 o  369.815   47.935   3.6510   0.6815   3.6460   0.7510   3.6743   1.6211  375.239   38.930  364.391   87.609 10.84790 95.86901 
1 1 1   21   22   11 o  181.776   44.174   0.7538   0.4100   0.7542   0.4489   0.7514   1.0064  168.538   48.924  195.014   73.566 -26.47591 88.34864 
1 1 1   21   22   13 o  221.696   44.843   1.4160   0.5187   1.6253   0.5952   0.7558   1.0572  245.601   48.859  197.791   75.208 47.81001 89.68577 
1 1 1   21   22   15 o  483.621   44.405   6.0436   0.9438   5.9374   1.0799   6.3871   1.9419  477.738   43.968  489.504   77.163 -11.76608 88.81086 
1 1 1   21   22   17 o  301.419   44.752   1.8906   0.5635   1.4739   0.6232   3.7594   1.3198  232.703   53.242  370.136   71.946 -137.4331 89.50378 
1 1 1   21   22   19 o  341.311   48.381   3.2429   0.6931   3.3133   0.7844   2.9918   1.4806  356.534   42.790  326.087   86.787 30.44751 96.76247 
1 1 1   21   22   21 o  266.291   43.934   1.5290   0.4307   1.3734   0.4601   2.6327   1.2253  226.146   41.084  306.437   77.672 -80.29027 87.86871 
1 1 1   21   22   23 o  850.052   41.918   19.529   1.3642   19.705   1.5005   18.692   3.2764  870.794   33.516  829.310   76.844 41.48401 83.83543 
1 1 1   21   22   25 o  310.035   40.711   1.6829   0.5398   1.0053   0.5943   4.8786   1.2907  192.462   56.415  427.608   58.710 -235.1464 81.42150 
1 1 1   21   22   27 o  487.184   61.762   6.3925   1.5470   6.3925   1.5470   0.0000   0.0000  487.184   61.762  ?   ?       ?      ? 
1 1 1   21   22   29 o  313.416   43.607   2.3348   0.6029   1.9160   0.6880   3.7213   1.2517  263.651   52.598  363.181   69.568 -99.52994 87.21407 
1 1 1   21   22   31 o  396.737   48.666   4.8477   0.7196   5.1097   0.7993   3.7279   1.6525  441.502   35.214  351.972   90.739 89.52991 97.33231 
1 1 1   21   22   33 o  720.122   42.341   14.776   1.2126   15.197   1.3575   13.110   2.6980  760.871   34.702  679.372   77.245 81.49902 84.68176 
1 1 1   21   22   35 o  514.514   40.196   7.1020   0.8564   7.0151   0.9603   7.4400   1.8936  515.917   36.203  513.111   71.779 2.805420 80.39172 
1 1 1   21   22   37 o  177.831   40.447   0.6179   0.4059   0.2830   0.4762   1.5071   0.7760  127.108   49.898  228.554   63.671 -101.4458 80.89338 
1 1 1   21   22   39 o  207.980   43.780   1.3158   0.4918   1.4925   0.5653   0.7655   0.9975  230.307   49.237  185.653   72.406 44.65404 87.56073 
1 1 1   21   22   41 o  212.481   42.148   1.2563   0.4442   1.2563   0.4442   0.0000   0.0000  212.481   42.148  ?   ?       ?      ? 
1 1 1   21   22   43 o  344.580   46.701   3.7499   0.6424   3.9097   0.7217   3.1406   1.4094  381.533   36.792  307.627   85.849 73.90579 93.40120 
1 1 1   21   22   45 o  151.296   37.816   0.3442   0.2896   0.1887   0.3147   1.2064   0.7410  102.944   40.514  199.649   63.865 -96.70439 75.63148 
1 1 1   21   23    0 o  540.279   58.638   7.8206   1.5802   0.0000   0.0000   7.8206   1.5802  540.279   58.638  540.279   58.638 0.000000 0.000000 
1 1 1   21   23    2 o  894.294   36.208   21.091   1.6137   19.558   2.5702   22.088   2.0733  865.657   57.749  922.930   43.694 -57.27319 72.41657 
1 1 1   21   23    4 o  902.192   31.543   21.103   1.4625   20.391   2.0366   21.860   2.1015  886.486   44.685  917.897   44.532 -31.41162 63.08596 
1 1 1   21   23    6 o  1649.80   41.024   67.079   3.0792   62.829   3.5502   79.985   6.1865  1555.87   44.383  1743.72   69.008 -187.8484 82.04852 
1 1 1   21   23    8 o  651.478   71.181   11.196   2.3842   11.196   2.3842   0.0000   0.0000  651.478   71.181  ?   ?       ?      ? 
1 1 1   21   23   10 o  306.993   46.883   2.4521   0.7400   2.4521   0.7400   0.0000   0.0000  306.993   46.883  ?   ?       ?      ? 
1 1 1   21   23   12 o  1020.92   43.368   27.093   2.2763   27.093   2.2763   0.0000   0.0000  1020.92   43.368  ?   ?       ?      ? 
1 1 1   21   23   14 o  504.711   51.405   7.2135   1.0423   7.4984   1.1853   6.2418   2.1889  536.911   42.941  472.512   93.413 64.39893 102.8098 
1 1 1   21   23   16 o  257.630   47.047   1.7316   0.5475   1.6744   0.6188   1.9382   1.1750  248.746   50.119  266.514   79.634 -17.76878 94.09325 
1 1 1   21   23   18 o  210.876   49.101   1.0486   0.6010   0.7737   0.7468   1.5541   1.0126  181.434   64.138  240.319   74.362 -58.88419 98.20118 
1 1 1   21   23   20 o  370.908   38.585   3.0306   0.5615   2.7498   0.6084   4.6420   1.4576  325.193   36.393  416.622   68.051 -91.42929 77.17090 
1 1 1   21   23   22 o  437.255   41.144   4.6037   0.6919   4.3811   0.7516   5.8383   1.7703  410.286   35.633  464.223   74.173 -53.93668 82.28806 
1 1 1   21   23   24 o  289.054   47.379   2.1230   0.5813   1.9789   0.6488   2.7090   1.3085  270.157   48.497  307.952   81.408 -37.79538 94.75831 
1 1 1   21   23   26 o  331.960   43.941   2.9011   0.7499   2.9011   0.7499   0.0000   0.0000  331.960   43.941  ?   ?       ?      ? 
1 1 1   21   23   28 o  562.823   39.750   7.7511   0.8806   7.3592   0.9626   9.7607   2.1799  530.406   35.301  595.240   71.233 -64.83380 79.50031 
1 1 1   21   23   30 o  490.845   36.379   5.3740   0.7434   4.7231   0.8174   8.4879   1.7878  423.954   37.502  557.735   62.349 -133.7807 72.75847 
1 1 1   21   23   32 o  280.818   40.356   1.7421   0.4509   1.4805   0.4926   3.0940   1.1198  232.967   42.700  328.670   68.491 -95.70322 80.71116 
1 1 1   21   23   34 o  425.222   38.190   4.0099   0.6719   3.4846   0.7366   6.6101   1.6390  362.826   39.490  487.619   65.378 -124.7934 76.37904 
1 1 1   21   23   36 o  288.641   49.471   2.4197   0.6689   2.4538   0.7726   2.3174   1.3367  301.124   49.904  276.158   85.436 24.96637 98.94282 
1 1 1   21   23   38 o  180.844   41.889   0.7482   0.3494   0.6738   0.3788   1.1738   0.9059  156.112   44.831  205.577   70.775 -49.46535 83.77852 
1 1 1   21   23   40 o  340.332   37.188   3.0917   0.6507   3.0917   0.6507   0.0000   0.0000  340.332   37.188  ?   ?       ?      ? 
1 1 1   21   23   42 o  127.511   36.319   0.2472   0.2782   0.2196   0.3015   0.4048   0.7212  104.992   40.106  150.030   60.563 -45.03790 72.63831 
1 1 1   21   23   44 o  276.646   45.912   2.0095   0.5174   1.8342   0.5662   2.8954   1.2731  258.437   42.616  294.855   81.336 -36.41861 91.82394 
1 1 1   21   23   46 o  325.659   48.339   3.1562   0.7024   2.9604   0.8095   3.7527   1.4129  322.620   48.804  328.699   83.456 -6.079224 96.67846 
1 1 1   21   24    1 o  937.980   31.573   22.851   1.5222   23.236   2.1423   22.459   2.1633  946.075   44.043  929.885   45.251 16.19031 63.14593 
1 1 1   21   24    3 o  318.056   47.075   2.6850   0.6734   2.7588   1.3291   2.6595   0.7810  316.325   81.287  319.786   47.503 -3.460815 94.14925 
1 1 1   21   24    5 o  564.565   77.006   8.4519   2.2352   0.0000   0.0000   8.4519   2.2352  ?   ?   564.565   77.006      ?      ? 
1 1 1   21   24    7 o  183.300   48.775   0.9058   0.4677   0.0000   0.0000   0.9058   0.4677  ?   ?   183.300   48.775      ?      ? 
1 1 1   21   24    9 o  323.323   43.530   2.8952   0.6689   2.4890   1.1254   3.1170   0.8317  300.642   73.439  346.004   46.756 -45.36163 87.05960 
1 1 1   21   24   11 o  782.162   46.715   15.941   1.8786   15.941   1.8786   0.0000   0.0000  782.162   46.715  ?   ?       ?      ? 
1 1 1   21   24   13 o  466.779   45.119   5.6776   1.0828   5.6776   1.0828   0.0000   0.0000  466.779   45.119  ?   ?       ?      ? 
1 1 1   21   24   15 o  448.877   44.798   5.2556   1.0338   5.2556   1.0338   0.0000   0.0000  448.877   44.798  ?   ?       ?      ? 
1 1 1   21   24   17 o  790.616   42.719   16.304   1.7364   16.304   1.7364   0.0000   0.0000  790.616   42.719  ?   ?       ?      ? 
1 1 1   21   24   19 o  817.370   43.401   17.379   1.5510   17.046   1.7708   18.475   3.2145  807.790   42.639  826.950   75.608 -19.15997 86.80225 
1 1 1   21   24   21 f  481.722   41.475   5.6807   0.8922   5.2289   1.0162   7.2011   1.8641  446.676   44.251  516.768   70.162 -70.09158 82.95100 
1 1 1   21   24   23 o  399.884   57.541   4.9069   1.0995   5.8283   1.3675   3.2223   1.8490  467.786   56.859  331.981  100.054 135.8045 115.0817 
1 1 1   21   24   25 o  521.161   34.383   7.0858   0.9213   7.0858   0.9213   0.0000   0.0000  521.161   34.383  ?   ?       ?      ? 
1 1 1   21   24   27 o  270.319   44.595   2.5434   0.5420   2.9077   0.5961   0.8047   1.3023  333.488   34.767  207.151   82.134 126.3378 89.18965 
1 1 1   21   24   29 o  616.321   40.127   9.2562   1.1238   8.2373   1.2862   12.542   2.3098  557.294   44.892  675.349   66.524 -118.0548 80.25387 
1 1 1   21   24   31 o  382.125   39.584   3.0678   0.6051   2.6267   0.6557   5.5996   1.5710  315.215   40.459  449.035   68.048 -133.8199 79.16769 
1 1 1   21   24   33 o  241.969   44.323   1.4515   0.4303   1.3567   0.4656   2.0060   1.1264  222.655   42.219  261.281   77.945 -38.62613 88.64507 
1 1 1   21   24   35 o  916.598   41.694   23.208   1.5236   23.257   1.6951   23.005   3.4767  939.143   35.107  894.054   75.637 45.08887 83.38729 
1 1 1   21   24   37 o  545.432   50.044   9.1805   1.1522   9.9731   1.3650   7.2166   2.1487  609.344   43.572  481.519   90.106 127.8250 100.0885 
1 1 1   21   24   39 o  205.236   67.030   1.2130   0.8135   1.2130   0.8135   0.0000   0.0000  205.236   67.030  ?   ?       ?      ? 
1 1 1   21   24   41 o  225.232   43.829   1.3916   0.4269   1.3410   0.4668   1.6501   1.0553  218.869   43.021  231.596   76.376 -12.72685 87.65898 
1 1 1   21   24   43 o  354.782   48.412   4.0866   0.6818   4.2740   0.7647   3.3608   1.5050  397.721   37.399  311.842   89.310 85.87979 96.82458 
1 1 1   21   24   45 o  391.841   45.341   4.1952   0.7118   3.8745   0.7901   5.5764   1.6399  374.877   40.993  408.805   80.888 -33.92792 90.68256 
1 1 1   21   25    0 o  119.176   71.828   0.3696   0.8009   0.3696   0.8009   0.0000   0.0000  119.176   71.828  119.176   71.828 0.000000 0.000000 
1 1 1   21   25    2 o  461.204   59.014   5.8230   1.3515   7.1664   1.9265   4.5212   1.8965  520.391   72.006  402.017   93.518 118.3730 118.0272 
1 1 1   21   25    4 o  1050.82   53.525   29.527   2.8693   32.643   3.9852   26.173   4.1346  1111.33   69.749  990.308   81.208 121.0226 107.0494 
1 1 1   21   25    6 o  261.550   36.608   1.8475   0.4748   1.8970   0.6689   1.7973   0.6741  265.329   50.885  257.771   52.644 7.558105 73.21603 
1 1 1   21   25    8 o  344.326   35.346   3.1189   0.6207   2.8184   0.9062   3.3844   0.8519  328.178   53.709  360.475   45.965 -32.29761 70.69231 
1 1 1   21   25   10 o  369.241   49.482   3.8976   0.8131   3.2092   1.5283   4.1694   0.9604  338.622   87.244  399.861   46.715 -61.23907 98.96410 
1 1 1   21   25   12 o  908.496   46.720   21.544   2.1822   0.0000   0.0000   21.544   2.1822  ?   ?   908.496   46.720      ?      ? 
1 1 1   21   25   14 o  429.647   47.624   4.8274   1.0520   0.0000   0.0000   4.8274   1.0520  ?   ?   429.647   47.624      ?      ? 
1 1 1   21   25   16 o  104.968   42.069   0.1403   0.3453   0.0000   0.0000   0.1403   0.3453  ?   ?   104.968   42.069      ?      ? 
1 1 1   21   25   18 o  589.211   63.981   9.2596   1.9382   9.2596   1.9382   0.0000   0.0000  589.211   63.981  ?   ?       ?      ? 
1 1 1   21   25   20 o  205.610   52.249   1.1591   0.5535   1.1591   0.5535   0.0000   0.0000  205.610   52.249  ?   ?       ?      ? 
1 1 1   21   25   22 o  371.491   66.522   3.8211   1.2239   3.8211   1.2239   0.0000   0.0000  371.491   66.522  ?   ?       ?      ? 
1 1 1   21   25   24 o  735.639   42.431   14.229   1.6048   14.229   1.6048   0.0000   0.0000  735.639   42.431  ?   ?       ?      ? 
1 1 1   21   25   26 o  247.624   39.042   1.0214   0.4599   0.4597   0.5131   3.3160   1.0369  144.214   52.876  351.034   57.455 -206.8203 78.08337 
1 1 1   21   25   28 o  620.167   42.599   9.8796   1.1793   9.3248   1.3502   11.665   2.4219  593.191   44.274  647.143   72.791 -53.95258 85.19802 
1 1 1   21   25   30 o  638.657   44.801   11.651   1.0779   11.901   1.1875   10.480   2.5694  673.602   34.289  603.712   82.781 69.89008 89.60120 
1 1 1   21   25   32 o  496.652   45.888   7.0428   0.8491   7.1344   0.9394   6.6343   1.9843  520.824   35.082  472.480   84.805 48.34341 91.77505 
1 1 1   21   25   34 o  622.910   39.880   9.8033   1.0124   9.2969   1.1190   12.087   2.3763  593.169   36.692  652.651   70.820 -59.48254 79.76054 
1 1 1   21   25   36 o  311.178   49.923   2.9547   0.7019   3.0947   0.8055   2.5132   1.4304  338.621   46.271  283.735   88.478 54.88559 99.84683 
1 1 1   21   25   38 o  236.629   66.365   1.6614   0.8401   1.6614   0.8401   0.0000   0.0000  236.629   66.365  ?   ?       ?      ? 
1 1 1   21   25   40 o  185.415   41.405   0.9781   0.4003   1.0146   0.4512   0.8434   0.8676  188.903   46.719  181.927   68.372 6.975418 82.80959 
1 1 1   21   25   42 o  217.242   45.282   1.4153   0.4685   1.4428   0.5155   1.2847   1.1230  225.123   46.087  209.362   77.961 15.76158 90.56403 
1 1 1   21   25   44 o  223.428   44.103   1.4261   0.4512   1.3477   0.5038   1.7437   1.0140  215.850   46.751  231.006   74.797 -15.15657 88.20609 
1 1 1   21   26    1 o  774.801   42.116   14.937   1.4909   14.026   1.7244   17.635   2.9673  733.928   45.700  815.674   70.757 -81.74652 84.23177 
1 1 1   21   26    3 o  798.187   43.633   16.387   1.5607   15.998   1.8002   17.566   3.1313  783.978   44.663  812.396   74.970 -28.41791 87.26505 
1 1 1   21   26    5 o  764.659   47.209   15.988   1.5674   16.501   1.8079   14.437   3.1454  796.202   44.165  733.116   83.453 63.08630 94.41863 
1 1 1   21   26    7 o  415.846   37.666   4.7536   0.7368   5.1711   0.9037   3.9256   1.2726  446.197   39.395  385.494   64.211 60.70251 75.33260 
1 1 1   21   26    9 o  592.233   44.784   8.9796   1.1085   8.7754   1.2414   9.7832   2.4624  580.755   41.577  603.710   79.334 -22.95459 89.56857 
1 1 1   21   26   11 o  460.277   42.472   4.9826   0.8146   4.5980   0.9012   6.6983   1.9035  420.209   41.716  500.346   73.996 -80.13763 84.94473 
1 1 1   21   26   13 o  677.218   52.443   12.050   1.8033   10.715   2.3366   14.017   2.8359  632.694   71.834  721.742   76.426 -89.04791 104.8854 
1 1 1   21   26   15 o  213.340   52.375   1.2443   0.5702   0.0000   0.0000   1.2443   0.5702  ?   ?   213.340   52.375      ?      ? 
1 1 1   21   26   17 o  458.260   88.124   5.9515   2.0008   0.0000   0.0000   5.9515   2.0008  ?   ?   458.260   88.124      ?      ? 
1 1 1   21   26   19 o  397.899   60.218   4.2242   1.2319   0.0000   0.0000   4.2242   1.2319  ?   ?   397.899   60.218      ?      ? 
1 1 1   21   26   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26   23 o  278.263   65.798   2.1785   0.9265   2.1785   0.9265   0.0000   0.0000  278.263   65.798  ?   ?       ?      ? 
1 1 1   21   26   25 o  401.683   65.903   4.4056   1.3610   4.4056   1.3610   0.0000   0.0000  401.683   65.903  ?   ?       ?      ? 
1 1 1   21   26   27 o  643.746   49.347   11.370   1.6010   10.953   2.0564   12.011   2.5510  633.056   63.183  654.435   75.818 -21.37939 98.69392 
1 1 1   21   26   29 o  453.728   54.066   5.8584   1.2025   5.7417   1.5430   6.0389   1.9189  455.808   65.843  451.648   85.774 4.160278 108.1320 
1 1 1   21   26   31 o  586.329   58.993   10.720   1.5726   12.940   2.0295   7.3840   2.4879  688.591   57.328  484.067  103.123 204.5239 117.9867 
1 1 1   21   26   33 o  201.736   42.312   1.3016   0.4644   1.5380   0.5049   0.0000   1.1847  236.833   43.048  166.638   72.857 70.19498 84.62462 
1 1 1   21   26   35 o  208.594   44.136   1.2955   0.4857   1.4265   0.5547   0.8647   1.0062  225.414   49.238  191.774   73.264 33.63960 88.27275 
1 1 1   21   26   37 o  304.164   71.973   2.7884   1.1080   2.7884   1.1080   0.0000   0.0000  304.164   71.973  ?   ?       ?      ? 
1 1 1   21   26   39 o  274.581   45.518   1.7845   0.5689   1.2671   0.6485   3.5125   1.1850  208.100   58.288  341.062   69.929 -132.9625 91.03606 
1 1 1   21   26   41 o  236.089   42.216   1.9563   0.5596   2.4444   0.6433   0.4378   1.1346  299.389   41.791  172.789   73.364 126.6001 84.43177 
1 1 1   21   26   43 o  151.086   39.767   0.5679   0.3534   0.5938   0.3888   0.4445   0.8477  145.606   46.230  156.565   64.718 -10.95895 79.53420 
1 1 1   21   27    0 o  1032.47   45.988   26.934   2.3374   32.718   3.9714   23.868   2.8913  1112.53   70.070  952.412   59.581 0.000000 0.000000 
1 1 1   21   27    2 o  426.131   41.819   4.2871   0.8231   3.7385   0.9486   5.9582   1.6557  378.276   48.776  473.985   67.942 -95.70847 83.63755 
1 1 1   21   27    4 o  456.645   32.616   5.4412   0.7637   4.9416   1.0690   5.9620   1.0916  434.985   47.800  478.306   44.389 -43.32095 65.23186 
1 1 1   21   27    6 o  964.923   30.094   23.998   1.4821   22.292   1.9583   26.285   2.2677  925.598   41.151  1004.25   43.921 -78.64996 60.18722 
1 1 1   21   27    8 o  296.421   33.063   2.3688   0.4813   1.8699   0.6910   2.8389   0.6708  262.457   53.037  330.386   39.493 -67.92920 66.12613 
1 1 1   21   27   10 o  509.560   56.795   7.1401   1.4354   7.4209   1.9168   6.7814   2.1659  526.939   70.752  492.182   88.865 34.75705 113.5908 
1 1 1   21   27   12 o  172.249   42.613   0.7031   0.3769   0.7465   0.4062   0.4343   1.0107  166.380   45.962  178.119   71.769 -11.73898 85.22514 
1 1 1   21   27   14 o  673.280   46.910   12.036   1.3813   11.961   1.5830   12.274   2.8284  675.773   45.562  670.787   82.014 4.985718 93.81965 
1 1 1   21   27   16 o  595.179   51.149   9.4381   1.5148   9.0393   1.9000   10.134   2.5092  581.511   63.553  608.846   80.162 -27.33453 102.2978 
1 1 1   21   27   18 o  137.900   53.894   0.3188   0.5536   0.3188   0.5536   0.0000   0.0000  137.900   53.894  ?   ?       ?      ? 
1 1 1   21   27   20 f  151.130   55.064   0.5088   0.5552   0.5088   0.5552   0.0000   0.0000  151.130   55.064  ?   ?       ?      ? 
1 1 1   21   27   22 o  530.229   49.697   7.1803   1.3083   5.6234   1.6204   10.096   2.2174  453.563   69.489  606.895   71.067 -153.3319 99.39440 
1 1 1   21   27   24 o  234.471   65.789   1.5476   0.8254   1.5476   0.8254   0.0000   0.0000  234.471   65.789  ?   ?       ?      ? 
1 1 1   21   27   26 o  1086.96   42.595   31.251   2.3803   31.251   2.3803   0.0000   0.0000  1086.96   42.595  ?   ?       ?      ? 
1 1 1   21   27   28 o  166.383   63.529   0.5778   0.7563   0.5778   0.7563   0.0000   0.0000  166.383   63.529  ?   ?       ?      ? 
1 1 1   21   27   30 o  389.738   53.235   4.8009   0.8727   5.1954   1.0032   3.5732   1.7698  441.540   44.191  337.935   96.866 103.6050 106.4698 
1 1 1   21   27   32 o  608.052   47.439   10.585   1.2604   10.819   1.4599   9.9008   2.4972  635.860   44.659  580.243   83.711 55.61688 94.87829 
1 1 1   21   27   34 o  214.387   41.870   1.3628   0.4126   1.4476   0.4482   0.8913   1.0570  233.604   37.316  195.169   74.965 38.43498 83.73911 
1 1 1   21   27   36 o  266.865   73.724   2.1620   1.0450   2.1620   1.0450   0.0000   0.0000  266.865   73.724  ?   ?       ?      ? 
1 1 1   21   27   38 o  184.058   41.578   1.0143   0.4375   1.1781   0.4970   0.4511   0.9218  203.401   48.254  164.715   67.724 38.68660 83.15618 
1 1 1   21   27   40 o  448.802   48.049   6.0441   0.8224   6.0732   0.9167   5.9242   1.8613  474.729   37.558  422.875   88.455 51.85364 96.09804 
1 1 1   21   27   42 o  209.609   41.913   0.7101   0.4143   0.3060   0.4539   2.7262   1.0138  124.210   48.731  295.008   68.207 -170.7984 83.82635 
1 1 1   21   28    1 o  822.492   55.352   18.183   2.3150   14.892   3.1997   21.797   3.3536  741.726   83.906  903.258   72.215 -161.5316 110.7030 
1 1 1   21   28    3 o  181.813   34.333   0.8856   0.3357   0.6081   0.4686   1.1779   0.4810  155.208   50.880  208.418   46.113 -53.20941 68.66682 
1 1 1   21   28    5 o  771.836   30.111   15.376   1.1843   14.438   1.5565   16.665   1.8251  744.644   40.657  799.029   44.427 -54.38489 60.22270 
1 1 1   21   28    7 o  536.132   34.761   7.8496   0.9021   6.4513   1.4727   8.6892   1.1412  494.301   57.952  577.962   38.406 -83.66055 69.52268 
1 1 1   21   28    9 o  465.420   33.008   5.6735   0.7694   5.6596   1.2345   5.6823   0.9839  463.990   51.748  466.850   40.991 -2.859589 66.01626 
1 1 1   21   28   11 o  558.385   31.361   7.9878   0.8900   6.6046   1.1722   9.8702   1.3674  502.262   45.395  614.509   43.282 -112.2468 62.72168 
1 1 1   21   28   13 o  561.309   42.336   8.6500   1.1433   7.5127   1.9202   9.2746   1.4230  528.100   70.724  594.518   46.555 -66.41815 84.67182 
1 1 1   21   28   15 o  265.549   54.169   1.8091   0.7698   1.3022   0.9616   2.7132   1.2843  222.017   72.892  309.081   80.149 -87.06419 108.3380 
1 1 1   21   28   17 o  451.688   59.512   5.4530   1.3820   0.0000   0.0000   5.4530   1.3820  ?   ?   451.688   59.512      ?      ? 
1 1 1   21   28   19 o  538.418   33.006   7.6619   0.9106   7.8006   1.2456   7.5027   1.3347  544.295   44.511  532.541   48.747 11.75397 66.01130 
1 1 1   21   28   21 o  457.081   54.111   6.3573   0.9838   6.7563   1.1193   5.0022   2.0627  506.411   42.990  407.751   99.317 98.66022 108.2222 
1 1 1   21   28   23 o  251.350   50.755   1.8607   0.7368   2.4929   0.9502   0.9074   1.1668  297.497   64.022  205.203   78.774 92.29369 101.5098 
1 1 1   21   28   25 o  704.963   50.278   13.240   1.7738   11.416   2.2190   16.469   2.9521  643.472   67.074  766.454   74.917 -122.9818 100.5559 
1 1 1   21   28   27 o  738.337   83.111   15.706   3.1549   0.0000   0.0000   15.706   3.1549  ?   ?   738.337   83.111      ?      ? 
1 1 1   21   28   29 o  744.974   62.905   15.330   2.4093   15.330   2.4093   0.0000   0.0000  744.974   62.905  ?   ?       ?      ? 
1 1 1   21   28   31 o  307.021   48.058   2.5382   0.7586   2.5382   0.7586   0.0000   0.0000  307.021   48.058  ?   ?       ?      ? 
1 1 1   21   28   33 o   99.916   42.917   0.0000   0.3965   0.0000   0.3965   0.0000   0.0000   99.916   42.917  ?   ?       ?      ? 
1 1 1   21   28   35 o  391.203   46.432   4.1536   0.9339   4.1536   0.9339   0.0000   0.0000  391.203   46.432  ?   ?       ?      ? 
1 1 1   21   28   37 o  342.489   51.752   3.6795   0.7619   3.8018   0.8652   3.2571   1.6081  373.556   45.049  311.421   93.186 62.13498 103.5041 
1 1 1   21   28   39 o  198.248   43.389   0.9997   0.3814   0.9311   0.4124   1.4046   1.0023  180.943   44.615  215.552   74.431 -34.60934 86.77796 
1 1 1   21   28   41 o  266.152   47.899   2.2882   0.6189   2.4133   0.7099   1.8919   1.2633  293.952   46.975  238.353   83.490 55.59969 95.79747 
1 1 1   21   28   43 o  271.668   48.114   2.3181   0.5498   2.3106   0.5994   2.3581   1.3804  289.167   40.321  254.169   87.373 34.99835 96.22775 
1 1 1   21   29    0 o  150.210   84.227   0.8134   0.9800   0.0000   0.0000   0.8134   0.9800  150.210   84.227  150.210   84.227 -0.000000 0.000000 
1 1 1   21   29    2 o  656.109   48.143   12.263   1.3784   9.9314   2.6528   13.125   1.6133  603.446   85.505  708.773   44.273 -105.3272 96.28694 
1 1 1   21   29    4 o  1153.30   34.985   35.069   2.0482   33.752   3.1207   36.066   2.7147  1132.14   53.614  1174.46   44.959 -42.32251 69.96995 
1 1 1   21   29    6 o  818.828   34.985   17.416   1.4619   19.124   2.2394   16.148   1.9298  852.880   51.070  784.777   47.830 68.10272 69.97060 
1 1 1   21   29    8 o  834.202   34.751   18.189   1.4824   19.145   2.2361   17.438   1.9800  852.989   50.989  815.415   47.229 37.57422 69.50156 
1 1 1   21   29   10 o  500.930   35.214   6.5869   0.9025   6.7669   1.3515   6.4419   1.2126  506.598   51.888  495.263   47.621 11.33481 70.42821 
1 1 1   21   29   12 o  808.951   38.752   17.095   1.6005   15.027   2.1251   19.805   2.4331  753.177   54.879  864.724   54.728 -111.5465 77.50354 
1 1 1   21   29   14 o  660.767   65.889   11.752   2.2384   11.752   2.2384   0.0000   0.0000  660.767   65.889  ?   ?       ?      ? 
1 1 1   21   29   16 o  480.227   45.488   6.0706   1.1095   7.4926   1.7192   5.0558   1.4524  527.626   63.377  432.827   65.268 94.79837 90.97574 
1 1 1   21   29   18 o  503.017   33.182   6.6891   0.8572   6.7540   1.1883   6.6187   1.2377  505.920   45.686  500.114   48.136 5.805389 66.36469 
1 1 1   21   29   20 o  434.235   33.598   4.9954   0.7496   4.9103   1.0392   5.0877   1.0824  430.536   46.948  437.934   48.073 -7.397583 67.19508 
1 1 1   21   29   22 o  545.290   32.960   7.8778   0.9208   7.7060   1.2456   8.0847   1.3672  539.367   44.919  551.213   48.245 -11.84570 65.91903 
1 1 1   21   29   24 o  541.185   32.516   7.7318   0.9005   6.7928   1.2206   8.8529   1.3338  504.992   47.014  577.379   44.931 -72.38724 65.03162 
1 1 1   21   29   26 o  617.109   41.628   8.7393   1.1549   7.2245   1.3054   14.192   2.4768  519.287   48.897  714.932   67.385 -195.6450 83.25620 
1 1 1   21   29   28 o  692.401   50.331   13.200   1.7560   12.024   2.2353   15.095   2.8381  657.193   66.155  727.609   75.870 -70.41510 100.6615 
1 1 1   21   29   30 o  291.833   56.921   2.6760   0.8973   3.1160   1.1238   1.9018   1.4907  327.529   68.917  256.137   90.610 71.39197 113.8412 
1 1 1   21   29   32 o  344.424   74.047   3.5282   1.2722   3.5282   1.2722   0.0000   0.0000  344.424   74.047  ?   ?       ?      ? 
1 1 1   21   29   34 o  331.431   47.981   2.9916   0.8176   2.9916   0.8176   0.0000   0.0000  331.431   47.981  ?   ?       ?      ? 
1 1 1   21   29   36 o  144.285   51.305   0.5223   0.4785   0.5223   0.4785   0.0000   0.0000  144.285   51.305  ?   ?       ?      ? 
1 1 1   21   29   38 o  287.924   50.239   2.9377   0.7390   3.3988   0.8457   1.4481   1.5200  350.939   46.872  224.909   88.875 126.0300 100.4774 
1 1 1   21   29   40 o  200.080   44.644   0.8390   0.3663   0.6934   0.3897   1.9436   1.0734  156.038   45.665  244.123   76.728 -88.08498 89.28869 
1 1 1   21   29   42 o  217.035   42.151   1.5420   0.4471   1.6575   0.4911   0.9820   1.0813  245.660   38.884  188.410   74.798 57.24980 84.30115 
1 1 1   21   30    1 o  133.772   48.653   0.3892   0.4331   0.3892   0.4331   0.0000   0.0000  133.772   48.653  ?   ?       ?      ? 
1 1 1   21   30    3 o  176.959   38.750   0.8052   0.3993   1.0933   0.5743   0.5356   0.5555  200.189   54.388  153.729   55.211 46.46005 77.50037 
1 1 1   21   30    5 o  295.873   47.662   2.2000   0.6924   3.4613   1.1926   1.5588   0.8503  353.981   68.004  237.765   66.799 116.2156 95.32408 
1 1 1   21   30    7 o  358.187   40.893   3.4160   0.7313   2.8974   0.9858   4.0507   1.0906  324.998   61.247  391.376   54.203 -66.37756 81.78687 
1 1 1   21   30    9 o  438.157   39.838   5.0619   0.8943   4.5678   1.2129   5.6507   1.3239  414.740   56.882  461.573   55.790 -46.83328 79.67500 
1 1 1   21   30   11 o  573.583   39.632   8.7275   1.1641   8.5702   1.5718   8.9185   1.7323  568.619   53.766  578.548   58.240 -9.929016 79.26334 
1 1 1   21   30   13 o  492.173   35.124   6.1459   0.8522   5.5580   1.0452   7.3122   1.4721  459.874   44.207  524.472   54.595 -64.59845 70.24854 
1 1 1   21   30   15 o  823.408   42.223   18.725   1.6643   16.552   2.8337   19.869   2.0563  778.884   70.765  867.932   46.083 -89.04822 84.44697 
1 1 1   21   30   17 o  202.111   37.622   1.1324   0.3990   1.2923   0.5545   0.9608   0.5745  216.430   50.718  187.792   55.583 28.63809 75.24417 
1 1 1   21   30   19 o  298.952   36.323   2.4222   0.5449   2.5700   0.7634   2.2688   0.7781  311.167   47.716  286.736   54.777 24.43079 72.64510 
1 1 1   21   30   21 o  214.348   40.773   1.2816   0.4584   1.2351   0.6278   1.3347   0.6710  210.380   56.742  218.315   58.568 -7.935196 81.54671 
1 1 1   21   30   23 o  677.317   32.347   12.122   1.1223   11.229   1.5105   13.221   1.6767  649.948   45.203  704.687   46.281 -54.73871 64.69334 
1 1 1   21   30   25 o  649.474   32.806   11.262   1.0905   11.280   1.4755   11.241   1.6186  651.218   44.071  647.729   48.606 3.488281 65.61115 
1 1 1   21   30   27 f  344.421   47.189   3.8736   0.7767   1.8116   1.2653   5.1202   0.9838  250.470   83.676  438.372   43.652 -187.9022 94.37771 
1 1 1   21   30   29 o  851.731   33.556   19.799   1.4455   22.034   1.9610   17.139   2.1390  909.318   41.946  794.143   52.390 115.1751 67.11289 
1 1 1   21   30   31 o  420.118   56.604   4.8354   1.1626   3.5042   1.4346   7.3816   1.9841  337.401   83.222  502.835   76.748 -165.4342 113.2086 
1 1 1   21   30   33 o  541.357   67.609   8.4246   1.8817   8.4246   1.8817   0.0000   0.0000  541.357   67.609  ?   ?       ?      ? 
1 1 1   21   30   35 f  341.986   63.059   3.8990   1.1116   4.1360   1.4060   3.5039   1.8154  365.947   77.163  318.024   99.758 47.92291 126.1180 
1 1 1   21   30   37 o  530.221   69.750   8.3978   1.9014   8.3978   1.9014   0.0000   0.0000  530.221   69.750  ?   ?       ?      ? 
1 1 1   21   30   39 o  329.847   46.917   3.0326   0.7956   3.0326   0.7956   0.0000   0.0000  329.847   46.917  ?   ?       ?      ? 
1 1 1   21   30   41 o  122.888   37.033   0.1250   0.2555   0.0855   0.2685   0.5043   0.8314   88.416   36.475  157.360   64.463 -68.94408 74.06675 
1 1 1   21   31    0 o  190.891   73.114   1.2959   0.6776   1.2959   0.6776   0.0000   0.0000  190.891   73.114  190.891   73.114 -0.000000 0.000000 
1 1 1   21   31    2 o  810.680   40.493   17.490   1.6799   19.483   2.3865   15.533   2.3652  857.949   54.104  763.410   60.261 94.53943 80.98575 
1 1 1   21   31    4 o  656.600   41.685   11.470   1.4058   11.671   2.0404   11.289   1.9397  661.664   59.980  651.536   57.905 10.12781 83.36990 
1 1 1   21   31    6 o  717.086   31.266   13.472   1.1464   13.306   1.5389   13.679   1.7185  712.834   41.990  721.339   46.338 -8.504944 62.53284 
1 1 1   21   31    8 o  761.184   31.891   15.345   1.2366   16.438   1.6814   14.057   1.8252  792.284   41.277  730.085   48.625 62.19928 63.78277 
1 1 1   21   31   10 o  1004.66   29.356   26.549   1.5107   24.920   2.1851   28.041   2.0909  974.012   43.634  1035.30   39.283 -61.29260 58.71211 
1 1 1   21   31   12 o  166.083   36.812   0.6629   0.3660   0.3317   0.4877   1.0900   0.5538  133.118   50.971  199.048   53.127 -65.92993 73.62416 
1 1 1   21   31   14 o  302.924   59.837   2.6025   0.9461   2.4037   1.1984   2.9313   1.5413  289.440   78.536  316.409   90.299 -26.96820 119.6736 
1 1 1   21   31   16 o  313.751   38.068   2.6732   0.5849   1.8384   0.7972   3.6465   0.8608  256.035   61.362  371.467   45.071 -115.4313 76.13579 
1 1 1   21   31   18 o  498.823   34.165   6.6205   0.8750   6.2018   1.2328   7.0454   1.2420  482.441   49.704  515.206   46.889 -32.76529 68.33013 
1 1 1   21   31   20 o  362.877   37.400   3.6226   0.6562   2.5516   0.9138   4.7632   0.9430  301.551   61.036  424.203   43.240 -122.6518 74.80014 
1 1 1   21   31   22 o  173.273   35.706   0.7958   0.3541   0.4562   0.4916   1.1622   0.5105  141.993   51.803  204.554   49.154 -62.56078 71.41200 
1 1 1   21   31   24 o  186.687   36.741   0.9411   0.3775   0.6105   0.5152   1.3241   0.5546  155.473   53.384  217.900   50.496 -62.42696 73.48291 
1 1 1   21   31   26 o  338.017   50.602   2.7734   0.8579   1.5332   1.0341   5.5117   1.5367  232.090   75.560  443.944   67.326 -211.8547 101.2036 
1 1 1   21   31   28 o  631.337   36.731   10.135   1.1485   8.3397   1.4113   13.657   1.9763  555.474   49.417  707.200   54.355 -151.7255 73.46108 
1 1 1   21   31   30 f  180.284   42.717   0.8124   0.4747   1.2479   0.7317   0.4960   0.6238  208.736   62.948  151.831   57.761 56.90524 85.43308 
1 1 1   21   31   32 o  478.765   47.548   6.2389   1.1704   6.2389   1.1704   0.0000   0.0000  478.765   47.548  ?   ?       ?      ? 
1 1 1   21   31   34 o  174.794   45.946   0.7648   0.4762   0.8175   0.5237   0.5137   1.1435  170.726   53.586  178.862   74.651 -8.136551 91.89214 
1 1 1   21   31   36 o  524.504   96.661   9.3359   2.5105   0.0000   0.0000   9.3359   2.5105  ?   ?   524.504   96.661      ?      ? 
1 1 1   21   31   38 o  251.895   55.914   2.0857   0.7933   2.1004   0.9936   2.0599   1.3175  256.431   72.266  247.360   85.341 9.071274 111.8281 
1 1 1   21   31   40 o  241.074   69.189   1.8772   0.9024   1.8772   0.9024   0.0000   0.0000  241.074   69.189  ?   ?       ?      ? 
1 1 1   21   32    1 o  331.327   34.337   2.9052   0.5825   3.1760   0.8190   2.6281   0.8285  347.457   45.849  315.196   51.127 32.26114 68.67426 
1 1 1   21   32    3 o  542.137   35.323   7.9359   0.9512   5.6685   1.3496   10.174   1.3408  461.275   56.910  622.999   41.860 -161.7237 70.64687 
1 1 1   21   32    5 o  781.216   30.977   16.026   1.2350   15.973   1.6493   16.094   1.8636  780.762   41.086  781.671   46.371 -0.9087524 61.95473 
1 1 1   21   32    7 o  788.630   31.770   16.307   1.2830   15.715   1.7269   17.037   1.9169  773.311   43.437  803.948   46.376 -30.63702 63.54090 
1 1 1   21   32    9 o  696.735   30.577   12.969   1.0755   10.560   1.5573   15.165   1.4872  632.102   47.921  761.369   37.993 -129.2677 61.15467 
1 1 1   21   32   11 o  488.224   32.625   6.2504   0.8160   5.7240   1.1003   6.8936   1.2163  465.596   45.965  510.853   46.311 -45.25653 65.24902 
1 1 1   21   32   13 o  278.831   51.827   2.1024   0.6886   1.9663   0.8031   2.4801   1.3378  265.240   60.263  292.422   84.336 -27.18146 103.6541 
1 1 1   21   32   15 o  273.183   38.503   2.0588   0.5286   1.6524   0.7553   2.4490   0.7400  242.591   60.702  303.776   47.382 -61.18420 77.00539 
1 1 1   21   32   17 o  429.713   35.482   4.9299   0.7838   4.8369   1.1032   5.0246   1.1138  425.545   50.426  433.881   49.929 -8.335938 70.96314 
1 1 1   21   32   19 o  139.159   35.493   0.4463   0.3254   0.3702   0.4924   0.5053   0.4336  135.602   51.384  142.716   48.976 -7.113739 70.98502 
1 1 1   21   32   21 o  464.320   34.369   5.7570   0.8082   4.5375   1.1087   7.1400   1.1807  410.395   52.547  518.244   44.313 -107.8488 68.73759 
1 1 1   21   32   23 o  561.442   33.496   8.3992   0.9644   7.6558   1.3170   9.2587   1.4160  534.518   47.923  588.367   46.811 -53.84869 66.99197 
1 1 1   21   32   25 o  198.629   51.531   0.9633   0.6531   0.9356   0.7852   1.0256   1.1764  189.191   65.849  208.068   79.283 -18.87662 103.0624 
1 1 1   21   32   27 o  318.149   36.256   2.7592   0.5735   2.2560   0.7777   3.3591   0.8490  282.972   55.438  353.327   46.740 -70.35526 72.51152 
1 1 1   21   32   29 o  315.713   48.163   2.9728   0.7893   1.7477   1.1230   4.1686   1.1095  242.592   78.730  388.835   55.499 -146.2436 96.32515 
1 1 1   21   32   31 f  144.404   35.194   0.5233   0.3252   0.6994   0.4505   0.3317   0.4698  159.431   49.641  129.377   49.903 30.05356 70.38846 
1 1 1   21   32   33 o  477.589   34.239   6.2495   0.8394   5.8288   1.1526   6.7247   1.2248  460.347   48.698  494.831   48.144 -34.48410 68.47877 
1 1 1   21   32   35 o  456.340   55.722   6.2558   1.0465   6.0696   1.1848   6.9168   2.2320  467.343   49.312  445.338   99.941 22.00473 111.4446 
1 1 1   21   32   37 o  211.122   48.605   1.0776   0.5298   0.7728   0.6004   2.1497   1.1262  166.520   57.603  255.725   78.305 -89.20552 97.20979 
1 1 1   21   32   39 o  204.476   51.631   1.0507   0.6430   0.6245   0.7588   2.1361   1.2110  160.606   63.005  248.346   81.813 -87.74030 103.2620 
1 1 1   21   33    0 o  173.717   52.753   1.2160   0.5539   1.5084   0.6509   0.4480   1.0549  214.372   67.272  133.061   81.276 -0.000000 0.000000 
1 1 1   21   33    2 o  628.643   32.898   10.432   1.0625   10.907   1.5056   9.9601   1.4996  643.259   45.524  614.027   47.504 29.23218 65.79573 
1 1 1   21   33    4 o  756.945   33.777   15.154   1.3129   14.977   1.8968   15.317   1.8191  752.120   49.053  761.769   46.447 -9.649048 67.55369 
1 1 1   21   33    6 f  210.581   39.551   1.2227   0.4343   1.2864   0.6427   1.1692   0.5891  215.425   57.107  205.738   54.736 9.687576 79.10227 
1 1 1   21   33    8 o  348.952   34.092   3.2658   0.6034   3.6589   0.8267   2.8175   0.8827  372.743   43.140  325.161   52.802 47.58151 68.18433 
1 1 1   21   33   10 o  508.536   30.836   6.7726   0.7981   8.2250   1.1790   5.5444   1.0842  559.254   41.006  457.817   46.064 101.4364 61.67128 
1 1 1   21   33   12 o  294.378   55.058   2.4605   0.7728   2.4443   0.8939   2.5083   1.5379  295.826   60.805  292.930   91.805 2.896240 110.1158 
1 1 1   21   33   14 o  710.245   32.072   13.379   1.1604   13.437   1.5436   13.304   1.7597  713.502   42.079  706.988   48.412 6.514282 64.14365 
1 1 1   21   33   16 o  715.742   35.942   13.884   1.2790   9.8285   1.7829   18.184   1.8358  602.610   57.546  828.875   43.078 -226.2648 71.88387 
1 1 1   21   33   18 o  198.751   38.983   1.0696   0.4313   1.5534   0.6272   0.6354   0.5941  235.996   52.988  161.506   57.193 74.49020 77.96657 
1 1 1   21   33   20 o  638.314   34.092   10.899   1.1136   9.5677   1.5470   12.330   1.6043  596.699   50.428  679.929   45.893 -83.23010 68.18447 
1 1 1   21   33   22 o  414.535   35.616   4.6099   0.7343   3.2146   0.9951   6.2777   1.0879  343.502   56.346  485.567   43.580 -142.0648 71.23241 
1 1 1   21   33   24 o  355.815   52.280   3.6423   0.7982   3.6224   0.9067   3.7109   1.6826  366.951   48.059  344.680   92.862 22.27054 104.5607 
1 1 1   21   33   26 o  211.310   45.621   1.2085   0.5074   1.4597   0.9303   1.1021   0.6054  225.156   71.512  197.464   56.667 27.69136 91.24242 
1 1 1   21   33   28 o  431.777   49.713   5.3199   1.0672   6.5557   1.6161   4.3644   1.4211  480.982   65.352  382.572   74.931 98.40991 99.42621 
1 1 1   21   33   30 o  281.785   40.022   2.2624   0.5585   2.0556   0.7572   2.5090   0.8270  267.302   56.846  296.268   56.352 -28.96637 80.04385 
1 1 1   21   33   32 o  538.995   64.099   10.495   1.3098   11.508   1.4890   7.0284   2.7536  650.153   44.548  427.838  120.209 222.3147 128.1975 
1 1 1   21   33   34 o  566.628   34.603   8.8584   1.0047   8.0934   1.3595   9.7793   1.4916  539.801   48.985  593.456   48.886 -53.65533 69.20531 
1 1 1   21   33   36 o  302.577   54.363   2.5505   0.8648   1.3839   1.0535   4.9603   1.5141  212.199   76.054  392.955   77.698 -180.7559 108.7252 
1 1 1   21   33   38 o  262.749   52.230   2.2659   0.6586   2.2756   0.7373   2.2278   1.4655  277.205   53.671  248.292   89.618 28.91333 104.4603 
1 1 1   21   34    1 o  520.866   33.494   7.1799   0.8962   7.5928   1.2818   6.7850   1.2535  535.774   46.533  505.957   48.189 29.81775 66.98879 
1 1 1   21   34    3 o  320.976   35.495   2.7341   0.5853   2.8662   0.8474   2.6137   0.8093  328.374   50.196  313.578   50.198 14.79657 70.98949 
1 1 1   21   34    5 o  309.136   34.863   2.6014   0.5331   2.8144   0.7185   2.3407   0.7950  326.803   42.765  291.468   55.072 35.33505 69.72617 
1 1 1   21   34    7 o  266.604   36.355   1.9463   0.4787   1.8756   0.6474   2.0316   0.7112  261.577   49.963  271.632   52.825 -10.05518 72.71003 
1 1 1   21   34    9 o  301.141   32.782   2.4042   0.5071   2.4058   0.7329   2.4027   0.7023  301.040   47.355  301.242   45.344 -0.2025452 65.56363 
1 1 1   21   34   11 o  348.767   46.672   3.5668   0.7918   4.3888   1.0496   2.4812   1.2062  405.473   50.351  292.061   78.601 113.4127 93.34499 
1 1 1   21   34   13 o  475.367   33.700   5.9349   0.8147   4.8531   1.0901   7.3038   1.2263  426.225   49.748  524.508   45.474 -98.28302 67.39939 
1 1 1   21   34   15 o  197.342   36.741   1.0593   0.3856   0.7454   0.5232   1.4326   0.5707  167.430   53.676  227.253   50.184 -59.82225 73.48158 
1 1 1   21   34   17 o  196.224   39.184   1.0171   0.4214   1.4858   0.6477   0.6732   0.5548  229.996   55.428  162.452   55.403 67.54375 78.36895 
1 1 1   21   34   19 o  137.234   35.179   0.4319   0.3191   0.4259   0.4724   0.4369   0.4327  138.096   50.723  136.372   48.758 1.724304 70.35737 
1 1 1   21   34   21 o  365.643   44.206   3.3723   0.7760   5.3302   1.3621   2.4315   0.9442  440.228   60.182  291.059   64.767 149.1696 88.41124 
1 1 1   21   34   23 o  225.755   43.174   1.6548   0.5809   2.1572   0.6633   0.0000   1.2038  283.699   45.474  167.811   73.404 115.8881 86.34800 
1 1 1   21   34   25 o  245.307   56.327   1.7141   0.6954   0.0000   0.0000   1.7141   0.6954  ?   ?   245.307   56.327      ?      ? 
1 1 1   21   34   27 o  191.046   39.976   0.9798   0.4312   0.6319   0.5714   1.4400   0.6573  158.300   56.090  223.792   56.978 -65.49211 79.95293 
1 1 1   21   34   29 o  550.771   35.493   8.3883   0.9965   9.1503   1.3729   7.5401   1.4485  580.196   46.026  521.347   54.042 58.84894 70.98557 
1 1 1   21   34   31 o  315.047   47.549   3.2811   0.7650   1.6559   1.2200   4.3343   0.9821  233.123   82.026  396.972   48.120 -163.8490 95.09850 
1 1 1   21   34   33 o  215.595   37.468   1.4013   0.4538   1.9801   0.6038   0.6498   0.6880  268.980   43.664  162.209   60.901 106.7708 74.93637 
1 1 1   21   34   35 o  208.832   52.094   1.2280   0.6432   1.0439   0.7593   1.6958   1.2103  188.585   64.804  229.079   81.580 -40.49318 104.1871 
1 1 1   21   34   37 o  214.983   47.499   1.5911   0.5853   1.8144   0.6462   0.5710   1.3813  247.530   52.411  182.436   79.233 65.09358 94.99895 
1 1 1   21   35    0 o  272.499   62.653   2.3041   0.7454   1.8473   0.9021   3.2873   1.3234  228.677   83.335  316.320   93.577 -0.000000 0.000000 
1 1 1   21   35    2 o  954.748   33.224   24.196   1.6303   23.910   2.3283   24.470   2.2834  948.749   47.732  960.748   46.229 -11.99896 66.44897 
1 1 1   21   35    4 o  220.864   38.706   1.3863   0.4471   0.9658   0.6586   1.7456   0.6089  189.430   60.172  252.298   48.705 -62.86748 77.41281 
1 1 1   21   35    6 o  231.376   37.601   1.4697   0.4361   1.3061   0.5813   1.6803   0.6597  216.770   52.673  245.982   53.673 -29.21230 75.20174 
1 1 1   21   35    8 o  702.620   32.511   13.132   1.1691   13.415   1.5914   12.801   1.7232  712.027   43.473  693.212   48.352 18.81555 65.02158 
1 1 1   21   35   10 o  243.256   46.425   1.7299   0.6097   2.1177   0.7991   1.1895   0.9434  274.990   58.327  211.522   72.243 63.46753 92.84952 
1 1 1   21   35   12 o  694.178   30.604   12.884   1.0816   11.269   1.5649   14.362   1.4966  650.375   46.801  737.981   39.446 -87.60498 61.20726 
1 1 1   21   35   14 f  670.039   32.505   11.832   1.1134   10.707   1.4826   13.289   1.6862  634.133   45.474  705.946   46.459 -71.81342 65.01064 
1 1 1   21   35   16 o  618.485   35.489   10.266   1.1211   11.870   1.6215   8.7961   1.5518  666.213   47.340  570.757   52.884 95.45575 70.97755 
1 1 1   21   35   18 o  191.039   39.166   0.9755   0.4288   1.4630   0.6249   0.5418   0.5895  228.087   54.105  153.990   56.645 74.09772 78.33270 
1 1 1   21   35   20 o  303.560   39.231   2.5755   0.5863   1.2063   0.7904   4.2504   0.8742  207.620   65.913  399.501   42.564 -191.8806 78.46143 
1 1 1   21   35   22 o  437.362   36.068   5.1822   0.8097   5.0804   1.1096   5.2982   1.1842  433.304   49.808  441.420   52.180 -8.116364 72.13601 
1 1 1   21   35   24 o  898.981   61.906   22.601   2.8612   0.0000   0.0000   22.601   2.8612  ?   ?   898.981   61.906      ?      ? 
1 1 1   21   35   26 o  242.238   38.579   1.6869   0.5329   2.8580   0.7503   0.4944   0.7571  325.314   44.859  159.162   62.778 166.1523 77.15852 
1 1 1   21   35   28 o  201.671   37.149   1.0877   0.4386   1.9660   0.6469   0.3402   0.5968  264.219   49.439  139.124   55.462 125.0953 74.29774 
1 1 1   21   35   30 o  493.904   35.882   6.7668   0.9087   6.7617   1.2422   6.7726   1.3329  495.063   48.806  492.745   52.613 2.317993 71.76407 
1 1 1   21   35   32 f  158.584   37.545   0.6253   0.3959   1.0858   0.5567   0.1544   0.5631  192.838   54.006  124.330   52.172 68.50788 75.09058 
1 1 1   21   35   34 o  256.265   58.057   2.1794   0.8447   2.1031   1.0543   2.3164   1.4119  254.254   75.308  258.276   88.380 -4.021851 116.1139 
1 1 1   21   35   36 o  245.644   42.180   1.8640   0.5314   2.1572   0.7455   1.5612   0.7577  268.085   55.899  223.203   63.181 44.88239 84.35941 
1 1 1   21   36    1 o  171.018   37.109   0.7832   0.3691   0.5156   0.5347   1.0269   0.5102  149.517   54.105  192.520   50.802 -43.00334 74.21749 
1 1 1   21   36    3 o  232.272   39.164   1.5327   0.4717   1.0414   0.6799   1.9884   0.6549  195.301   61.015  269.242   49.118 -73.94164 78.32857 
1 1 1   21   36    5 o  630.651   34.915   10.669   1.1263   10.019   1.6423   11.247   1.5477  610.971   52.283  650.329   46.289 -39.35791 69.83002 
1 1 1   21   36    7 o  556.831   33.903   8.4923   0.9422   9.9499   1.2738   6.7320   1.3999  613.974   40.354  499.688   54.491 114.2856 67.80649 
1 1 1   21   36    9 o  254.992   52.177   1.5939   0.6392   1.2946   0.7293   2.5868   1.3281  214.708   62.365  295.276   83.668 -80.56721 104.3535 
1 1 1   21   36   11 o  156.855   36.120   0.6466   0.3343   0.6836   0.4538   0.6028   0.4942  159.687   49.841  154.023   52.292 5.663681 72.23977 
1 1 1   21   36   13 o  438.342   33.672   5.0781   0.7531   4.3190   1.0093   6.0315   1.1312  401.360   48.914  475.324   46.288 -73.96472 67.34356 
1 1 1   21   36   15 o  138.544   34.604   0.4397   0.3145   0.2606   0.4377   0.6308   0.4522  122.564   47.916  154.524   49.939 -31.96026 69.20836 
1 1 1   21   36   17 o  205.818   40.420   1.1997   0.4495   0.9473   0.6502   1.4308   0.6222  186.331   59.849  225.305   54.343 -38.97357 80.83978 
1 1 1   21   36   19 o  426.730   37.373   4.9731   0.8149   4.4531   1.1667   5.4684   1.1387  403.297   56.269  450.163   49.202 -46.86621 74.74641 
1 1 1   21   36   21 o  360.225   47.160   3.6444   0.8134   3.9353   1.3918   3.4935   1.0024  363.288   76.914  357.161   54.592 6.126862 94.31914 
1 1 1   21   36   23 o  302.708   73.768   2.7483   1.1376   2.7483   1.1376   0.0000   0.0000  302.708   73.768  ?   ?       ?      ? 
1 1 1   21   36   25 o  588.132   35.563   9.4747   1.0733   9.5007   1.4754   9.4455   1.5641  590.167   48.624  586.097   51.908 4.069336 71.12509 
1 1 1   21   36   27 o  601.315   35.536   9.9209   1.0890   8.2897   1.4938   11.771   1.5909  546.349   53.180  656.281   47.151 -109.9316 71.07299 
1 1 1   21   36   29 o  356.770   36.820   3.5414   0.6745   3.3383   0.9270   3.7698   0.9831  345.901   52.129  367.639   52.014 -21.73813 73.64018 
1 1 1   21   36   31 o  365.730   36.390   3.7400   0.6797   3.6089   0.9051   3.9096   1.0295  359.914   48.914  371.546   53.893 -11.63171 72.78092 
1 1 1   21   36   33 o  164.418   45.434   0.4642   0.4096   0.3468   0.4411   1.1989   1.1034  126.404   48.458  202.432   76.867 -76.02750 90.86707 
1 1 1   21   36   35 o  245.257   41.883   1.8413   0.5203   1.7802   0.7021   1.9157   0.7750  241.859   57.339  248.655   61.065 -6.795700 83.76582 
1 1 1   21   37    0 o  105.153   68.250   0.0000   0.8801   0.0000   0.0000   0.0000   0.8801  105.153   68.250  105.153   68.250 -0.000000 0.000000 
1 1 1   21   37    2 o  160.343   36.397   0.6809   0.3408   0.6261   0.4904   0.7320   0.4738  155.918   52.095  164.769   50.845 -8.850540 72.79491 
1 1 1   21   37    4 o  319.057   42.321   2.8712   0.6685   3.2056   0.8975   2.4548   1.0017  345.656   50.505  292.458   67.923 53.19717 84.64202 
1 1 1   21   37    6 o  281.075   46.159   2.1061   0.6670   2.1061   0.6670   0.0000   0.0000  281.075   46.159  ?   ?       ?      ? 
1 1 1   21   37    8 o  394.357   57.710   4.8989   1.0266   5.3508   1.2068   3.7152   1.9531  445.407   52.698  343.308  102.688 102.0989 115.4206 
1 1 1   21   37   10 o  437.933   31.504   5.1054   0.7085   5.1559   1.0284   5.0599   0.9776  439.665   45.494  436.201   43.592 3.463959 63.00747 
1 1 1   21   37   12 o  136.654   33.261   0.4420   0.2867   0.6163   0.4254   0.2969   0.3881  152.240   48.357  121.067   45.682 31.17253 66.52254 
1 1 1   21   37   14 o  168.387   36.794   0.7703   0.3523   0.8608   0.4962   0.6783   0.5002  176.469   51.495  160.305   52.568 16.16458 73.58762 
1 1 1   21   37   16 o  163.370   35.916   0.7155   0.3557   0.3391   0.5326   1.0187   0.4780  135.768   52.917  190.972   48.575 -55.20337 71.83147 
1 1 1   21   37   18 o  198.603   43.798   0.9721   0.4621   1.5302   0.8642   0.7486   0.5468  229.883   68.203  167.323   54.967 62.55949 87.59564 
1 1 1   21   37   20 o  328.361   52.149   3.4125   0.8802   2.1011   1.4013   4.2670   1.1312  263.073   88.058  393.648   55.893 -130.5759 104.2985 
1 1 1   21   37   22 o  285.869   74.924   2.4744   1.1145   2.4744   1.1145   0.0000   0.0000  285.869   74.924  ?   ?       ?      ? 
1 1 1   21   37   24 o  235.791   39.596   1.6103   0.4753   1.8465   0.6665   1.3658   0.6781  254.809   52.620  216.773   59.183 38.03549 79.19256 
1 1 1   21   37   26 o  449.410   36.976   5.5777   0.8349   4.1720   1.1366   7.2251   1.2304  384.710   57.463  514.110   46.551 -129.3998 73.95269 
1 1 1   21   37   28 o  509.801   35.944   7.2285   0.9412   7.0438   1.2967   7.4341   1.3681  503.494   50.093  516.108   51.561 -12.61395 71.88768 
1 1 1   21   37   30 o  437.143   40.375   5.4044   0.8351   3.4373   1.1070   8.0023   1.2721  336.351   66.370  537.936   45.997 -201.5846 80.75054 
1 1 1   21   37   32 o  352.218   39.652   3.5532   0.6926   2.8677   0.9186   4.4564   1.0545  308.910   60.002  395.526   51.855 -86.61621 79.30445 
1 1 1   21   37   34 o  557.247   43.196   9.1867   1.2100   10.130   1.9536   8.5998   1.5413  572.768   66.342  541.725   55.339 31.04358 86.39194 
1 1 1   21   38    1 o  483.870   34.903   6.2854   0.8679   6.1541   1.2365   6.4130   1.2185  478.512   50.260  489.228   48.444 -10.71588 69.80626 
1 1 1   21   38    3 o  505.443   34.590   6.8607   0.8975   6.6190   1.2888   7.0882   1.2505  496.086   50.531  514.799   47.248 -18.71249 69.17914 
1 1 1   21   38    5 o  314.371   51.978   3.0928   0.7904   3.4655   0.9318   2.1372   1.4922  358.886   50.502  269.855   90.865 89.03067 103.9559 
1 1 1   21   38    7 o  150.966   36.149   0.5186   0.3348   0.8503   0.5402   0.3117   0.4266  176.385   54.272  125.546   47.766 50.83904 72.29807 
1 1 1   21   38    9 o  369.826   34.467   3.6704   0.6543   3.6022   0.8974   3.7478   0.9561  366.525   47.624  373.128   49.837 -6.603088 68.93333 
1 1 1   21   38   11 o  200.514   36.870   1.1400   0.3958   0.7643   0.5739   1.4807   0.5465  169.907   56.337  231.120   47.579 -61.21309 73.74020 
1 1 1   21   38   13 o  659.608   36.081   12.077   1.1663   10.583   1.8868   13.001   1.4838  620.008   59.190  699.207   41.276 -79.19843 72.16103 
1 1 1   21   38   15 o  560.102   49.859   8.9641   1.2538   8.7424   2.4135   9.0460   1.4673  541.708   86.660  578.497   49.334 -36.78906 99.71830 
1 1 1   21   38   17 o  186.503   41.758   0.9027   0.4809   1.4399   0.6915   0.3996   0.6693  224.005   59.167  149.000   58.944 75.00496 83.51680 
1 1 1   21   38   19 o  428.116   42.990   4.9952   0.9024   3.7577   1.1731   6.7882   1.4121  360.134   65.784  496.099   55.364 -135.9641 85.98071 
1 1 1   21   38   21 o  323.951   62.837   3.4222   1.0671   3.6371   1.3269   3.0288   1.7952  345.973   76.620  301.928   99.617 44.04507 125.6748 
1 1 1   21   38   23 o  249.873   39.580   1.7792   0.5162   1.1622   0.7152   2.4504   0.7459  200.601   62.562  299.144   48.500 -98.54262 79.15965 
1 1 1   21   38   25 o  491.871   36.237   6.7090   0.9147   6.6444   1.2544   6.7822   1.3367  490.386   49.753  493.356   52.698 -2.970428 72.47383 
1 1 1   21   38   27 o  138.370   36.724   0.4395   0.3542   0.4833   0.4994   0.3953   0.5025  141.558   52.128  135.182   51.742 6.375916 73.44784 
1 1 1   21   38   29 o  539.524   35.588   8.1257   0.9839   7.3984   1.3317   8.9999   1.4600  512.965   50.495  566.084   50.164 -53.11896 71.17667 
1 1 1   21   38   31 o  197.261   38.456   1.1442   0.4436   0.5004   0.6304   1.7752   0.6242  148.092   57.615  246.430   50.949 -98.33757 76.91131 
1 1 1   21   39    0 o  191.607   61.309   1.4876   0.6628   1.0297   1.3559   1.6313   0.7597  166.490   96.657  216.724   75.449 0.000000 0.000000 
1 1 1   21   39    2 o  195.836   41.652   0.5949   0.4185   0.2134   0.4683   2.1061   0.9321  121.935   48.951  269.737   67.404 -147.8025 83.30343 
1 1 1   21   39    4 o  330.999   53.261   3.3473   0.8406   3.6101   0.9986   2.7080   1.5574  364.889   53.232  297.108   92.268 67.78055 106.5218 
1 1 1   21   39    6 o  369.995   39.161   3.7187   0.7141   4.7967   1.0731   2.8619   0.9567  421.967   49.462  318.022   60.727 103.9451 78.32154 
1 1 1   21   39    8 o  480.670   33.946   6.1589   0.8347   5.4089   1.1264   7.0722   1.2430  448.106   48.891  513.234   47.107 -65.12820 67.89257 
1 1 1   21   39   10 o  719.356   33.956   13.986   1.2496   14.664   1.7147   13.218   1.8250  739.955   45.073  698.757   50.799 41.19855 67.91273 
1 1 1   21   39   12 o  385.540   56.788   5.0756   0.9861   3.0115   1.9116   5.8240   1.1511  306.459  102.847  464.621   48.188 -158.1618 113.5761 
1 1 1   21   39   14 o  215.732   48.608   1.3549   0.6023   1.0225   1.0608   1.5130   0.7316  202.316   75.685  229.148   61.015 -26.83214 97.21616 
1 1 1   21   39   16 o  421.820   44.531   5.2996   0.8667   5.9609   1.0924   4.1764   1.4237  470.406   45.169  373.234   76.757 97.17114 89.06114 
1 1 1   21   39   18 o  205.287   40.212   1.1321   0.4663   1.8377   0.7047   0.5822   0.6220  253.512   55.594  157.062   58.113 96.45018 80.42310 
1 1 1   21   39   20 o  346.619   59.526   3.2409   1.0512   1.8695   1.2725   6.1887   1.8656  247.269   83.906  445.968   84.458 -198.6988 119.0521 
1 1 1   21   39   22 o  151.180   34.643   0.5076   0.3516   1.0655   0.5094   0.0000   0.4859  193.027   50.684  109.334   47.239 83.69347 69.28513 
1 1 1   21   39   24 o  327.133   40.331   3.0993   0.6403   1.9106   0.8782   4.4487   0.9357  250.947   66.861  403.319   45.123 -152.3725 80.66298 
1 1 1   21   39   26 f  130.686   35.081   0.3452   0.3324   0.1530   0.4589   0.5574   0.4823  114.962   47.577  146.410   51.566 -31.44720 70.16131 
1 1 1   21   39   28 o  253.255   35.476   1.9556   0.5119   0.2889   0.7274   3.5909   0.7205  142.861   59.574  363.650   38.538 -220.7888 70.95240 
1 1 1   21   39   30 o  300.781   41.146   2.6619   0.6209   2.1311   0.8378   3.3087   0.9249  262.436   62.913  339.125   53.048 -76.68970 82.29270 
1 1 1   21   40    1 o  707.259   62.515   15.024   2.2308   17.735   3.1356   12.246   3.1744  783.413   77.849  631.105   97.835 152.3081 125.0292 
1 1 1   21   40    3 f  537.604   59.835   7.9777   1.6538   0.0000   0.0000   7.9777   1.6538  ?   ?   537.604   59.835      ?      ? 
1 1 1   21   40    5 o  246.946   63.712   1.7614   0.8143   0.0000   0.0000   1.7614   0.8143  ?   ?   246.946   63.712      ?      ? 
1 1 1   21   40    7 o  207.574   48.240   0.9850   0.5539   1.8506   1.0604   0.6603   0.6495  250.352   75.842  164.795   59.635 85.55705 96.47981 
1 1 1   21   40    9 o  181.992   42.684   0.5790   0.4571   1.6647   0.8759   0.1727   0.5358  238.861   68.036  125.122   51.562 113.7392 85.36704 
1 1 1   21   40   11 o  312.561   51.088   2.6142   0.7881   4.1894   1.3592   1.8163   0.9673  377.242   72.717  247.879   71.778 129.3634 102.1759 
1 1 1   21   40   13 o  203.267   37.138   1.1810   0.4113   1.6510   0.5734   0.6828   0.5903  243.378   47.530  163.157   57.077 80.22150 74.27557 
1 1 1   21   40   15 o  258.064   37.584   1.8885   0.4819   1.8589   0.6913   1.9165   0.6720  255.578   54.290  260.549   51.989 -4.971802 75.16810 
1 1 1   21   40   17 o  139.764   35.125   0.4759   0.3205   0.5847   0.4457   0.3595   0.4611  148.726   49.665  130.802   49.684 17.92381 70.25055 
1 1 1   21   40   19 o  358.578   55.774   4.9886   0.9336   5.7934   1.0480   1.8940   2.0550  462.275   44.093  254.881  102.463 207.3939 111.5474 
1 1 1   21   40   21 o  562.832   37.340   8.8290   1.0805   8.8805   1.5264   8.7773   1.5296  564.665   52.579  561.000   53.034 3.665100 74.68057 
1 1 1   21   40   23 o  369.233   42.024   3.9263   0.7374   2.2780   0.9886   5.9926   1.1069  271.592   70.267  466.873   46.115 -195.2810 84.04826 
1 1 1   21   40   25 o  316.042   42.475   2.9919   0.6659   3.7472   0.9308   2.2002   0.9529  366.173   49.442  265.911   69.081 100.2625 84.95078 
1 1 1   21   40   27 o  189.421   39.356   1.0508   0.4219   0.7194   0.5907   1.3962   0.6029  161.921   57.064  216.920   54.214 -54.99965 78.71144 
1 1 1   21   40   29 o  174.611   41.532   0.8842   0.4380   1.0013   0.6657   0.7949   0.5816  182.900   60.679  166.322   56.725 16.57750 83.06434 
1 1 1   21   41    0 o  1089.22   61.390   32.040   3.4128   0.0000   0.0000   32.040   3.4128  1089.22   61.390  1089.22   61.390 0.000000 0.000000 
1 1 1   21   41    2 o  501.987   61.235   7.0165   1.5804   0.0000   0.0000   7.0165   1.5804  ?   ?   501.987   61.235      ?      ? 
1 1 1   21   41    4 o  227.053   63.150   1.4906   0.7640   0.0000   0.0000   1.4906   0.7640  ?   ?   227.053   63.150      ?      ? 
1 1 1   21   41    6 o  377.334   50.202   4.1969   0.8580   3.9706   1.5855   4.2906   1.0202  357.266   87.106  397.402   49.934 -40.13644 100.4038 
1 1 1   21   41    8 o  272.001   43.892   2.1149   0.5908   2.2916   0.9375   1.9984   0.7610  279.652   66.229  264.351   57.619 15.30106 87.78468 
1 1 1   21   41   10 o  365.507   35.320   3.6535   0.6608   3.8302   0.9092   3.4556   0.9620  376.090   47.022  354.925   52.717 21.16522 70.64097 
1 1 1   21   41   12 o  373.585   33.048   3.7620   0.6299   4.4507   0.9263   3.1697   0.8591  406.169   44.356  341.002   49.001 65.16696 66.09539 
1 1 1   21   41   14 o  294.196   36.357   2.4261   0.5304   2.9376   0.7571   1.9331   0.7434  329.480   44.695  258.912   57.355 70.56824 72.71391 
1 1 1   21   41   16 o  512.829   34.464   7.1458   0.9044   6.3268   1.2203   8.1439   1.3472  480.043   49.445  545.616   48.024 -65.57364 68.92835 
1 1 1   21   41   18 o  206.315   45.089   1.3840   0.5557   1.7034   0.6165   0.0000   1.2833  244.493   50.705  168.137   74.573 76.35614 90.17873 
1 1 1   21   41   20 o  494.216   38.371   6.9213   0.9636   5.9917   1.3909   7.7793   1.3363  458.137   59.051  530.295   49.014 -72.15872 76.74260 
1 1 1   21   41   22 o  472.100   37.913   6.2917   0.9200   6.4503   1.3075   6.1360   1.2949  478.351   53.163  465.849   54.066 12.50140 75.82509 
1 1 1   21   41   24 o  364.242   38.540   3.8001   0.7183   4.0515   0.9965   3.5284   1.0362  378.986   51.145  349.498   57.667 29.48792 77.07964 
1 1 1   21   41   26 o  268.220   41.779   2.1653   0.5638   1.6977   0.7760   2.6883   0.8207  234.264   63.040  302.176   54.846 -67.91278 83.55899 
1 1 1   21   41   28 o  257.364   42.477   2.0285   0.5534   1.7195   0.7577   2.3820   0.8103  234.640   61.911  280.088   58.173 -45.44751 84.95354 
1 1 1   21   42    1 o  365.601   57.424   4.6147   0.9807   5.2513   1.1386   2.7840   1.9308  438.697   50.480  292.504  103.160 146.1927 114.8489 
1 1 1   21   42    3 o  223.044   41.704   1.4358   0.4855   1.4380   0.6932   1.4337   0.6801  223.113   59.385  222.975   58.569 0.1384888 83.40813 
1 1 1   21   42    5 o  205.007   40.462   1.2076   0.4425   1.1464   0.6567   1.2586   0.5988  200.245   59.464  209.769   54.889 -9.524277 80.92462 
1 1 1   21   42    7 o  252.224   40.746   1.8137   0.5199   2.2775   0.7671   1.4197   0.7070  283.280   54.651  221.168   60.452 62.11116 81.49284 
1 1 1   21   42    9 o  244.225   38.971   1.7101   0.4773   1.7199   0.6599   1.6993   0.6912  245.490   53.774  242.960   56.420 2.529587 77.94130 
1 1 1   21   42   11 o  537.411   35.324   7.9916   0.9654   8.6882   1.3170   7.1827   1.4192  565.979   45.259  508.842   54.248 57.13608 70.64872 
1 1 1   21   42   13 o  285.912   37.903   2.3860   0.5331   1.4574   0.7581   3.2945   0.7498  222.275   63.291  349.549   41.722 -127.2743 75.80593 
1 1 1   21   42   15 o  527.925   33.238   7.6991   0.8925   6.8170   1.3014   8.4823   1.2264  496.244   51.010  559.606   42.627 -63.36285 66.47596 
1 1 1   21   42   17 o  338.279   55.868   3.7315   0.8146   3.8470   0.9067   3.2483   1.8546  374.056   47.148  302.502  101.303 71.55344 111.7370 
1 1 1   21   42   19 o  264.403   40.612   2.0461   0.5377   1.6853   0.7401   2.4493   0.7824  237.611   60.443  291.196   54.259 -53.58447 81.22462 
1 1 1   21   42   21 o  197.838   42.194   1.0882   0.4696   1.6114   0.7425   0.7395   0.6062  230.925   61.460  164.752   57.829 66.17307 84.38881 
1 1 1   21   42   23 o  191.409   39.018   1.0200   0.4483   0.3959   0.6167   1.7198   0.6530  141.378   56.373  241.441   53.961 -100.0630 78.03632 
1 1 1   21   42   25 o  152.477   37.909   0.6278   0.3665   0.7071   0.5540   0.5660   0.4888  159.136   55.314  145.817   51.855 13.31845 75.81888 
1 1 1   21   43    0 o  271.788   67.349   2.3090   0.8184   1.6598   0.9672   3.9458   1.5358  204.656   88.873  338.920  101.218 -0.000000 0.000000 
1 1 1   21   43    2 f  653.892   36.088   11.740   1.2127   12.111   1.7450   11.393   1.6866  663.791   51.132  643.993   50.941 19.79803 72.17677 
1 1 1   21   43    4 o  527.853   37.108   7.6706   1.0004   8.8881   1.4521   6.5708   1.3801  569.570   49.589  486.137   55.218 83.43314 74.21644 
1 1 1   21   43    6 o  178.023   45.102   0.8472   0.5467   1.1478   0.6363   0.0000   1.0684  199.514   58.344  156.531   68.793 42.98318 90.20312 
1 1 1   21   43    8 o  436.539   34.791   5.1973   0.7776   4.6038   1.0580   5.8945   1.1467  408.968   50.321  464.111   48.058 -55.14355 69.58231 
1 1 1   21   43   10 o  212.475   38.654   1.3181   0.4361   1.6821   0.6067   0.9291   0.6272  243.351   50.157  181.600   58.829 61.75053 77.30869 
1 1 1   21   43   12 o  329.230   34.392   2.9783   0.5815   3.1681   0.8430   2.8060   0.8032  339.361   48.316  319.098   48.958 20.26294 68.78403 
1 1 1   21   43   14 o  492.047   42.160   7.4908   0.8920   3.5591   1.2805   11.198   1.2433  338.193   75.551  645.902   37.442 -307.7090 84.31976 
1 1 1   21   43   16 o  166.351   43.485   0.5596   0.4764   0.2692   0.5779   1.1754   0.8416  132.331   53.923  200.372   68.235 -68.04117 86.96935 
1 1 1   21   43   18 o  305.368   42.773   2.8418   0.6482   3.4888   0.8768   2.0618   0.9626  354.178   48.150  256.557   70.710 97.62119 85.54695 
1 1 1   21   43   20 o  177.190   37.699   0.8812   0.3877   0.5331   0.5314   1.2775   0.5670  146.051   53.772  208.329   52.852 -62.27757 75.39798 
1 1 1   21   43   22 o  427.323   40.421   5.3267   0.8867   5.2518   1.2817   5.3954   1.2279  422.826   58.962  431.820   55.307 -8.994324 80.84116 
1 1 1   21   43   24 o  187.126   40.182   1.0365   0.4473   1.4902   0.6310   0.5779   0.6342  221.964   55.450  152.288   58.169 69.67572 80.36427 
1 1 1   21   44    1 o  653.391   36.720   11.831   1.2290   13.101   1.7580   10.618   1.7188  689.785   49.573  616.997   54.185 72.78833 73.44038 
1 1 1   21   44    3 o  192.920   39.348   1.0392   0.4206   1.4235   0.6282   0.7269   0.5662  221.553   55.322  164.286   55.970 57.26677 78.69650 
1 1 1   21   44    5 o  176.906   36.276   0.7657   0.3992   1.5357   0.5974   0.1442   0.5367  231.556   51.509  122.257   51.094 109.2998 72.55174 
1 1 1   21   44    7 o  277.940   42.756   2.2827   0.5929   2.0987   0.8673   2.4441   0.8125  264.977   64.313  290.903   56.358 -25.92578 85.51214 
1 1 1   21   44    9 o  167.920   36.630   0.7807   0.3624   0.4827   0.5161   1.0707   0.5091  142.847   52.917  192.994   50.663 -50.14677 73.25937 
1 1 1   21   44   11 o  476.323   35.925   6.3397   0.8756   6.6818   1.2072   5.9600   1.2720  492.090   47.715  460.557   53.719 31.53271 71.85017 
1 1 1   21   44   13 o  250.387   37.861   1.8063   0.4880   2.5204   0.7070   1.1564   0.6744  302.786   45.415  197.987   60.591 104.7993 75.72160 
1 1 1   21   44   15 o  187.367   46.858   0.9060   0.5334   0.6997   0.6444   1.3550   0.9508  163.335   59.355  211.398   72.524 -48.06326 93.71592 
1 1 1   21   44   17 o  117.405   32.032   0.2658   0.2721   0.3814   0.4200   0.1823   0.3571  128.012   47.676  106.797   42.792 21.21454 64.06367 
1 1 1   21   44   19 o  333.887   39.343   3.2586   0.6575   3.3658   0.9023   3.1372   0.9602  344.299   50.971  323.476   59.945 20.82306 78.68584 
1 1 1   21   44   21 o  302.889   40.673   2.7153   0.6194   2.3745   0.8491   3.1028   0.9056  278.332   61.022  327.446   53.790 -49.11334 81.34520 
1 1 1   21   45    0 o  117.861   48.923   0.4627   0.4634   0.4100   0.5513   0.5897   0.8554  107.169   61.886  128.552   75.790 -0.000000 0.000000 
1 1 1   21   45    2 o  445.407   38.717   5.5786   0.8849   6.0533   1.2752   5.1377   1.2291  464.616   53.385  426.198   56.091 38.41864 77.43441 
1 1 1   21   45    4 o  168.996   40.212   0.7597   0.4121   1.0014   0.6371   0.5857   0.5405  186.344   59.176  151.648   54.462 34.69666 80.42315 
1 1 1   21   45    6 o  536.735   38.189   8.1327   1.0486   7.8666   1.5420   8.3617   1.4302  525.844   57.036  547.625   50.797 -21.78052 76.37734 
1 1 1   21   45    8 o  391.385   40.162   4.3415   0.8052   4.6426   1.2031   4.0972   1.0836  402.716   58.107  380.054   55.457 22.66272 80.32416 
1 1 1   21   45   10 o  187.807   38.085   0.9970   0.4083   0.5698   0.5638   1.4683   0.5921  150.968   55.418  224.646   52.255 -73.67827 76.16946 
1 1 1   21   45   12 o  400.249   36.364   4.4957   0.7462   4.0661   1.0252   4.9797   1.0882  379.188   52.589  421.310   50.237 -42.12207 72.72771 
1 1 1   21   45   14 o  146.654   40.079   0.4906   0.4330   0.6827   0.5108   0.0000   0.8163  157.089   53.163  136.219   59.992 20.87015 80.15842 
1 1 1   21   45   16 o  276.721   39.026   2.3306   0.5443   1.3094   0.7747   3.3264   0.7650  206.309   65.229  347.133   42.865 -140.8233 78.05295 
1 1 1   21   45   18 o  134.868   36.168   0.4265   0.3470   0.2924   0.5432   0.5189   0.4510  129.380   52.444  140.356   49.821 -10.97644 72.33614 
1 1 1   21   45   20 o  359.727   41.190   3.8435   0.7254   2.8353   0.9834   5.0470   1.0744  299.754   65.630  419.700   49.792 -119.9453 82.37995 
1 1 1   21   46    1 o  620.366   37.701   10.884   1.1949   12.340   1.7086   9.4904   1.6718  664.380   50.022  576.352   56.419 88.02716 75.40106 
1 1 1   21   46    3 o  420.386   38.707   4.9892   0.8268   6.0654   1.2167   4.0656   1.1270  464.982   50.893  375.789   58.335 89.19223 77.41499 
1 1 1   21   46    5 o  160.968   39.691   0.6802   0.4080   0.9075   0.6017   0.4867   0.5551  177.569   57.629  144.367   54.594 33.20279 79.38277 
1 1 1   21   46    7 o  309.638   42.226   2.8370   0.6555   2.5953   0.9557   3.0516   0.9007  291.428   65.395  327.848   53.438 -36.41922 84.45171 
1 1 1   21   46    9 o  301.318   40.266   2.6444   0.6045   1.9297   0.8257   3.4701   0.8875  250.840   63.857  351.795   49.067 -100.9556 80.53103 
1 1 1   21   46   11 o  227.694   51.482   1.6680   0.6386   1.7543   0.7207   1.3527   1.3779  241.275   58.669  214.112   84.614 27.16341 102.9641 
1 1 1   21   46   13 o  262.409   50.097   2.2835   0.7000   2.5777   0.8900   1.8064   1.1333  291.169   61.387  233.649   79.185 57.52019 100.1932 
1 1 1   21   46   15 o  349.634   37.120   3.5380   0.6425   4.2688   0.9314   2.8748   0.8873  389.707   46.488  309.561   57.882 80.14633 74.23927 
1 1 1   21   46   17 o  184.380   36.308   1.0148   0.3957   0.4225   0.5782   1.5366   0.5427  139.234   54.880  229.526   47.553 -90.29138 72.61631 
1 1 1   21   47    0 o  391.338   72.784   5.6674   1.2446   4.2689   2.0199   6.5233   1.5802  312.234  127.705  470.443   69.868 0.000000 0.000000 
1 1 1   21   47    2 o  325.663   43.889   3.3549   0.7043   1.8620   1.0221   4.7051   0.9720  240.043   74.779  411.282   45.968 -171.2393 87.77779 
1 1 1   21   47    4 o  351.571   43.280   3.7527   0.7441   2.8460   1.0749   4.5870   1.0311  299.847   70.850  403.295   49.728 -103.4480 86.55999 
1 1 1   21   47    6 o  315.827   43.313   2.9930   0.6766   3.3095   0.9988   2.7247   0.9196  331.892   60.777  299.762   61.728 32.13000 86.62645 
1 1 1   21   47    8 o  503.806   40.705   7.5069   1.0337   6.5445   1.5377   8.3003   1.3962  466.710   64.085  540.902   50.207 -74.19223 81.40998 
1 1 1   21   47   10 o  339.492   56.880   4.4109   0.9324   4.8812   1.0561   2.7492   1.9852  414.641   49.541  264.343  102.406 150.2983 113.7598 
1 1 1   21   47   12 o  518.364   41.222   7.9775   1.0881   7.6511   1.6250   8.2427   1.4649  503.258   62.805  533.471   53.410 -30.21344 82.44485 
1 1 1   21   48    1 o  426.507   40.011   5.3754   0.8600   4.3809   1.2338   6.3149   1.1992  381.605   62.889  471.409   49.481 -89.80466 80.02158 
1 1 1   21   48    3 o  136.893   35.949   0.4338   0.3503   0.1853   0.5030   0.6679   0.4882  119.621   49.681  154.165   51.971 -34.54411 71.89755 
1 1 1   21   48    5 o  216.131   43.478   1.4348   0.5041   1.6118   0.7586   1.2948   0.6746  227.098   62.845  205.163   60.098 21.93481 86.95530 
1 1 1   21   48    7 f  213.291   52.544   1.2863   0.6347   1.0289   0.7340   2.0496   1.2639  184.846   63.704  241.736   83.578 -56.89001 105.0879 
1 1 1   22    0    0 o  1062.22   72.028   29.477   3.8921   29.477   3.8921   0.0000   0.0000  1062.22   72.028  1062.22   72.028 0.000000 0.000000 
1 1 1   22    0    2 o  1143.91   49.734   34.177   2.8987   35.341   4.1262   33.043   4.0730  1163.55   69.545  1124.27   71.117 0.000000 0.000000 
1 1 1   22    0    4 o  1438.85   66.373   53.795   4.8862   53.795   4.8862   0.0000   0.0000  1438.85   66.373  1438.85   66.373 -0.000000 0.000000 
1 1 1   22    0    6 o  1709.17   61.954   75.690   5.4278   75.690   5.4278   0.0000   0.0000  1709.17   61.954  1709.17   61.954 -0.000000 0.000000 
1 1 1   22    0    8 o  385.617   54.979   4.1557   0.9488   4.9174   1.5305   3.6804   1.2091  414.923   80.435  356.312   74.972 0.000000 0.000000 
1 1 1   22    0   10 o  1281.25   44.925   42.314   2.8734   40.988   3.6612   44.441   4.6365  1256.64   56.936  1305.87   69.509 -0.000000 0.000000 
1 1 1   22    0   12 o  122.768   43.927   0.5298   0.4033   0.0000   0.6547   0.8539   0.5120   92.564   59.626  152.971   64.521 0.000000 0.000000 
1 1 1   22    0   14 o  1417.68   43.631   52.349   3.1145   53.052   4.0720   51.359   4.8348  1430.62   55.552  1404.74   67.296 -0.000000 0.000000 
1 1 1   22    0   16 o  306.852   54.353   2.8126   0.7407   3.4349   1.1173   2.3246   0.9894  344.612   71.481  269.091   81.901 0.000000 0.000000 
1 1 1   22    0   18 o   93.764   58.173   0.1531   0.5605   0.0000   0.0000   0.1531   0.5605   93.764   58.173   93.764   58.173 -0.000000 0.000000 
1 1 1   22    0   20 o  235.685   78.067   1.8409   0.8413   1.8409   0.8413   0.0000   0.0000  235.685   78.067  235.685   78.067 -0.000000 0.000000 
1 1 1   22    0   22 o  246.993   56.845   2.0217   0.6402   1.9038   0.9432   2.1224   0.8717  235.155   85.046  258.831   75.449 0.000000 0.000000 
1 1 1   22    0   24 o  964.933   41.386   24.408   2.0342   23.393   2.8784   25.420   2.8753  944.265   59.843  985.601   57.183 0.000000 0.000000 
1 1 1   22    0   26 o  345.126   53.065   3.5389   0.8139   4.3026   1.1625   2.8047   1.1398  393.372   62.114  296.880   86.055 0.000000 0.000000 
1 1 1   22    0   28 o  1275.85   41.325   42.605   2.6973   43.104   3.7957   42.096   3.8338  1283.70   57.778  1268.00   59.100 0.000000 0.000000 
1 1 1   22    0   30 o  696.182   43.243   12.944   1.5179   12.312   2.1577   13.564   2.1358  678.110   63.148  714.253   59.093 -0.000000 0.000000 
1 1 1   22    0   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   34 o   95.516   40.808   0.1809   0.3687   0.4351   0.5718   0.0000   0.4824  112.069   63.735   78.964   50.981 0.000000 0.000000 
1 1 1   22    0   36 o  499.897   48.371   6.9669   1.1743   7.2532   1.6499   6.6731   1.6716  512.315   65.581  487.479   71.119 -0.000000 0.000000 
1 1 1   22    0   38 o  460.912   53.039   6.0779   1.0960   4.4402   1.4919   7.9978   1.6153  380.854   87.505  540.971   59.962 -0.000000 0.000000 
1 1 1   22    0   40 f  131.008   49.571   0.6637   0.4645   0.5096   0.7107   0.7787   0.6138  121.528   70.228  140.488   69.982 0.000000 0.000000 
1 1 1   22    0   42 o   82.333   53.309   0.0000   0.5326   0.0000   0.5326   0.0000   0.0000   82.333   53.309   82.333   53.309 0.000000 0.000000 
1 1 1   22    0   44 o  128.669   45.900   0.4969   0.4357   0.0000   0.5838   1.1213   0.6544   85.834   55.665  171.505   72.998 -0.000000 0.000000 
1 1 1   22    0   46 o  301.706   80.093   2.9335   1.0734   2.9335   1.0734   0.0000   0.0000  301.706   80.093  301.706   80.093 0.000000 0.000000 
1 1 1   22    0   48 o  389.019   76.247   4.5980   1.3576   0.0000   0.0000   4.5980   1.3576  389.019   76.247  389.019   76.247 -0.000000 0.000000 
1 1 1   22    0   50 o  175.907   81.262   1.2825   0.8098   0.0000   0.0000   1.2825   0.8098  175.907   81.262  175.907   81.262 -0.000000 0.000000 
1 1 1   22    1    1 o  807.317   35.306   16.840   1.4653   16.609   2.0769   17.070   2.0676  801.754   50.385  812.879   49.473 -11.12500 70.61272 
1 1 1   22    1    3 o  1714.11   47.825   76.223   4.2145   77.112   5.9917   75.353   5.9292  1724.01   67.599  1704.21   67.671 19.79382 95.65035 
1 1 1   22    1    5 o  1014.31   45.399   26.645   2.3625   29.112   3.3990   24.339   3.2861  1059.92   62.375  968.694   65.981 91.23022 90.79715 
1 1 1   22    1    7 o  438.483   33.216   4.9872   0.7449   4.4509   1.0612   5.5082   1.0459  415.017   49.737  461.949   44.039 -46.93210 66.43197 
1 1 1   22    1    9 o  2154.15   31.492  119.822   3.4869  118.809   4.9716  120.802   4.8919  2145.07   45.080  2163.22   43.985 -18.14380 62.98346 
1 1 1   22    1   11 o  1464.46   30.716   55.369   2.3127   55.128   3.2702   55.610   3.2710  1461.27   43.528  1467.66   43.349 -6.393677 61.43206 
1 1 1   22    1   13 o  392.674   31.298   3.9837   0.6311   4.2307   0.8974   3.7420   0.8878  404.768   43.124  380.580   45.372 24.18832 62.59580 
1 1 1   22    1   15 o  1105.52   29.985   31.560   1.7042   31.197   2.3980   31.931   2.4224  1099.08   42.437  1111.95   42.372 -12.86621 59.96937 
1 1 1   22    1   17 o  698.508   41.288   13.801   1.3128   9.9812   2.2978   15.651   1.5996  618.505   72.261  778.511   39.964 -160.0062 82.57569 
1 1 1   22    1   19 o  483.603   42.094   6.0454   1.0466   6.0454   1.0466   0.0000   0.0000  483.603   42.094  ?   ?       ?      ? 
1 1 1   22    1   21 o  204.359   43.520   1.0977   0.4950   1.0529   0.6975   1.1431   0.7025  200.867   61.645  207.850   61.450 -6.983932 87.04087 
1 1 1   22    1   23 o  1259.14   28.783   41.054   1.8632   40.458   2.6230   41.660   2.6470  1249.90   40.818  1268.39   40.592 -18.48706 57.56536 
1 1 1   22    1   25 o  739.929   29.065   14.203   1.1056   14.302   1.5592   14.103   1.5680  742.562   40.842  737.297   41.365 5.264465 58.13000 
1 1 1   22    1   27 o  568.583   30.069   8.4555   0.8676   6.8424   1.2161   10.128   1.2382  512.446   46.157  624.721   38.550 -112.2750 60.13839 
1 1 1   22    1   29 o  478.741   30.022   5.9819   0.7367   6.5397   1.0443   5.4295   1.0393  501.277   40.521  456.205   44.311 45.07208 60.04484 
1 1 1   22    1   31 o  679.447   36.449   12.069   1.1998   12.399   2.0889   11.906   1.4656  683.730   59.425  675.164   42.222 8.566650 72.89737 
1 1 1   22    1   33 o  386.070   37.063   3.8141   0.7003   4.3709   1.2222   3.5420   0.8544  404.945   58.707  367.195   45.257 37.75021 74.12601 
1 1 1   22    1   35 o  260.893   34.411   1.8315   0.4513   1.6385   0.6302   2.0345   0.6465  244.038   51.833  277.747   45.275 -33.70921 68.82204 
1 1 1   22    1   37 o  361.348   31.787   3.4655   0.5889   3.6851   0.8235   3.2356   0.8426  373.571   42.875  349.125   46.940 24.44583 63.57374 
1 1 1   22    1   39 o  911.125   30.489   22.012   1.4282   21.910   2.0171   22.114   2.0224  908.986   43.162  913.264   43.073 -4.278625 60.97707 
1 1 1   22    1   41 o  284.772   34.944   2.2124   0.5000   2.3447   0.7064   2.0795   0.7079  296.050   46.413  273.494   52.251 22.55640 69.88810 
1 1 1   22    1   43 o  122.744   52.973   0.0000   0.6097   0.0000   0.6097   0.0000   0.0000  122.744   52.973  ?   ?       ?      ? 
1 1 1   22    1   45 o  141.667   35.388   0.4788   0.3092   0.4267   0.3816   0.5782   0.5273  131.334   45.896  151.999   53.876 -20.66525 70.77526 
1 1 1   22    1   47 o  231.115   39.098   1.5121   0.5474   2.6887   0.7689   0.3021   0.7797  313.022   47.776  149.208   61.903 163.8137 78.19537 
1 1 1   22    1   49 o  308.271   51.362   2.9811   0.8012   2.8101   1.1317   3.1530   1.1346  297.948   74.169  318.595   71.073 -20.64737 102.7246 
1 1 1   22    1   51 o  227.014   47.860   1.6364   0.6007   1.6294   0.8534   1.6433   0.8457  226.441   67.911  227.587   67.456 -1.145828 95.71979 
1 1 1   22    2    0 o  638.602   51.509   10.714   1.6659   10.714   1.6659   0.0000   0.0000  638.602   51.509  638.602   51.509 0.000000 0.000000 
1 1 1   22    2    2 o  660.970   35.310   11.346   1.1877   13.314   1.6904   9.4261   1.6691  718.162   45.781  603.779   53.769 114.3828 70.61927 
1 1 1   22    2    4 o  734.024   47.814   14.132   1.7831   11.981   2.5694   16.130   2.4766  678.937   73.609  789.112   61.045 -110.1748 95.62873 
1 1 1   22    2    6 o  1306.88   39.004   44.053   2.4878   44.607   4.2596   43.765   3.0648  1311.81   63.158  1301.94   45.787 9.870117 78.00838 
1 1 1   22    2    8 o  783.482   32.372   15.840   1.3033   16.154   1.8812   15.551   1.8072  790.894   46.265  776.070   45.293 14.82324 64.74463 
1 1 1   22    2   10 f  866.352   31.222   19.382   1.3879   21.017   1.9807   17.806   1.9453  902.354   42.694  830.351   45.567 72.00348 62.44321 
1 1 1   22    2   12 o  530.911   31.049   7.2846   0.8468   6.9828   1.2029   7.5810   1.1922  519.941   44.997  541.880   42.793 -21.93909 62.09702 
1 1 1   22    2   14 o  370.433   31.833   3.5440   0.6057   3.7562   0.8658   3.3406   0.8477  381.325   44.164  359.540   45.858 21.78516 63.66666 
1 1 1   22    2   16 o  1581.53   37.462   64.851   2.8412   64.608   5.0151   64.966   3.4480  1577.18   61.848  1585.89   42.288 -8.704346 74.92345 
1 1 1   22    2   18 o  331.464   38.658   2.9534   0.6021   3.0706   0.7434   2.7300   1.0266  344.694   41.950  318.235   64.946 26.45865 77.31615 
1 1 1   22    2   20 o  955.458   35.885   22.856   1.6463   21.508   1.9734   25.940   2.9855  912.008   42.087  998.907   58.134 -86.89813 71.76965 
1 1 1   22    2   22 o  2485.47   35.448  162.006   4.2776  155.505   7.2974  165.409   5.2798  2442.78   58.105  2528.16   40.620 -85.37476 70.89570 
1 1 1   22    2   24 o  720.447   29.236   13.477   1.0808   14.355   1.5221   12.585   1.5350  744.375   39.771  696.518   42.864 47.85657 58.47292 
1 1 1   22    2   26 o  605.438   29.347   9.5215   0.9132   9.7087   1.2852   9.3306   1.2978  611.541   40.877  599.336   42.119 12.20508 58.69350 
1 1 1   22    2   28 o  272.404   35.266   2.0754   0.4713   3.3139   0.6766   0.9076   0.6570  357.356   36.826  187.452   60.154 169.9036 70.53147 
1 1 1   22    2   30 o  371.556   43.597   4.0756   0.7254   2.8220   1.2455   4.7191   0.8924  317.577   77.066  425.535   40.789 -107.9589 87.19473 
1 1 1   22    2   32 o  403.644   45.783   4.2748   0.9501   4.2748   0.9501   0.0000   0.0000  403.644   45.783  ?   ?       ?      ? 
1 1 1   22    2   34 o  248.297   41.267   1.8195   0.5206   1.1367   0.8909   2.1736   0.6416  208.958   70.211  287.636   43.384 -78.67841 82.53303 
1 1 1   22    2   36 o  566.773   31.596   8.5479   0.9104   9.9250   1.2830   7.1513   1.2921  614.422   40.615  519.125   48.411 95.29712 63.19166 
1 1 1   22    2   38 o  184.585   36.988   0.9400   0.3672   0.9030   0.5269   0.9750   0.5121  181.414   53.101  187.755   51.504 -6.341110 73.97506 
1 1 1   22    2   40 o  260.888   36.567   1.9520   0.4806   1.0015   0.6836   2.8810   0.6758  191.666   61.344  330.111   39.821 -138.4449 73.13485 
1 1 1   22    2   42 f  300.229   71.122   2.6393   1.0809   2.6393   1.0809   0.0000   0.0000  300.229   71.122  ?   ?       ?      ? 
1 1 1   22    2   44 o  262.842   40.929   1.8539   0.6380   0.2885   0.8664   3.7083   0.9430  156.273   65.080  369.412   49.651 -213.1397 81.85719 
1 1 1   22    2   46 o  163.938   38.363   0.6879   0.3592   0.5870   0.4384   0.8942   0.6267  148.498   49.238  179.379   58.844 -30.88069 76.72632 
1 1 1   22    2   48 o  254.564   42.594   2.0917   0.5539   2.4906   0.6718   1.2443   0.9791  302.277   43.226  206.851   73.408 95.42561 85.18884 
1 1 1   22    2   50 o  293.658   44.948   2.7068   0.7726   4.7666   1.0928   0.6485   1.0924  409.823   51.865  177.492   73.426 232.3314 89.89633 
1 1 1   22    3    1 o  649.187   35.543   10.889   1.1856   11.384   1.6867   10.405   1.6670  663.833   49.419  634.539   51.098 29.29401 71.08647 
1 1 1   22    3    3 o  1296.93   47.531   43.667   3.1660   42.920   4.5591   44.363   4.3999  1285.89   68.962  1307.96   65.431 -22.06372 95.06269 
1 1 1   22    3    5 o  710.082   45.398   13.168   1.6417   12.238   2.4424   13.935   2.2173  686.541   69.197  733.622   58.787 -47.08087 90.79686 
1 1 1   22    3    7 o  675.881   32.735   11.810   1.1349   11.576   1.6524   12.019   1.5615  669.418   48.011  682.344   44.511 -12.92682 65.47005 
1 1 1   22    3    9 o  947.726   31.671   23.190   1.5420   23.212   2.2251   23.171   2.1389  948.065   45.649  947.387   43.914 0.6785278 63.34237 
1 1 1   22    3   11 o  917.594   30.898   21.746   1.4572   21.215   2.0663   22.271   2.0554  906.396   44.341  928.792   43.043 -22.39551 61.79673 
1 1 1   22    3   13 o  168.287   34.655   0.7448   0.3179   0.7819   0.4592   0.7106   0.4405  171.962   49.358  164.612   48.659 7.350357 69.31005 
1 1 1   22    3   15 o  241.159   41.985   1.5561   0.4943   1.5669   0.8662   1.5509   0.6019  241.919   67.227  240.399   50.312 1.519318 83.96904 
1 1 1   22    3   17 o  2554.47   35.112  171.234   4.3575  176.275   5.3937  161.761   7.3940  2612.49   40.157  2496.45   57.609 116.0415 70.22353 
1 1 1   22    3   19 o  362.451   31.047   3.4165   0.5753   3.6931   0.7961   3.1143   0.8322  378.031   40.960  346.871   46.667 31.16010 62.09317 
1 1 1   22    3   21 o  203.667   42.662   1.1074   0.4381   1.1703   0.4998   0.8987   0.9102  208.384   47.679  198.950   70.759 9.433594 85.32393 
1 1 1   22    3   23 o  479.099   38.137   6.2307   0.8768   5.2040   1.4664   6.8020   1.0939  445.805   63.980  512.394   41.525 -66.58878 76.27373 
1 1 1   22    3   25 f  1273.99   28.857   42.086   1.8893   40.437   2.6458   43.802   2.6988  1248.42   41.222  1299.56   40.393 -51.13806 57.71376 
1 1 1   22    3   27 o  695.485   29.497   12.574   1.0547   12.586   1.4879   12.563   1.4953  695.832   41.591  695.138   41.840 0.6938477 58.99487 
1 1 1   22    3   29 o  260.549   41.338   1.7111   0.5106   2.3334   0.9244   1.4379   0.6125  291.490   63.481  229.609   52.965 61.88054 82.67516 
1 1 1   22    3   31 f  281.864   40.728   2.0115   0.5444   1.6639   0.6594   2.7551   0.9646  246.686   53.532  317.041   61.395 -70.35446 81.45546 
1 1 1   22    3   33 o  416.350   38.672   4.7388   0.7706   5.0285   0.9511   4.1853   1.3147  438.073   42.230  394.626   64.797 43.44705 77.34372 
1 1 1   22    3   35 o  738.757   30.060   14.369   1.1380   12.980   1.5995   15.794   1.6196  701.818   44.328  775.696   40.612 -73.87866 60.11905 
1 1 1   22    3   37 o  388.493   32.588   4.0162   0.6479   4.4086   0.9116   3.6156   0.9212  408.408   43.414  368.579   48.612 39.82883 65.17566 
1 1 1   22    3   39 o  291.793   42.392   2.2445   0.5736   2.0061   0.6820   2.8210   1.0604  269.477   51.095  314.108   67.659 -44.63144 84.78415 
1 1 1   22    3   41 o  750.706   44.551   15.593   1.7177   16.115   2.4082   15.052   2.4508  764.977   61.233  736.435   64.729 28.54193 89.10252 
1 1 1   22    3   43 o  518.785   40.424   7.5236   0.9995   7.7596   1.2214   7.0452   1.7390  538.207   44.142  499.363   67.734 38.84442 80.84770 
1 1 1   22    3   45 o  444.409   46.262   6.2317   0.8969   7.3646   1.1119   4.1218   1.5174  524.102   41.265  364.716   82.812 159.3868 92.52383 
1 1 1   22    3   47 o   85.440   26.208   0.0000   0.1855   0.0000   0.2127   0.0000   0.3794   73.660   31.529   97.221   41.873 -23.56107 52.41644 
1 1 1   22    3   49 o  159.189   39.250   0.6077   0.3723   0.4515   0.4471   0.9608   0.6722  135.749   49.424  182.629   60.988 -46.88086 78.49976 
1 1 1   22    3   51 o  125.065   34.099   0.2107   0.3031   0.0000   0.3664   0.6670   0.5392   94.571   40.940  155.559   54.542 -60.98759 68.19756 
1 1 1   22    4    0 o  1927.73   71.235   96.412   7.0382   96.412   7.0382   0.0000   0.0000  1927.73   71.235  1927.73   71.235 0.000000 0.000000 
1 1 1   22    4    2 o  1215.08   49.712   38.341   3.1034   36.493   4.3647   40.231   4.4133  1185.24   71.628  1244.93   68.952 -59.69165 99.42319 
1 1 1   22    4    4 o  1158.20   68.248   34.818   4.0639   34.818   4.0639   0.0000   0.0000  1158.20   68.248  ?   ?       ?      ? 
1 1 1   22    4    6 o  716.094   49.186   13.370   1.8001   13.885   2.4466   12.761   2.6581  731.665   65.039  700.523   73.804 31.14203 98.37270 
1 1 1   22    4    8 o  430.624   36.875   4.5948   0.7833   5.5024   1.3532   4.1375   0.9606  461.012   57.094  400.237   46.682 60.77518 73.74902 
1 1 1   22    4   10 o  1331.92   31.501   45.905   2.1525   43.224   3.0787   48.469   3.0105  1293.56   46.293  1370.28   42.733 -76.71985 63.00140 
1 1 1   22    4   12 o  2188.74   30.633  123.736   3.4463  125.924   4.8529  121.509   4.8949  2208.40   42.742  2169.07   43.894 39.32202 61.26607 
1 1 1   22    4   14 o  1171.32   39.844   36.986   2.1939   31.843   3.8528   39.454   2.6688  1106.54   67.724  1236.10   41.995 -129.5598 79.68752 
1 1 1   22    4   16 o  598.189   35.107   9.2059   1.0333   9.0720   1.2826   9.4536   1.7444  592.599   42.098  603.779   56.195 -11.17944 70.21468 
1 1 1   22    4   18 o  1496.26   29.357   58.044   2.2505   61.037   3.1111   54.759   3.2594  1537.25   39.364  1455.27   43.564 81.97644 58.71401 
1 1 1   22    4   20 o  1139.08   29.040   33.521   1.6991   32.936   2.3457   34.166   2.4646  1128.74   40.421  1149.41   41.706 -20.66418 58.07964 
1 1 1   22    4   22 o  2120.17   36.318  116.244   3.6417  115.334   4.3592  118.346   6.6253  2111.02   40.165  2129.32   60.520 -18.30737 72.63516 
1 1 1   22    4   24 o  142.732   34.116   0.4935   0.2995   0.5759   0.4048   0.3939   0.4453  149.735   47.130  135.730   49.338 14.00490 68.23112 
1 1 1   22    4   26 o  559.412   29.860   8.1296   0.8574   7.5246   1.1998   8.7612   1.2258  537.979   43.377  580.845   41.048 -42.86682 59.72038 
1 1 1   22    4   28 o  334.378   33.819   3.0031   0.5492   3.8713   0.7844   2.1682   0.7692  385.923   39.536  282.833   54.880 103.0901 67.63804 
1 1 1   22    4   30 o  626.844   37.392   10.513   1.1300   10.874   1.3915   9.8138   1.9361  645.598   41.924  608.091   61.928 37.50690 74.78468 
1 1 1   22    4   32 o  195.413   35.143   1.0447   0.3548   0.9403   0.5033   1.1479   0.5002  185.883   51.089  204.943   48.271 -19.06020 70.28665 
1 1 1   22    4   34 o  566.570   44.383   8.6500   1.2872   7.6981   1.8080   9.6285   1.8330  533.615   65.901  599.525   59.469 -65.90997 88.76656 
1 1 1   22    4   36 o  651.990   37.141   11.192   1.1736   10.884   1.4304   11.827   2.0528  642.320   43.316  661.660   60.344 -19.34039 74.28112 
1 1 1   22    4   38 o  188.413   40.627   0.8850   0.4056   0.7154   0.4872   1.2680   0.7321  163.811   51.723  213.014   62.665 -49.20323 81.25385 
1 1 1   22    4   40 o  223.536   48.764   1.3970   0.6146   1.2392   0.8253   1.5935   0.9210  211.179   67.385  235.894   70.506 -24.71486 97.52840 
1 1 1   22    4   42 o  418.927   44.539   4.6933   0.9593   4.6933   0.9593   0.0000   0.0000  418.927   44.539  ?   ?       ?      ? 
1 1 1   22    4   44 o  568.245   46.341   9.1695   1.3419   7.8858   1.8961   10.458   1.8994  524.276   70.345  612.213   60.347 -87.93726 92.68288 
1 1 1   22    4   46 o  490.045   40.071   6.8273   0.9336   7.0475   1.1402   6.3795   1.6260  510.463   43.447  469.626   67.344 40.83676 80.14249 
1 1 1   22    4   48 f  358.993   42.232   3.6299   0.7283   3.3761   0.8985   4.1161   1.2437  348.344   50.172  369.642   67.948 -21.29807 84.46371 
1 1 1   22    4   50 o  365.057   41.603   3.3684   0.7092   2.1119   0.8493   6.2639   1.2892  262.106   63.658  468.009   53.581 -205.9031 83.20601 
1 1 1   22    5    1 o  1842.44   49.347   87.704   4.6744   0.0000   0.0000   87.704   4.6744  ?   ?   1842.44   49.347      ?      ? 
1 1 1   22    5    3 o  717.864   48.707   13.656   1.7597   11.315   2.6091   15.610   2.3834  659.359   76.967  776.369   59.712 -117.0106 97.41358 
1 1 1   22    5    5 o  1385.16   44.238   49.940   3.1075   48.404   4.7653   51.077   4.0990  1365.53   67.876  1404.79   56.754 -39.25269 88.47667 
1 1 1   22    5    7 o  2034.77   43.232  107.062   4.1519  106.701   4.9670  107.897   7.5644  2032.35   47.537  2037.19   72.223 -4.841431 86.46317 
1 1 1   22    5    9 f  825.456   49.337   18.180   2.0242   20.062   2.6394   15.493   3.1540  880.047   58.336  770.865   79.583 109.1826 98.67363 
1 1 1   22    5   11 o  1355.57   40.111   47.257   2.5537   48.441   4.7128   46.765   3.0385  1365.44   67.133  1345.70   43.918 19.73499 80.22203 
1 1 1   22    5   13 o  975.180   42.723   24.767   2.1182   23.975   3.2165   25.374   2.8146  960.637   65.127  989.724   55.314 -29.08740 85.44692 
1 1 1   22    5   15 o  371.547   38.600   3.7602   0.6729   4.0713   0.8426   3.2125   1.1181  397.059   41.273  346.034   65.241 51.02496 77.20013 
1 1 1   22    5   17 o  382.688   31.304   3.8139   0.6114   4.1538   0.8429   3.4365   0.8882  400.974   40.889  364.402   47.412 36.57159 62.60822 
1 1 1   22    5   19 o  523.066   29.834   7.0527   0.8010   6.6960   1.0957   7.4622   1.1740  508.925   41.875  537.208   42.506 -28.28314 59.66793 
1 1 1   22    5   21 o  650.039   29.346   10.896   0.9783   9.8959   1.3429   12.026   1.4281  618.299   42.245  681.778   40.743 -63.47858 58.69141 
1 1 1   22    5   23 o  649.014   43.459   11.070   1.4431   11.740   1.9885   10.324   2.0976  670.533   57.683  627.495   65.020 43.03748 86.91901 
1 1 1   22    5   25 o  373.137   31.711   3.6533   0.6021   4.1425   0.8382   3.1316   0.8655  399.551   40.802  346.724   48.555 52.82736 63.42209 
1 1 1   22    5   27 o  440.024   30.796   5.0609   0.6907   4.2717   0.9705   5.8708   0.9831  404.718   46.641  475.330   40.229 -70.61255 61.59279 
1 1 1   22    5   29 o  1264.53   41.402   42.293   2.6859   44.935   3.7729   39.578   3.8244  1305.96   56.192  1223.10   60.819 82.86731 82.80405 
1 1 1   22    5   31 o  686.050   29.806   12.301   1.0511   12.336   1.4751   12.264   1.4982  687.168   41.754  684.932   42.545 2.236694 59.61143 
1 1 1   22    5   33 o  232.644   40.115   1.6142   0.4770   1.9225   0.5725   0.9143   0.8625  270.949   41.097  194.339   68.905 76.60960 80.22990 
1 1 1   22    5   35 o  638.846   44.530   11.067   1.4556   9.9179   2.0635   12.205   2.0537  603.948   66.455  673.744   59.289 -69.79578 89.05920 
1 1 1   22    5   37 o  514.354   39.180   7.2420   0.9581   7.4732   1.1667   6.7631   1.6789  531.861   42.666  496.846   65.727 35.01419 78.36065 
1 1 1   22    5   39 o  181.345   39.399   0.9400   0.3957   1.0855   0.4600   0.5256   0.7761  198.135   46.034  164.554   63.952 33.58173 78.79712 
1 1 1   22    5   41 o  179.641   51.762   0.8946   0.5042   0.8946   0.5042   0.0000   0.0000  179.641   51.762  ?   ?       ?      ? 
1 1 1   22    5   43 o  393.049   39.132   4.2134   0.7433   4.1660   0.9084   4.3094   1.2931  393.973   44.846  392.126   64.141 1.847504 78.26439 
1 1 1   22    5   45 o  236.801   42.686   1.5703   0.4901   1.4715   0.5864   1.7994   0.8929  227.663   51.323  245.939   68.222 -18.27623 85.37169 
1 1 1   22    5   47 o  144.286   34.176   0.5690   0.2941   0.6661   0.3454   0.3126   0.5613  154.278   42.284  134.295   53.704 19.98347 68.35239 
1 1 1   22    5   49 o  386.458   40.213   4.0121   0.7583   3.4602   0.9153   5.2199   1.3540  350.964   50.723  421.952   62.415 -70.98764 80.42665 
1 1 1   22    5   51 o  291.794   39.039   2.3342   0.5857   2.3342   0.5857   0.0000   0.0000  291.794   39.039  ?   ?       ?      ? 
1 1 1   22    6    0 o  300.980   62.064   2.6120   0.8480   2.6120   0.8480   0.0000   0.0000  300.980   62.064  300.980   62.064 0.000000 0.000000 
1 1 1   22    6    2 o  595.155   44.614   9.4834   1.2520   8.3947   2.2053   10.001   1.5208  568.048   75.510  622.262   47.538 -54.21399 89.22779 
1 1 1   22    6    4 o  1613.90   45.349   68.081   3.7023   64.266   5.6803   70.898   4.8816  1572.87   70.244  1654.92   57.374 -82.04468 90.69760 
1 1 1   22    6    6 o  1886.19   40.201   93.716   3.5571   88.073   6.4322   96.203   4.2694  1841.74   67.930  1930.64   43.012 -88.89087 80.40237 
1 1 1   22    6    8 o  1927.55   43.783   95.921   4.3389   0.0000   0.0000   95.921   4.3389  ?   ?   1927.55   43.783      ?      ? 
1 1 1   22    6   10 o  691.223   73.281   12.437   2.6042   0.0000   0.0000   12.437   2.6042  ?   ?   691.223   73.281      ?      ? 
1 1 1   22    6   12 o  590.837   34.866   8.8742   1.0382   8.3022   1.3248   9.7845   1.6714  566.849   45.460  614.824   52.876 -47.97498 69.73172 
1 1 1   22    6   14 o  375.543   31.857   3.6420   0.6099   3.0388   0.8428   4.3051   0.8837  342.795   47.823  408.290   42.100 -65.49487 63.71387 
1 1 1   22    6   16 o  2219.31   29.496  127.103   3.3590  124.941   4.5934  129.588   4.9246  2199.34   40.623  2239.28   42.776 -39.94531 58.99147 
1 1 1   22    6   18 o  584.654   29.534   8.8151   0.8864   8.4823   1.2139   9.1953   1.2975  572.901   41.213  596.407   42.314 -23.50690 59.06705 
1 1 1   22    6   20 o  1585.70   29.098   65.028   2.3675   64.875   3.2455   65.201   3.4611  1584.01   39.852  1587.38   42.409 -3.372925 58.19559 
1 1 1   22    6   22 o  881.867   29.292   20.134   1.3260   19.981   1.8220   20.306   1.9335  878.491   40.341  885.243   42.482 -6.752380 58.58434 
1 1 1   22    6   24 o  1175.99   35.672   35.922   2.0568   36.393   3.4858   35.671   2.5476  1179.55   57.479  1172.44   42.264 7.107178 71.34485 
1 1 1   22    6   26 o  533.387   30.137   7.4192   0.8238   7.9098   1.1490   6.9003   1.1818  551.878   40.497  514.896   44.643 36.98212 60.27430 
1 1 1   22    6   28 f  548.475   42.476   7.9611   1.1934   8.6552   1.6789   7.2522   1.6967  573.428   56.949  523.521   63.037 49.90723 84.95222 
1 1 1   22    6   30 o  425.105   38.242   4.7317   0.7735   4.6783   0.9303   4.8513   1.3921  423.235   42.754  426.976   63.417 -3.740417 76.48309 
1 1 1   22    6   32 o  1091.15   36.592   31.335   1.9236   31.109   2.3415   31.804   3.3738  1090.26   41.773  1092.05   60.091 -1.791138 73.18375 
1 1 1   22    6   34 o  497.167   38.117   6.4683   0.9149   6.2602   1.1095   6.9103   1.6170  487.672   44.253  506.661   62.075 -18.98886 76.23352 
1 1 1   22    6   36 o  540.958   38.437   7.7961   0.9939   7.7185   1.2015   7.9643   1.7688  540.763   43.218  541.153   63.575 -0.3896484 76.87408 
1 1 1   22    6   38 o  168.974   40.303   0.6279   0.3692   0.4972   0.4239   1.0388   0.7516  141.444   48.427  196.503   64.438 -55.05968 80.60670 
1 1 1   22    6   40 o  245.174   64.301   1.7220   0.8205   1.7220   0.8205   0.0000   0.0000  245.174   64.301  ?   ?       ?      ? 
1 1 1   22    6   42 o  252.273   38.841   1.7901   0.4491   1.8205   0.5252   1.7074   0.8667  262.037   38.982  242.510   67.193 19.52692 77.68168 
1 1 1   22    6   44 o  300.483   39.335   2.4635   0.5104   2.3983   0.5852   2.6704   1.0428  300.320   37.904  300.645   68.937 -0.3257446 78.67010 
1 1 1   22    6   46 o  374.632   41.953   4.1455   0.6550   4.2888   0.7558   3.7133   1.3125  400.929   36.666  348.336   75.471 52.59381 83.90639 
1 1 1   22    6   48 o  291.457   41.983   2.5837   0.5257   2.6856   0.6020   2.2561   1.0791  316.058   37.049  266.855   75.349 49.20331 83.96506 
1 1 1   22    6   50 o  215.181   51.923   1.3639   0.5678   1.3639   0.5678   0.0000   0.0000  215.181   51.923  ?   ?       ?      ? 
1 1 1   22    7    1 o  1048.45   49.171   28.680   2.6381   26.370   3.8072   30.812   3.6588  1007.03   73.534  1089.87   65.297 -82.83301 98.34104 
1 1 1   22    7    3 f  972.480   59.621   24.497   2.9809   0.0000   0.0000   24.497   2.9809  ?   ?   972.480   59.621      ?      ? 
1 1 1   22    7    5 o  220.339   58.994   1.3008   0.6816   0.0000   0.0000   1.3008   0.6816  ?   ?   220.339   58.994      ?      ? 
1 1 1   22    7    7 o  186.942   37.294   0.7725   0.3597   1.4160   0.6619   0.5028   0.4285  229.369   56.501  144.514   48.694 84.85548 74.58895 
1 1 1   22    7    9 o  455.790   48.083   5.5835   1.0510   5.0597   1.7046   5.9048   1.3349  433.955   79.326  477.626   54.362 -43.67136 96.16546 
1 1 1   22    7   11 o  1500.77   59.965   58.410   4.6268   58.410   4.6268   0.0000   0.0000  1500.77   59.965  ?   ?       ?      ? 
1 1 1   22    7   13 o  587.499   31.271   8.9334   0.9426   9.2466   1.3070   8.5940   1.3607  598.361   42.486  576.637   45.896 21.72388 62.54197 
1 1 1   22    7   15 o  791.493   36.363   16.235   1.4263   16.185   2.3515   16.264   1.7941  789.748   57.913  793.239   43.991 -3.490051 72.72663 
1 1 1   22    7   17 o  1564.08   29.361   63.122   2.3551   61.889   3.2052   64.569   3.4719  1547.75   40.279  1580.42   42.729 -32.66357 58.72135 
1 1 1   22    7   19 f  296.306   33.374   2.3775   0.4811   2.8369   0.6545   1.8376   0.7095  331.357   38.416  261.255   54.585 70.10236 66.74779 
1 1 1   22    7   21 o  437.279   30.590   4.9918   0.6818   5.3551   0.9289   4.5674   1.0040  454.927   39.715  419.630   46.538 35.29642 61.18029 
1 1 1   22    7   23 o  1124.60   37.503   32.995   1.9638   33.032   2.3301   32.903   3.6489  1129.03   40.142  1120.17   63.359 8.859741 75.00504 
1 1 1   22    7   25 o  603.696   35.736   9.1710   1.0689   10.774   1.8214   8.3290   1.3201  641.619   55.216  565.773   45.383 75.84589 71.47294 
1 1 1   22    7   27 o  175.408   56.388   0.7906   0.5771   0.7906   0.5771   0.0000   0.0000  175.408   56.388  ?   ?       ?      ? 
1 1 1   22    7   29 o  167.008   38.429   0.7244   0.3995   0.9856   0.4932   0.2259   0.6812  190.408   49.808  143.609   58.536 46.79848 76.85861 
1 1 1   22    7   31 o  164.166   40.032   0.6273   0.3689   0.6048   0.4244   0.6969   0.7462  152.596   48.282  175.735   63.867 -23.13841 80.06358 
1 1 1   22    7   33 o  432.278   37.299   4.8602   0.7823   4.6709   0.9519   5.2542   1.3732  421.618   43.916  442.937   60.301 -21.31821 74.59754 
1 1 1   22    7   35 o  213.748   46.249   1.2606   0.5639   0.9864   0.8361   1.4892   0.7636  196.774   67.979  230.721   62.727 -33.94740 92.49803 
1 1 1   22    7   37 o  612.261   38.845   10.359   1.1300   10.880   1.3830   9.3118   1.9597  641.821   41.913  582.702   65.413 59.11938 77.68930 
1 1 1   22    7   39 o  314.152   48.007   2.7658   0.7749   1.9084   1.0528   3.7793   1.1447  256.439   75.062  371.864   59.872 -115.4258 96.01495 
1 1 1   22    7   41 o  269.783   36.348   1.7683   0.4337   1.5375   0.4949   2.5333   0.9009  240.810   39.971  298.756   60.721 -57.94667 72.69560 
1 1 1   22    7   43 o  697.166   34.304   12.319   1.0811   11.460   1.2423   14.997   2.1942  657.802   36.733  736.531   57.945 -78.72998 68.60753 
1 1 1   22    7   45 o  115.604   32.934   0.1947   0.3015   0.3056   0.3778   0.0000   0.5006  120.019   45.113  111.189   47.994 8.828972 65.86773 
1 1 1   22    7   47 o  363.105   46.528   4.6167   0.6924   5.3353   0.8039   2.5529   1.3623  447.155   34.969  279.054   86.236 168.1014 93.05663 
1 1 1   22    7   49 o   97.242   29.732   0.0000   0.2707   0.0000   0.3604   0.0000   0.4101   94.315   40.717  100.169   43.338 -5.854141 59.46493 
1 1 1   22    7   51 o  140.594   35.299   0.5315   0.3034   0.5919   0.3491   0.3453   0.6129  144.311   43.472  136.877   55.626 7.433899 70.59779 
1 1 1   22    8    0 o  200.080   85.016   1.4681   0.8879   1.4681   0.8879   0.0000   0.0000  200.080   85.016  200.080   85.016 0.000000 0.000000 
1 1 1   22    8    2 o  263.394   51.637   1.8553   0.6743   0.0000   0.0000   1.8553   0.6743  ?   ?   263.394   51.637      ?      ? 
1 1 1   22    8    4 o  741.214   54.940   14.217   2.0936   0.0000   0.0000   14.217   2.0936  ?   ?   741.214   54.940      ?      ? 
1 1 1   22    8    6 o  2367.32   42.677  143.820   5.1124  153.083   8.0746  137.622   6.6049  2428.90   64.661  2305.75   55.717 123.1501 85.35416 
1 1 1   22    8    8 o  1246.75   36.487   40.187   2.3168   40.062   3.0711   40.352   3.5293  1245.03   47.978  1248.47   54.984 -3.450684 72.97366 
1 1 1   22    8   10 o  979.938   31.836   24.771   1.6012   26.868   2.3093   22.830   2.2222  1019.92   44.040  939.957   45.983 79.96075 63.67108 
1 1 1   22    8   12 o  1194.61   46.235   36.630   2.7969   34.611   3.6127   39.651   4.4187  1154.89   60.845  1234.33   69.630 -79.43640 92.46906 
1 1 1   22    8   14 o  419.088   32.529   4.6464   0.6842   5.4998   0.9374   3.6733   1.0009  461.549   39.502  376.627   51.692 84.92242 65.05745 
1 1 1   22    8   16 o  903.889   30.094   21.261   1.3873   22.594   1.8862   19.691   2.0476  935.333   39.225  872.445   45.650 62.88763 60.18753 
1 1 1   22    8   18 o  746.577   29.503   14.349   1.1293   13.621   1.5291   15.222   1.6749  725.920   40.972  767.234   42.461 -41.31390 59.00541 
1 1 1   22    8   20 f  1475.34   29.190   56.186   2.2098   54.169   3.0132   58.534   3.2505  1446.95   40.504  1503.74   42.044 -56.79419 58.38072 
1 1 1   22    8   22 o  740.628   29.664   14.164   1.1272   13.371   1.5355   15.092   1.6601  718.270   41.580  762.987   42.320 -44.71631 59.32833 
1 1 1   22    8   24 o  674.821   38.512   11.895   1.2028   11.888   1.4210   11.915   2.2591  676.860   40.833  672.782   65.311 4.077759 77.02487 
1 1 1   22    8   26 o  762.921   57.320   15.287   2.2483   15.287   2.2483   0.0000   0.0000  762.921   57.320  ?   ?       ?      ? 
1 1 1   22    8   28 o  1063.08   42.770   29.826   2.3348   28.911   3.2078   30.858   3.4048  1046.17   59.639  1079.99   61.320 -33.81335 85.53954 
1 1 1   22    8   30 o  563.998   36.258   7.7748   0.9865   6.7693   1.1763   10.159   1.8112  508.464   44.999  619.532   56.865 -111.0676 72.51566 
1 1 1   22    8   32 o  329.757   42.826   3.0629   0.6517   3.2493   0.7912   2.6697   1.1493  351.905   43.732  307.609   73.646 44.29514 85.65171 
1 1 1   22    8   34 o  768.969   35.009   15.168   1.1864   14.704   1.3557   16.687   2.4520  750.423   35.139  787.515   60.561 -37.09235 70.01704 
1 1 1   22    8   36 o  279.042   42.662   1.7988   0.5535   1.2421   0.6448   3.3584   1.0793  211.143   57.739  346.942   62.821 -135.7993 85.32479 
1 1 1   22    8   38 o  327.038   41.611   2.7596   0.6328   2.4638   0.7497   3.4926   1.1802  303.734   48.009  350.341   67.977 -46.60614 83.22102 
1 1 1   22    8   40 o  397.409   39.812   4.2370   0.7536   4.1300   0.9057   4.4777   1.3586  393.485   44.771  401.333   65.846 -7.847778 79.62461 
1 1 1   22    8   42 o  305.166   42.112   3.0459   0.5615   3.5399   0.6597   1.7461   1.0700  366.348   35.023  243.984   76.596 122.3642 84.22346 
1 1 1   22    8   44 o  314.853   35.906   2.3121   0.5119   1.9267   0.5813   3.6445   1.0808  267.950   42.194  361.756   58.109 -93.80649 71.81248 
1 1 1   22    8   46 o  199.193   42.345   1.1162   0.4489   1.0424   0.5482   1.2662   0.7819  190.514   53.674  207.872   65.508 -17.35863 84.68913 
1 1 1   22    8   48 o  340.145   39.490   3.0254   0.5677   2.7739   0.6405   3.9470   1.2259  320.262   38.897  360.028   68.736 -39.76645 78.97913 
1 1 1   22    8   50 o  430.726   48.485   5.2326   1.0737   5.2326   1.0737   0.0000   0.0000  430.726   48.485  ?   ?       ?      ? 
1 1 1   22    9    1 o  1372.44   34.764   48.713   2.4497   47.968   3.5414   49.396   3.3921  1362.16   50.569  1382.72   47.716 -20.56287 69.52705 
1 1 1   22    9    3 o  1877.25   41.239   91.707   3.5581   90.314   6.7391   92.245   4.1896  1864.11   70.317  1890.39   43.107 -26.27588 82.47888 
1 1 1   22    9    5 o  1126.87   43.457   32.661   2.4634   34.177   3.9504   31.696   3.1511  1147.20   66.978  1106.54   55.389 40.66553 86.91415 
1 1 1   22    9    7 o  1793.90   38.719   81.048   3.3273   89.517   6.0281   77.337   3.9903  1857.40   63.126  1730.40   44.852 126.9922 77.43784 
1 1 1   22    9    9 o  856.812   32.465   18.935   1.4282   19.591   2.0865   18.358   1.9590  870.669   46.612  842.955   45.203 27.71442 64.93095 
1 1 1   22    9   11 o  1592.00   31.359   65.501   2.5656   63.524   3.6361   67.462   3.6205  1567.92   45.107  1616.07   43.575 -48.15320 62.71701 
1 1 1   22    9   13 o  1370.68   46.087   48.313   3.1992   45.890   4.1365   51.920   5.0466  1329.46   60.519  1411.89   69.523 -82.43005 92.17329 
1 1 1   22    9   15 o  375.473   32.032   3.6794   0.6124   3.9872   0.8347   3.3206   0.9012  392.826   41.332  358.119   48.948 34.70639 64.06399 
1 1 1   22    9   17 o  429.193   30.895   4.7091   0.6770   4.0286   0.9078   5.5613   1.0160  394.611   44.747  463.775   42.610 -69.16483 61.78971 
1 1 1   22    9   19 o  921.882   39.384   21.982   1.6326   21.854   1.8933   22.354   3.2236  919.249   40.061  924.516   67.820 -5.267395 78.76871 
1 1 1   22    9   21 o  955.472   42.099   25.760   1.7668   27.997   2.0812   19.987   3.3430  1040.06   38.921  870.887   74.663 169.1705 84.19857 
1 1 1   22    9   23 o  292.470   47.690   2.4663   0.7632   3.6069   1.0100   0.9480   1.1654  371.810   52.837  213.130   79.407 158.6803 95.37983 
1 1 1   22    9   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   27 o  779.891   38.483   15.876   1.4055   15.734   1.6707   16.220   2.5996  777.365   41.803  782.418   64.624 -5.052917 76.96593 
1 1 1   22    9   29 o  492.109   36.912   5.9907   0.8722   5.3767   1.0387   7.4590   1.6063  453.458   44.552  530.760   58.866 -77.30200 73.82477 
1 1 1   22    9   31 o  463.311   42.229   6.2831   0.7666   6.6767   0.8714   4.9355   1.6125  506.746   33.447  419.875   77.553 86.87109 84.45794 
1 1 1   22    9   33 o  504.839   37.248   6.5951   0.8037   6.4567   0.9084   7.0940   1.7246  497.406   35.521  512.271   65.481 -14.86502 74.49552 
1 1 1   22    9   35 o  747.165   33.379   13.486   1.1222   12.233   1.2801   17.645   2.3321  683.477   36.430  810.852   55.942 -127.3751 66.75829 
1 1 1   22    9   37 o  333.273   44.421   3.3548   0.6727   3.7940   0.8153   2.4185   1.1904  378.853   41.859  287.694   78.362 91.15903 88.84118 
1 1 1   22    9   39 o  460.317   36.146   5.5756   0.8554   5.5756   0.8554   0.0000   0.0000  460.317   36.146  ?   ?       ?      ? 
1 1 1   22    9   41 o  667.864   34.418   11.153   1.0403   10.275   1.1941   13.921   2.1196  623.552   37.246  712.176   57.890 -88.62408 68.83681 
1 1 1   22    9   43 o  191.784   39.003   0.8549   0.3589   0.6604   0.4088   1.5088   0.7495  155.336   47.096  228.231   62.185 -72.89491 78.00648 
1 1 1   22    9   45 o  359.393   44.393   4.1916   0.6553   4.6704   0.7613   2.8215   1.2878  419.179   35.323  299.608   81.458 119.5710 88.78696 
1 1 1   22    9   47 o  167.666   39.275   0.8046   0.4113   1.0250   0.4971   0.3265   0.7322  188.748   50.308  146.585   60.324 42.16301 78.54923 
1 1 1   22    9   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10    0 o  796.841   50.325   16.563   2.0428   16.563   2.0428   0.0000   0.0000  796.841   50.325  796.841   50.325 0.000000 0.000000 
1 1 1   22   10    2 o  1986.02   40.347   99.239   3.7254  108.981   7.1079   95.550   4.3744  2048.38   67.493  1923.66   44.230 124.7228 80.69501 
1 1 1   22   10    4 o  892.921   44.015   20.595   1.9684   21.055   3.1788   20.309   2.5069  900.111   68.691  885.732   55.052 14.37891 88.02911 
1 1 1   22   10    6 o  1529.61   39.915   60.189   2.8805   61.649   5.2733   59.567   3.4390  1540.49   66.581  1518.73   44.043 21.75549 79.83002 
1 1 1   22   10    8 o  1298.53   32.645   43.487   2.1736   44.703   3.2108   42.458   2.9531  1315.06   47.490  1282.00   44.805 33.05261 65.29005 
1 1 1   22   10   10 o  1692.68   31.923   74.061   2.7760   73.345   3.9943   74.730   3.8607  1684.57   46.119  1700.79   44.152 -16.21289 63.84639 
1 1 1   22   10   12 o  741.706   31.141   14.202   1.1851   12.981   1.6485   15.508   1.7048  708.638   45.247  774.773   42.799 -66.13525 62.28199 
1 1 1   22   10   14 o  1023.37   47.082   27.412   2.4249   27.968   3.1435   26.595   3.8105  1037.70   58.922  1009.04   73.451 28.65753 94.16405 
1 1 1   22   10   16 o  992.003   45.653   25.330   2.2859   24.133   2.9347   27.177   3.6452  963.570   59.239  1020.44   69.481 -56.86615 91.30616 
1 1 1   22   10   18 o  364.123   43.554   3.3732   0.6788   3.2449   0.7740   3.8005   1.4126  354.119   42.513  374.126   76.030 -20.00760 87.10856 
1 1 1   22   10   20 o  371.366   39.389   3.1915   0.6756   2.7493   0.7776   4.5531   1.3646  325.516   46.466  417.215   63.616 -91.69940 78.77880 
1 1 1   22   10   22 o  600.815   42.606   10.097   1.1218   10.812   1.3136   8.1703   2.1563  645.941   39.556  555.690   75.476 90.25061 85.21276 
1 1 1   22   10   24 o  705.127   40.993   12.911   1.4861   12.911   1.4861   0.0000   0.0000  705.127   40.993  ?   ?       ?      ? 
1 1 1   22   10   26 o  645.209   42.199   10.835   1.3998   10.835   1.3998   0.0000   0.0000  645.209   42.199  ?   ?       ?      ? 
1 1 1   22   10   28 o  478.996   35.809   5.5082   0.7275   5.1493   0.8117   6.9737   1.6402  445.261   35.460  512.730   62.222 -67.46869 71.61712 
1 1 1   22   10   30 o  911.925   37.567   21.812   1.6194   21.578   1.9381   22.353   2.9476  908.620   41.487  915.231   62.642 -6.610168 75.13483 
1 1 1   22   10   32 f  136.377   36.179   0.3273   0.2606   0.2957   0.2817   0.5150   0.6865  112.620   39.426  160.135   60.674 -47.51509 72.35814 
1 1 1   22   10   34 o  512.873   38.428   7.1111   0.8312   7.1797   0.9422   6.8703   1.7648  524.223   34.961  501.523   68.445 22.70056 76.85685 
1 1 1   22   10   36 o  356.417   43.098   3.6020   0.7010   3.7681   0.8472   3.2415   1.2480  377.350   43.671  335.483   74.315 41.86673 86.19642 
1 1 1   22   10   38 o  309.506   37.145   2.5217   0.5911   2.5217   0.5911   0.0000   0.0000  309.506   37.145  ?   ?       ?      ? 
1 1 1   22   10   40 o  508.013   41.074   7.3882   0.9872   8.0910   1.2239   6.0795   1.6700  551.168   43.190  464.857   69.878 86.31070 82.14774 
1 1 1   22   10   42 o  421.675   37.541   4.8712   0.7011   4.8929   0.8116   4.8074   1.3920  429.952   36.716  413.398   65.493 16.55408 75.08222 
1 1 1   22   10   44 o  509.495   38.706   7.3293   0.8542   7.4807   0.9843   6.8674   1.7195  530.665   36.078  488.325   68.491 42.34000 77.41229 
1 1 1   22   10   46 o  166.262   47.482   0.7804   0.4260   0.7804   0.4260   0.0000   0.0000  166.262   47.482  ?   ?       ?      ? 
1 1 1   22   10   48 o  366.009   46.046   3.7048   0.8665   3.7048   0.8665   0.0000   0.0000  366.009   46.046  ?   ?       ?      ? 
1 1 1   22   10   50 o  135.266   34.057   0.4931   0.3006   0.6336   0.3408   0.0000   0.6384  149.072   42.429  121.459   53.284 27.61267 68.11356 
1 1 1   22   11    1 o  956.043   33.229   23.359   1.6229   25.968   2.4709   21.380   2.1523  1002.37   47.946  909.718   46.018 92.65161 66.45700 
1 1 1   22   11    3 o  1260.38   50.312   41.370   3.2563   43.401   4.5852   39.302   4.6252  1292.07   69.024  1228.68   73.219 63.38501 100.6249 
1 1 1   22   11    5 o  2056.96   68.659  110.011   7.2610  110.011   7.2610   0.0000   0.0000  2056.96   68.659  ?   ?       ?      ? 
1 1 1   22   11    7 o  1614.58   49.522   67.246   4.0916   59.549   5.5179   76.648   6.0984  1512.57   70.956  1716.59   69.100 -204.0177 99.04311 
1 1 1   22   11    9 o  1297.26   43.667   43.123   2.6581   42.330   3.1550   45.065   4.9346  1279.45   47.963  1315.07   72.984 -35.62341 87.33331 
1 1 1   22   11   11 o  2463.02   42.469  156.092   4.7693  154.491   5.5673  160.506   9.2450  2444.97   44.290  2481.08   72.476 -36.10547 84.93770 
1 1 1   22   11   13 o  1337.18   41.070   45.132   2.4587   43.849   2.8294   49.089   4.9680  1302.59   42.250  1371.78   70.441 -69.19385 82.14041 
1 1 1   22   11   15 o  2044.72   46.665  110.000   4.7897  114.295   6.2138  103.712   7.5186  2097.67   57.617  1991.77   73.422 105.8960 93.33048 
1 1 1   22   11   17 o  336.707   47.163   3.0639   0.5661   3.0852   0.6106   2.9339   1.5103  345.710   34.355  327.705   87.847 18.00537 94.32607 
1 1 1   22   11   19 o  683.083   41.609   12.331   1.2553   12.493   1.4500   11.845   2.5076  694.743   40.595  671.424   72.644 23.31830 83.21752 
1 1 1   22   11   21 o  1039.09   36.567   27.330   1.5656   26.810   1.7448   29.478   3.5470  1018.43   33.323  1059.75   65.100 -41.32019 73.13315 
1 1 1   22   11   23 o  496.027   41.381   6.3879   1.0553   6.3879   1.0553   0.0000   0.0000  496.027   41.381  ?   ?       ?      ? 
1 1 1   22   11   25 o  613.152   39.517   10.320   0.9812   10.635   1.1020   9.1183   2.1556  640.779   33.452  585.525   71.605 55.25409 79.03387 
1 1 1   22   11   27 o  416.450   49.859   6.0136   0.7706   6.9136   0.8722   2.8117   1.6452  516.405   32.852  316.496   94.151 199.9098 99.71835 
1 1 1   22   11   29 o  569.745   35.789   7.8424   0.8760   7.3203   0.9822   9.8728   1.9369  530.460   36.013  609.031   61.858 -78.57178 71.57779 
1 1 1   22   11   31 o  728.253   38.458   13.938   1.3150   13.743   1.5650   14.405   2.4251  724.252   42.030  732.254   64.416 -8.001709 76.91532 
1 1 1   22   11   33 o  435.813   33.270   3.9788   0.6493   3.0345   0.7308   7.5181   1.4148  339.815   41.830  531.811   51.747 -191.9963 66.53914 
1 1 1   22   11   35 o  162.526   35.211   0.3888   0.2825   0.1704   0.3122   1.3769   0.6640  103.090   40.422  221.962   57.666 -118.8717 70.42247 
1 1 1   22   11   37 o  372.380   45.426   3.6880   0.8697   3.6880   0.8697   0.0000   0.0000  372.380   45.426  ?   ?       ?      ? 
1 1 1   22   11   39 o  328.675   34.566   2.4287   0.5193   1.9414   0.5916   4.0642   1.0839  270.287   42.576  387.063   54.467 -116.7754 69.13258 
1 1 1   22   11   41 o  156.398   34.613   0.4146   0.2644   0.2386   0.2925   1.2014   0.6185  106.872   39.790  205.924   56.647 -99.05199 69.22525 
1 1 1   22   11   43 o  344.560   46.577   3.8802   0.7437   4.7964   0.9224   2.1787   1.2571  422.829   42.433  266.290   82.929 156.5387 93.15465 
1 1 1   22   11   45 o  215.589   41.664   1.4259   0.4796   1.6579   0.5888   0.9686   0.8267  242.147   48.980  189.031   67.413 53.11595 83.32799 
1 1 1   22   11   47 o  204.738   41.715   1.2046   0.4418   1.1407   0.5359   1.3402   0.7806  198.228   51.955  211.249   65.277 -13.02112 83.42905 
1 1 1   22   11   49 o  250.137   44.526   1.7633   0.5336   1.4927   0.6330   2.4280   0.9920  223.615   55.354  276.660   69.758 -53.04521 89.05167 
1 1 1   22   12    0 o  162.349   60.758   0.9148   0.4730   0.0000   0.0000   0.9148   0.4730  162.349   60.758  162.349   60.758 -0.000000 0.000000 
1 1 1   22   12    2 o  2235.14   43.712  134.517   4.3641  140.048   5.1071  119.552   8.4015  2328.92   42.653  2141.36   76.312 187.5625 87.42350 
1 1 1   22   12    4 o  810.002   40.453   16.283   1.5149   15.427   1.7667   18.660   2.9441  772.786   44.467  847.218   67.590 -74.43188 80.90565 
1 1 1   22   12    6 f  979.050   38.990   22.550   1.7804   19.823   2.0662   30.412   3.5082  875.824   45.887  1082.28   63.048 -206.4531 77.97902 
1 1 1   22   12    8 o  2375.81   40.762  144.672   3.9797  143.567   4.4420  149.166   8.9589  2359.14   36.623  2392.48   72.835 -33.33911 81.52402 
1 1 1   22   12   10 o  677.895   39.975   11.319   1.1017   10.961   1.2187   12.918   2.5770  651.811   36.366  703.980   71.201 -52.16907 79.95054 
1 1 1   22   12   12 o  1058.49   37.356   26.405   1.5995   24.932   1.7580   33.483   3.8547  983.061   34.783  1133.91   66.122 -150.8528 74.71267 
1 1 1   22   12   14 o  135.987   35.703   0.3940   0.2432   0.4348   0.2555   0.0000   0.7940  128.333   36.809  143.641   61.188 -15.30815 71.40648 
1 1 1   22   12   16 f  652.089   41.581   10.888   1.0223   10.807   1.1142   11.324   2.5715  647.101   33.489  657.078   76.120 -9.976685 83.16102 
1 1 1   22   12   18 o  338.929   48.534   3.4608   0.5947   3.6372   0.6451   2.4627   1.5342  375.293   33.435  302.564   91.127 72.72940 97.06733 
1 1 1   22   12   20 o  657.226   43.822   12.077   1.2465   12.862   1.4489   9.8401   2.4451  704.638   39.994  609.814   77.987 94.82373 87.64445 
1 1 1   22   12   22 o  541.783   41.018   7.6172   1.1425   7.6172   1.1425   0.0000   0.0000  541.783   41.018  ?   ?       ?      ? 
1 1 1   22   12   24 o  241.200   43.661   1.2575   0.4095   1.1198   0.4402   2.1402   1.1147  203.696   43.368  278.704   75.793 -75.00867 87.32281 
1 1 1   22   12   26 f  1142.56   38.124   33.868   2.0373   33.268   2.4145   35.350   3.7960  1130.22   41.551  1154.89   63.932 -24.66443 76.24860 
1 1 1   22   12   28 f  472.226   44.746   6.4381   0.7952   6.7117   0.8878   5.3278   1.7884  508.373   33.966  436.078   82.796 72.29535 89.49264 
1 1 1   22   12   30 o  705.587   40.640   13.696   1.3046   14.308   1.5464   12.187   2.4296  739.723   40.662  671.451   70.379 68.27209 81.28101 
1 1 1   22   12   32 o  220.577   41.793   1.4363   0.4227   1.5548   0.4615   0.8187   1.0532  243.935   36.799  197.219   75.050 46.71648 83.58624 
1 1 1   22   12   34 o  356.626   46.360   3.9729   0.6411   4.2757   0.7190   2.7972   1.4167  404.432   34.579  308.819   86.030 95.61252 92.71902 
1 1 1   22   12   36 o  351.174   67.029   3.4904   1.1661   3.4904   1.1661   0.0000   0.0000  351.174   67.029  ?   ?       ?      ? 
1 1 1   22   12   38 f  158.977   34.877   0.7439   0.3235   0.9318   0.3620   0.0000   0.7204  184.512   39.362  133.442   57.586 51.07022 69.75348 
1 1 1   22   12   40 o  294.112   47.476   2.5017   0.7062   2.0256   0.9804   3.0152   1.0181  263.004   70.894  325.219   63.166 -62.21460 94.95224 
1 1 1   22   12   42 o  129.059   36.087   0.3069   0.3306   0.4005   0.3777   0.0000   0.6841  128.911   45.608  129.208   55.937 -0.2968597 72.17390 
1 1 1   22   12   44 o  411.574   36.222   4.4261   0.6640   4.1978   0.7605   5.1581   1.3616  396.760   37.283  426.388   62.114 -29.62808 72.44406 
1 1 1   22   12   46 o  320.000   40.988   2.7733   0.6408   2.3012   0.7913   3.6730   1.0923  281.370   56.662  358.631   59.240 -77.26138 81.97501 
1 1 1   22   12   48 o  294.759   37.669   2.3523   0.5708   2.3523   0.5708   0.0000   0.0000  294.759   37.669  ?   ?       ?      ? 
1 1 1   22   12   50 o  162.208   39.074   0.6253   0.3293   0.5123   0.3683   1.0763   0.7357  136.339   45.128  188.076   63.801 -51.73715 78.14771 
1 1 1   22   13    1 o  131.133   37.945   0.1468   0.4095   0.0000   0.6083   0.2685   0.5538  126.020   53.617  136.247   53.708 -10.22678 75.89015 
1 1 1   22   13    3 o  541.918   42.731   7.5706   1.0478   7.5174   1.2188   7.7215   2.0514  539.457   43.946  544.379   73.297 -4.921997 85.46115 
1 1 1   22   13    5 o  2089.20   43.190  112.739   4.6391  112.739   4.6391   0.0000   0.0000  2089.20   43.190  ?   ?       ?      ? 
1 1 1   22   13    7 o  402.656   44.211   4.0537   0.7788   3.8324   0.8948   4.7451   1.5815  385.073   45.199  420.240   75.996 -35.16791 88.42136 
1 1 1   22   13    9 o  1508.20   45.634   60.462   3.1864   62.298   3.7954   56.078   5.8649  1551.82   47.571  1464.57   77.889 87.25305 91.26770 
1 1 1   22   13   11 o  1098.43   41.480   31.626   1.7789   31.787   1.9619   30.885   4.2188  1110.03   34.377  1086.84   75.501 23.18750 82.95914 
1 1 1   22   13   13 o  154.525   38.259   0.5764   0.2956   0.6433   0.3122   0.0000   0.9168  154.842   39.186  154.209   65.722 0.6327515 76.51759 
1 1 1   22   13   15 o  489.681   42.282   5.9695   0.7692   5.8527   0.8331   6.6446   2.0027  476.193   34.027  503.170   77.416 -26.97714 84.56408 
1 1 1   22   13   17 o  1654.56   37.417   67.332   2.4648   65.228   2.7099   77.412   5.9313  1589.40   33.163  1719.72   67.084 -130.3212 74.83360 
1 1 1   22   13   19 o  678.652   45.683   11.768   1.5486   10.866   1.9408   13.349   2.5694  644.946   58.530  712.357   70.157 -67.41083 91.36586 
1 1 1   22   13   21 o  170.595   46.449   0.7816   0.4184   0.7816   0.4184   0.0000   0.0000  170.595   46.449  ?   ?       ?      ? 
1 1 1   22   13   23 o  943.056   37.790   23.179   1.4519   23.116   1.6188   23.436   3.2825  944.954   33.321  941.158   67.837 3.795715 75.57928 
1 1 1   22   13   25 o  202.394   43.543   1.0644   0.3845   1.0964   0.4104   0.8343   1.1006  201.737   40.965  203.051   76.850 -1.313721 87.08628 
1 1 1   22   13   27 o  877.084   37.350   18.954   1.5492   17.158   1.8234   23.615   2.9374  810.377   43.764  943.792   60.536 -133.4145 74.69906 
1 1 1   22   13   29 o  162.203   41.219   0.5463   0.2985   0.5454   0.3131   0.5549   0.9879  142.711   40.692  181.695   71.696 -38.98465 82.43881 
1 1 1   22   13   31 o  325.823   43.379   2.9430   0.5580   2.9720   0.6205   2.8207   1.2756  337.510   35.761  314.136   79.044 23.37311 86.75754 
1 1 1   22   13   33 o  166.511   40.910   0.6536   0.3413   0.6676   0.3681   0.5682   0.9102  156.839   43.912  176.182   69.039 -19.34332 81.82050 
1 1 1   22   13   35 o  343.779   44.183   3.1304   0.7809   3.1304   0.7809   0.0000   0.0000  343.779   44.183  ?   ?       ?      ? 
1 1 1   22   13   37 o  340.240   39.810   2.7563   0.6335   2.1058   0.7437   4.4768   1.2095  274.921   54.542  405.558   58.005 -130.6367 79.62090 
1 1 1   22   13   39 o  551.661   37.113   7.5746   0.9947   6.3363   1.1920   10.413   1.8048  485.882   47.718  617.440   56.856 -131.5586 74.22685 
1 1 1   22   13   41 o  269.382   42.057   2.4135   0.5150   2.7737   0.5895   1.2521   1.0585  324.059   35.380  214.705   76.311 109.3539 84.11386 
1 1 1   22   13   43 o  623.810   37.376   10.573   1.0252   10.441   1.1780   10.985   2.0814  626.717   36.560  620.904   65.202 5.813477 74.75275 
1 1 1   22   13   45 o  305.881   41.197   2.5331   0.5401   2.3955   0.6139   3.0047   1.1364  298.204   40.040  313.558   72.010 -15.35413 82.39320 
1 1 1   22   13   47 o  213.068   43.694   1.2835   0.4626   1.2835   0.4626   0.0000   0.0000  213.068   43.694  ?   ?       ?      ? 
1 1 1   22   13   49 o  222.856   49.042   1.5722   0.6226   1.3849   0.8513   1.7875   0.9129  209.960   68.568  235.752   70.136 -25.79138 98.08472 
1 1 1   22   14    0 o  1286.25   73.142   43.231   4.8011   0.0000   0.0000   43.231   4.8011  1286.25   73.142  1286.25   73.142 -0.000000 0.000000 
1 1 1   22   14    2 o  974.631   40.131   23.031   1.8049   21.222   2.0925   28.288   3.5672  906.232   44.912  1043.03   66.521 -136.7981 80.26257 
1 1 1   22   14    4 o  850.864   42.718   18.976   1.6367   19.181   1.9075   18.401   3.1870  861.706   43.057  840.023   73.794 21.68274 85.43649 
1 1 1   22   14    6 o  609.230   38.836   8.4793   1.1004   7.1570   1.2703   12.453   2.2022  526.063   46.968  692.397   61.863 -166.3340 77.67262 
1 1 1   22   14    8 o  225.763   43.167   1.0684   0.4428   0.8148   0.4964   2.0569   0.9801  175.875   51.561  275.651   69.247 -99.77606 86.33466 
1 1 1   22   14   10 o  1857.21   41.323   89.723   3.0609   89.806   3.3923   89.359   7.1003  1865.56   35.368  1848.86   74.697 16.70520 82.64692 
1 1 1   22   14   12 o  153.903   37.865   0.3816   0.2517   0.3189   0.2663   0.9055   0.7701  114.703   38.390  193.104   65.277 -78.40171 75.72919 
1 1 1   22   14   14 o  191.270   39.793   0.6828   0.3077   0.5656   0.3292   1.4942   0.8661  146.153   41.738  236.387   67.762 -90.23393 79.58529 
1 1 1   22   14   16 o  569.682   45.912   9.0597   1.1224   9.6174   1.2985   7.4118   2.2321  609.546   41.434  529.818   81.945 79.72760 91.82459 
1 1 1   22   14   18 o  308.972   42.825   1.9483   0.5403   1.5513   0.5935   3.8678   1.3051  239.946   49.746  377.998   69.723 -138.0523 85.65032 
1 1 1   22   14   20 o  343.460   42.325   3.0619   0.7474   3.0619   0.7474   0.0000   0.0000  343.460   42.325  ?   ?       ?      ? 
1 1 1   22   14   22 o  356.909   43.523   3.2023   0.6679   3.0169   0.7604   3.8291   1.3979  340.586   43.424  373.232   75.442 -32.64655 87.04650 
1 1 1   22   14   24 o  356.857   41.304   3.1993   0.5794   3.0741   0.6403   3.7656   1.3619  344.201   36.180  369.514   74.263 -25.31378 82.60725 
1 1 1   22   14   26 f  754.293   40.518   15.020   1.3911   15.017   1.6281   15.028   2.6776  758.846   41.731  749.740   69.465 9.106689 81.03638 
1 1 1   22   14   28 o  461.055   46.425   6.1616   0.7983   6.4045   0.8883   5.1426   1.8197  496.243   34.819  425.868   86.073 70.37466 92.84902 
1 1 1   22   14   30 o  212.997   46.955   1.1048   0.4858   1.0197   0.5433   1.4441   1.0848  193.044   53.089  232.949   77.464 -39.90527 93.91000 
1 1 1   22   14   32 o  427.760   44.551   5.3790   0.7277   5.6327   0.8169   4.4040   1.6014  464.565   34.201  390.955   82.277 73.60980 89.10285 
1 1 1   22   14   34 o  247.919   47.285   1.8587   0.6844   2.6206   0.8660   0.5912   1.1169  307.647   56.843  188.191   75.580 119.4557 94.56954 
1 1 1   22   14   36 o  717.395   38.639   13.322   1.3152   12.451   1.5614   15.449   2.4406  684.625   44.359  750.165   63.280 -65.53979 77.27887 
1 1 1   22   14   38 o  292.280   44.753   2.7456   0.6188   3.2380   0.7355   1.5521   1.1450  349.456   40.936  235.105   79.595 114.3502 89.50507 
1 1 1   22   14   40 o  572.680   40.835   9.1721   1.0987   9.4356   1.3268   8.5972   1.9600  594.159   43.434  551.201   69.164 42.95807 81.67062 
1 1 1   22   14   42 o  215.301   32.152   0.8008   0.3386   0.3022   0.3827   2.5988   0.7268  120.373   45.375  310.228   45.566 -189.8552 64.30496 
1 1 1   22   14   44 o  259.874   42.122   2.0570   0.4895   2.1695   0.5569   1.6750   1.0265  284.719   38.043  235.029   75.165 49.69019 84.24458 
1 1 1   22   14   46 o  128.887   50.639   0.3186   0.4908   0.3186   0.4908   0.0000   0.0000  128.887   50.639  ?   ?       ?      ? 
1 1 1   22   14   48 o  405.973   38.322   4.4839   0.7999   4.4839   0.7999   0.0000   0.0000  405.973   38.322  ?   ?       ?      ? 
1 1 1   22   15    1 o  1022.60   51.558   27.274   2.7092   26.149   3.8146   28.418   3.8485  1001.09   74.114  1044.12   71.693 -43.02655 103.1154 
1 1 1   22   15    3 o  870.023   45.793   20.997   1.7366   22.377   2.0242   17.147   3.3801  930.699   42.304  809.348   81.232 121.3516 91.58699 
1 1 1   22   15    5 o  1493.92   43.021   57.674   3.3043   57.674   3.3043   0.0000   0.0000  1493.92   43.021  ?   ?       ?      ? 
1 1 1   22   15    7 o  658.752   40.051   10.338   1.2155   9.3197   1.4034   13.396   2.4316  600.269   45.474  717.235   65.943 -116.9660 80.10220 
1 1 1   22   15    9 f  639.074   44.743   10.214   1.3560   9.6063   1.6085   11.706   2.5210  608.835   51.386  669.312   73.263 -60.47656 89.48675 
1 1 1   22   15   11 o  811.217   38.436   15.692   1.2381   14.965   1.3558   19.341   3.0377  761.523   34.629  860.911   68.631 -99.38757 76.87222 
1 1 1   22   15   13 o  1518.49   38.963   57.631   2.3179   56.432   2.5427   63.527   5.6388  1478.69   33.446  1558.29   70.383 -79.60571 77.92609 
1 1 1   22   15   15 o  755.171   41.734   15.290   1.1979   15.508   1.3155   14.233   2.8982  775.000   33.015  735.341   76.660 39.65936 83.46721 
1 1 1   22   15   17 o  1078.36   39.855   30.115   2.2096   30.115   2.2096   0.0000   0.0000  1078.36   39.855  ?   ?       ?      ? 
1 1 1   22   15   19 o  1012.11   41.161   26.572   2.1418   26.572   2.1418   0.0000   0.0000  1012.11   41.161  ?   ?       ?      ? 
1 1 1   22   15   21 o  260.993   43.698   1.7802   0.4590   1.7703   0.5005   1.8323   1.1518  261.316   37.254  260.669   79.059 0.6475525 87.39619 
1 1 1   22   15   23 o  385.158   42.754   3.9728   0.6350   3.9724   0.7042   3.9744   1.4692  391.424   34.993  378.891   78.021 12.53360 85.50852 
1 1 1   22   15   25 o  787.574   36.614   15.289   1.1922   14.647   1.3240   18.040   2.7410  751.268   34.280  823.880   64.710 -72.61133 73.22900 
1 1 1   22   15   27 o  600.032   45.799   10.390   1.1822   11.215   1.3793   8.1073   2.2948  655.371   40.935  544.694   81.944 110.6765 91.59899 
1 1 1   22   15   29 o  585.818   37.689   8.6911   0.9169   8.4193   1.0227   9.8050   2.0703  568.514   34.989  603.121   66.766 -34.60687 75.37883 
1 1 1   22   15   31 o  396.075   40.555   3.6905   0.7360   3.1558   0.8427   5.4086   1.5107  345.501   47.444  446.650   65.786 -101.1486 81.10917 
1 1 1   22   15   33 o  469.116   49.461   6.2094   1.1392   6.7660   1.5208   5.4978   1.7196  500.476   59.103  437.756   79.325 62.71948 98.92207 
1 1 1   22   15   35 o  855.348   39.246   19.446   1.5895   18.954   1.9004   20.592   2.8999  845.457   43.721  865.240   65.189 -19.78241 78.49281 
1 1 1   22   15   37 o  256.791   44.904   1.8593   0.5396   1.8485   0.6281   1.8898   1.0541  258.756   49.008  254.826   75.256 3.929764 89.80727 
1 1 1   22   15   39 o  474.385   38.753   6.1345   0.7874   6.1354   0.8969   6.1316   1.6443  482.163   36.183  466.606   68.543 15.55750 77.50651 
1 1 1   22   15   41 o  247.680   40.159   1.4626   0.4114   1.2762   0.4542   2.3163   0.9718  214.934   42.604  280.426   68.088 -65.49146 80.31879 
1 1 1   22   15   43 o  502.244   32.949   5.3812   0.7409   4.0066   0.8340   10.529   1.6139  385.671   42.060  618.817   50.729 -233.1460 65.89704 
1 1 1   22   15   45 f  301.446   47.298   2.5017   0.7330   2.5017   0.7330   0.0000   0.0000  301.446   47.298  ?   ?       ?      ? 
1 1 1   22   15   47 o  267.554   44.983   2.3874   0.6179   2.8290   0.7472   1.4323   1.0988  319.578   45.475  215.530   77.627 104.0472 89.96648 
1 1 1   22   15   49 o  140.580   36.784   0.4358   0.3328   0.2997   0.4006   0.7391   0.5980  119.042   46.035  162.117   57.384 -43.07564 73.56760 
1 1 1   22   16    0 o  1681.86   73.170   73.690   6.2997   73.690   6.2997   0.0000   0.0000  1681.86   73.170  1681.86   73.170 0.000000 0.000000 
1 1 1   22   16    2 o  860.165   52.110   19.436   2.2874   21.886   3.2122   16.915   3.2579  916.471   68.174  803.859   78.829 112.6124 104.2195 
1 1 1   22   16    4 o  169.321   41.219   0.6598   0.3715   0.6762   0.4123   0.5886   0.8569  160.308   46.989  178.333   67.734 -18.02473 82.43710 
1 1 1   22   16    6 f  1296.53   41.789   42.492   2.4470   41.254   2.8288   46.171   4.8770  1263.17   43.559  1329.89   71.329 -66.72290 83.57701 
1 1 1   22   16    8 o  1367.01   40.489   45.436   2.5209   42.205   2.9036   55.329   5.0808  1277.42   44.211  1456.60   67.845 -179.1831 80.97871 
1 1 1   22   16   10 o  954.183   42.863   23.065   1.8632   22.371   2.1642   25.053   3.6626  929.712   45.276  978.653   72.793 -48.94043 85.72517 
1 1 1   22   16   12 o  1711.73   39.883   74.534   2.6389   73.686   2.8910   78.770   6.4620  1689.63   33.280  1733.82   72.493 -44.19641 79.76672 
1 1 1   22   16   14 o  962.848   41.638   23.910   1.7191   23.697   1.9492   24.656   3.6480  957.023   39.615  968.672   73.249 -11.64850 83.27537 
1 1 1   22   16   16 o  1966.79   56.988  100.958   5.7625  100.958   5.7625   0.0000   0.0000  1966.79   56.988  ?   ?       ?      ? 
1 1 1   22   16   18 o  474.993   33.637   5.8350   0.8214   5.8350   0.8214   0.0000   0.0000  474.993   33.637  ?   ?       ?      ? 
1 1 1   22   16   20 o  450.432   40.523   4.8453   0.8165   4.4117   0.9288   6.3210   1.7134  411.861   43.863  489.004   68.150 -77.14270 81.04553 
1 1 1   22   16   22 o  326.249   47.530   3.6660   0.6111   4.1218   0.6747   1.5827   1.4423  398.935   32.894  253.562   89.187 145.3737 95.06004 
1 1 1   22   16   24 o  176.373   39.591   0.7931   0.3351   0.8223   0.3647   0.6345   0.8499  174.244   41.333  178.501   67.539 -4.257172 79.18246 
1 1 1   22   16   26 f  658.496   41.816   12.262   1.0787   12.744   1.2038   10.295   2.4298  700.526   33.425  616.466   76.663 84.06067 83.63280 
1 1 1   22   16   28 o  888.312   40.947   20.623   1.6470   20.200   1.9132   21.833   3.2371  878.138   42.377  898.487   70.076 -20.34894 81.89336 
1 1 1   22   16   30 o  654.883   47.738   11.769   1.5777   12.490   2.0886   10.810   2.4077  682.363   59.534  627.403   74.643 54.96045 95.47687 
1 1 1   22   16   32 o  411.159   49.955   4.5476   1.0176   3.8723   1.2980   5.6245   1.6392  370.160   70.782  452.157   70.512 -81.99637 99.91023 
1 1 1   22   16   34 o  344.172   36.031   3.1084   0.6376   3.1084   0.6376   0.0000   0.0000  344.172   36.031  ?   ?       ?      ? 
1 1 1   22   16   36 o  352.731   40.793   3.2166   0.5830   3.0654   0.6507   3.8326   1.3133  341.158   37.097  364.303   72.664 -23.14517 81.58605 
1 1 1   22   16   38 o  536.111   36.331   7.0581   0.8366   6.5206   0.9374   9.1626   1.8547  497.094   36.678  575.128   62.726 -78.03314 72.66261 
1 1 1   22   16   40 f  161.619   39.259   0.6946   0.3904   0.8327   0.4592   0.3353   0.7410  172.913   49.271  150.326   61.136 22.58702 78.51899 
1 1 1   22   16   42 o  466.424   40.794   6.1808   0.7944   6.2781   0.9014   5.8427   1.6810  486.070   36.070  446.777   73.182 39.29309 81.58835 
1 1 1   22   16   44 f  203.368   42.038   1.1371   0.4341   1.0280   0.5134   1.4105   0.8129  189.242   51.426  217.494   66.514 -28.25163 84.07564 
1 1 1   22   16   46 o  303.171   45.374   2.8253   0.6544   2.9718   0.7957   2.5190   1.1505  327.233   47.295  279.109   77.448 48.12402 90.74701 
1 1 1   22   16   48 o  139.063   34.949   0.5065   0.2860   0.5438   0.3229   0.3708   0.6159  139.050   41.790  139.077   56.029 -0.2726746E-01 69.89732 
1 1 1   22   17    1 o  1649.49   51.721   71.074   4.3854   69.156   6.1577   73.048   6.2470  1626.74   73.626  1672.24   72.661 -45.50305 103.4428 
1 1 1   22   17    3 o  819.508   43.473   16.905   1.6958   16.044   2.0209   18.954   3.1175  786.985   49.947  852.030   71.168 -65.04425 86.94534 
1 1 1   22   17    5 o  1021.43   42.075   26.750   1.9563   26.333   2.2788   27.917   3.8149  1009.07   43.925  1033.78   71.776 -24.71027 84.15009 
1 1 1   22   17    7 o  738.558   42.026   13.706   1.4007   13.214   1.6162   15.188   2.8074  714.741   43.983  762.375   71.625 -47.63342 84.05171 
1 1 1   22   17    9 o  355.251   56.533   3.5207   0.9989   3.9227   1.3018   2.9449   1.5578  381.942   68.826  328.559   89.703 53.38287 113.0650 
1 1 1   22   17   11 o  545.921   42.879   7.6426   0.9782   7.5533   1.0974   7.9879   2.1580  540.459   39.493  551.384   76.124 -10.92542 85.75887 
1 1 1   22   17   13 o  527.681   39.554   7.2053   1.0731   7.2053   1.0731   0.0000   0.0000  527.681   39.554  ?   ?       ?      ? 
1 1 1   22   17   15 o  947.902   33.405   23.221   1.6280   23.221   1.6280   0.0000   0.0000  947.902   33.405  ?   ?       ?      ? 
1 1 1   22   17   17 o  224.866   43.950   1.4342   0.4841   1.5635   0.5494   0.9853   1.0235  241.359   45.953  208.374   74.933 32.98512 87.90089 
1 1 1   22   17   19 o  602.359   38.669   7.9471   1.0349   6.6519   1.1631   12.868   2.2672  505.618   44.745  699.101   63.079 -193.4829 77.33739 
1 1 1   22   17   21 o  769.500   39.765   15.239   1.1999   15.068   1.3203   16.047   2.8758  762.647   33.672  776.353   72.049 -13.70587 79.52951 
1 1 1   22   17   23 o  425.303   51.505   5.8914   0.7555   6.3533   0.8284   3.6081   1.8418  495.085   32.546  355.522   97.734 139.5633 103.0101 
1 1 1   22   17   25 o  324.510   45.939   2.8369   0.6626   2.8116   0.7678   2.9108   1.3119  327.664   45.576  321.356   79.776 6.307465 91.87746 
1 1 1   22   17   27 o  476.926   40.576   5.7307   0.8965   5.3475   1.0452   6.7977   1.7440  451.367   45.038  502.486   67.507 -51.11862 81.15235 
1 1 1   22   17   29 o  270.398   46.657   1.7111   0.5753   1.3406   0.6578   2.9151   1.1859  220.030   57.510  320.765   73.485 -100.7348 93.31384 
1 1 1   22   17   31 o  159.626   41.039   0.6104   0.3514   0.6883   0.3731   0.0000   1.0445  159.083   44.090  160.170   69.231 -1.087387 82.07851 
1 1 1   22   17   33 f  176.039   43.478   0.8516   0.3912   0.8516   0.3912   0.0000   0.0000  176.039   43.478  ?   ?       ?      ? 
1 1 1   22   17   35 o  207.167   43.153   1.0772   0.3855   1.0361   0.4168   1.3203   1.0135  194.083   42.910  220.251   74.883 -26.16783 86.30630 
1 1 1   22   17   37 o  857.187   38.713   18.764   1.5750   16.985   1.8608   23.256   2.9574  797.234   45.399  917.139   62.719 -119.9049 77.42561 
1 1 1   22   17   39 o  205.629   42.171   1.1931   0.3992   1.2271   0.4365   1.0196   0.9866  211.211   41.675  200.048   73.327 11.16310 84.34229 
1 1 1   22   17   41 o  416.614   46.209   5.2271   0.7523   5.4190   0.8492   4.5268   1.6220  451.686   36.568  381.543   84.876 70.14319 92.41808 
1 1 1   22   17   43 o  528.024   40.649   7.5863   1.0147   7.1818   1.2063   8.5646   1.8761  513.262   45.714  542.786   67.228 -29.52484 81.29794 
1 1 1   22   17   45 o  290.766   39.141   2.2863   0.5851   2.2863   0.5851   0.0000   0.0000  290.766   39.141  ?   ?       ?      ? 
1 1 1   22   17   47 o  180.175   40.983   0.9051   0.4074   0.8048   0.4908   1.1274   0.7304  166.860   51.793  193.491   63.528 -26.63130 81.96533 
1 1 1   22   18    0 o  439.128   92.187   5.6164   1.8329   0.0000   0.0000   5.6164   1.8329  439.128   92.187  439.128   92.187 -0.000000 0.000000 
1 1 1   22   18    2 o  835.399   52.147   18.243   2.2378   17.227   3.1282   19.307   3.2025  811.351   74.993  859.446   72.478 -48.09491 104.2932 
1 1 1   22   18    4 o  205.799   51.836   1.1409   0.5482   1.1409   0.5482   0.0000   0.0000  205.799   51.836  ?   ?       ?      ? 
1 1 1   22   18    6 o  470.710   56.520   5.7580   1.3678   5.7580   1.3678   0.0000   0.0000  470.710   56.520  ?   ?       ?      ? 
1 1 1   22   18    8 o  720.184   47.665   13.642   1.6813   13.852   2.0925   13.260   2.8243  729.910   55.759  710.458   77.322 19.45111 95.33013 
1 1 1   22   18   10 o  1077.14   39.160   30.008   2.1686   30.008   2.1686   0.0000   0.0000  1077.14   39.160  ?   ?       ?      ? 
1 1 1   22   18   12 o  219.018   35.891   1.2401   0.4041   1.2401   0.4041   0.0000   0.0000  219.018   35.891  ?   ?       ?      ? 
1 1 1   22   18   14 o  530.065   33.883   7.2632   0.9234   7.2632   0.9234   0.0000   0.0000  530.065   33.883  ?   ?       ?      ? 
1 1 1   22   18   16 o  1170.01   43.277   36.261   2.2009   36.583   2.5221   35.233   4.5071  1187.41   41.313  1152.61   76.058 34.79578 86.55401 
1 1 1   22   18   18 o  666.273   40.807   11.476   1.0487   11.389   1.1498   11.903   2.5573  663.315   33.715  669.230   74.325 -5.915466 81.61418 
1 1 1   22   18   20 o  612.499   53.868   11.737   1.2538   13.063   1.4375   7.5187   2.5636  709.066   39.433  515.932  100.260 193.1334 107.7355 
1 1 1   22   18   22 o  186.186   43.133   0.8880   0.4287   0.9442   0.4826   0.6784   0.9330  186.575   49.499  185.798   70.652 0.7769775 86.26604 
1 1 1   22   18   24 o  352.046   47.088   3.5273   0.7107   3.6822   0.8198   3.0587   1.4259  375.466   42.468  328.625   84.057 46.84140 94.17596 
1 1 1   22   18   26 f  311.752   44.196   2.8195   0.5385   2.9253   0.5958   2.3476   1.2582  335.298   34.562  288.205   81.354 47.09348 88.39154 
1 1 1   22   18   28 o  507.114   48.479   7.9339   0.8868   8.4754   0.9888   5.7087   2.0045  570.406   33.719  443.823   90.906 126.5820 96.95811 
1 1 1   22   18   30 o  294.336   51.220   2.4239   0.7530   2.2619   0.9549   2.6903   1.2244  283.032   66.712  305.641   77.739 -22.60928 102.4396 
1 1 1   22   18   32 o  613.214   35.304   9.8506   1.1130   9.8506   1.1130   0.0000   0.0000  613.214   35.304  ?   ?       ?      ? 
1 1 1   22   18   34 f  357.181   41.415   3.4124   0.5969   3.3358   0.6687   3.7125   1.3242  356.195   36.517  358.167   74.347 -1.971283 82.83086 
1 1 1   22   18   36 o  735.309   40.046   14.901   1.2177   15.036   1.3721   14.403   2.6414  755.987   35.303  714.630   71.892 41.35632 80.09256 
1 1 1   22   18   38 o  142.003   36.296   0.4982   0.2919   0.5760   0.3139   0.0000   0.7947  145.046   40.527  138.961   60.225 6.085724 72.59177 
1 1 1   22   18   40 o  307.191   44.076   2.3054   0.6116   1.7819   0.7059   3.8807   1.2246  249.610   56.344  364.772   67.794 -115.1616 88.15137 
1 1 1   22   18   42 o  444.487   52.098   7.0462   0.8627   7.9382   0.9800   3.9762   1.8181  546.530   34.877  342.444   98.186 204.0862 104.1963 
1 1 1   22   18   44 o  160.048   42.239   0.7214   0.3526   0.7214   0.3526   0.0000   0.0000  160.048   42.239  ?   ?       ?      ? 
1 1 1   22   18   46 o  244.527   46.746   1.8283   0.5674   1.7993   0.6738   1.8991   1.0522  246.985   54.522  242.068   75.948 4.917389 93.49252 
1 1 1   22   18   48 o  177.060   36.508   0.6618   0.2985   0.4576   0.3307   1.5590   0.6932  129.442   42.759  224.678   59.186 -95.23582 73.01600 
1 1 1   22   19    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19    3 o  420.501   75.859   4.7723   1.5797   4.7723   1.5797   0.0000   0.0000  420.501   75.859  ?   ?       ?      ? 
1 1 1   22   19    5 o  223.460   62.385   1.3396   0.7441   1.3396   0.7441   0.0000   0.0000  223.460   62.385  ?   ?       ?      ? 
1 1 1   22   19    7 o  1586.24   56.246   65.483   4.5870   65.483   4.5870   0.0000   0.0000  1586.24   56.246  ?   ?       ?      ? 
1 1 1   22   19    9 o  583.472   69.148   8.9274   2.0743   8.9274   2.0743   0.0000   0.0000  583.472   69.148  ?   ?       ?      ? 
1 1 1   22   19   11 o  473.868   34.115   5.8032   0.8311   5.8032   0.8311   0.0000   0.0000  473.868   34.115  ?   ?       ?      ? 
1 1 1   22   19   13 o  241.656   42.318   1.8541   0.4527   2.0693   0.4934   0.7115   1.1370  282.902   33.926  200.410   77.539 82.49263 84.63628 
1 1 1   22   19   15 o  323.277   47.951   3.2253   0.5849   3.4361   0.6383   2.1195   1.4619  364.424   34.066  282.130   89.648 82.29425 95.90252 
1 1 1   22   19   17 o  710.538   42.159   12.816   1.3183   12.413   1.5044   14.151   2.7366  691.064   42.343  730.012   72.914 -38.94818 84.31719 
1 1 1   22   19   19 o  562.029   76.302   8.4475   2.2048   0.0000   0.0000   8.4475   2.2048  ?   ?   562.029   76.302      ?      ? 
1 1 1   22   19   21 f  669.716   43.439   11.963   1.2643   12.052   1.4490   11.681   2.5882  680.168   41.436  659.263   76.361 20.90558 86.87863 
1 1 1   22   19   23 o  328.862   44.242   2.7792   0.5373   2.7114   0.5831   3.1608   1.3835  323.013   35.110  334.711   81.221 -11.69836 88.48479 
1 1 1   22   19   25 o  246.135   43.244   1.5296   0.4204   1.4918   0.4535   1.7603   1.1211  239.260   36.870  253.011   78.235 -13.75098 86.48745 
1 1 1   22   19   27 o  407.643   43.806   4.3532   0.7763   4.1858   0.8937   4.8673   1.5665  399.171   43.549  416.115   76.022 -16.94360 87.61231 
1 1 1   22   19   29 o  270.197   45.411   2.1074   0.5605   2.2176   0.6393   1.7416   1.1649  290.215   42.848  250.179   80.080 40.03612 90.82285 
1 1 1   22   19   31 o  146.204   40.249   0.5805   0.3121   0.5805   0.3121   0.0000   0.0000  146.204   40.249  ?   ?       ?      ? 
1 1 1   22   19   33 o  365.603   43.104   3.4345   0.6091   3.2834   0.6699   4.1555   1.4634  353.379   36.871  377.828   77.925 -24.44901 86.20805 
1 1 1   22   19   35 o  287.024   43.085   2.2169   0.5192   2.1567   0.5814   2.4541   1.1538  285.550   39.601  288.497   76.532 -2.947449 86.17057 
1 1 1   22   19   37 o  607.575   42.119   9.7988   1.1690   9.3606   1.3596   11.041   2.2892  591.472   44.711  623.679   71.393 -32.20691 84.23753 
1 1 1   22   19   39 o  183.498   40.125   1.0333   0.4340   1.2876   0.4845   0.0000   0.9765  215.108   45.240  151.887   66.284 63.22083 80.25096 
1 1 1   22   19   41 o  248.788   42.356   2.2693   0.5287   2.6804   0.5830   0.3661   1.2546  317.517   35.716  180.059   76.814 137.4585 84.71170 
1 1 1   22   19   43 o  169.025   45.937   0.8092   0.4096   0.8092   0.4096   0.0000   0.0000  169.025   45.937  ?   ?       ?      ? 
1 1 1   22   19   45 o  209.454   45.028   0.8527   0.3879   0.6471   0.4144   2.3063   1.1019  151.959   47.661  266.949   76.410 -114.9899 90.05590 
1 1 1   22   19   47 o  193.208   45.035   0.9890   0.4651   0.7945   0.5367   1.5760   0.9324  165.633   54.460  220.783   71.740 -55.15067 90.06960 
1 1 1   22   20    0 o  934.696   76.150   23.148   3.6035   0.0000   0.0000   23.148   3.6035  934.696   76.150  934.696   76.150 -0.000000 0.000000 
1 1 1   22   20    2 o  1597.38   52.191   66.981   4.2853   66.328   5.9871   67.666   6.1363  1589.66   73.256  1605.11   74.359 -15.44824 104.3822 
1 1 1   22   20    4 f  444.020   50.099   5.3369   1.0171   5.4747   1.2251   5.0314   1.8242  459.002   51.916  429.038   85.700 29.96429 100.1982 
1 1 1   22   20    6 o  182.761   43.301   0.7425   0.4160   0.6700   0.4707   1.0012   0.8891  161.528   50.818  203.995   70.124 -42.46718 86.60172 
1 1 1   22   20    8 o  867.608   48.757   21.544   1.7962   23.290   2.0829   16.479   3.5476  947.973   42.736  787.243   87.651 160.7305 97.51480 
1 1 1   22   20   10 o  152.990   40.017   0.4451   0.2461   0.4505   0.2539   0.3612   1.0019  130.172   36.476  175.807   71.239 -45.63556 80.03409 
1 1 1   22   20   12 o  584.579   40.987   8.5653   0.9200   8.3829   1.0041   9.5189   2.2961  569.300   34.307  599.857   74.450 -30.55701 81.97464 
1 1 1   22   20   14 o  1488.33   42.898   56.873   2.7949   55.737   3.1899   60.628   5.7990  1464.94   42.353  1511.72   74.613 -46.77539 85.79517 
1 1 1   22   20   16 o  645.161   43.331   10.772   1.2200   10.611   1.3924   11.304   2.5317  638.848   42.392  651.474   75.586 -12.62567 86.66237 
1 1 1   22   20   18 o  815.108   41.405   16.556   1.4988   15.696   1.7105   19.399   3.1105  776.420   42.851  853.797   70.861 -77.37732 82.81040 
1 1 1   22   20   20 o  365.863   50.574   4.2352   0.7825   4.7897   0.9021   2.5494   1.5729  428.838   40.914  302.889   92.505 125.9496 101.1487 
1 1 1   22   20   22 o  992.959   39.038   24.673   1.5274   23.947   1.6763   28.228   3.7073  960.266   33.955  1025.65   70.306 -65.38483 78.07565 
1 1 1   22   20   24 o  608.668   36.892   8.5139   0.9082   7.8206   0.9945   11.998   2.2294  548.145   35.289  669.190   64.799 -121.0446 73.78448 
1 1 1   22   20   26 o  180.786   41.305   0.8109   0.3431   0.8231   0.3680   0.7295   0.9496  173.821   41.709  187.752   71.307 -13.93047 82.60948 
1 1 1   22   20   28 o  678.926   42.484   12.128   1.4829   12.128   1.4829   0.0000   0.0000  678.926   42.484  ?   ?       ?      ? 
1 1 1   22   20   30 o  1010.62   42.268   26.948   2.1962   26.948   2.1962   0.0000   0.0000  1010.62   42.268  ?   ?       ?      ? 
1 1 1   22   20   32 o  335.114   47.693   3.3060   0.6066   3.3885   0.6651   2.8984   1.4784  359.237   36.014  310.992   88.327 48.24500 95.38668 
1 1 1   22   20   34 o  122.511   36.261   0.1089   0.2669   0.0731   0.2854   0.3595   0.7549   91.242   37.617  153.781   62.002 -62.53954 72.52111 
1 1 1   22   20   36 o  315.246   43.836   2.7262   0.5515   2.6832   0.6117   2.9126   1.2747  318.663   37.337  311.829   79.324 6.833466 87.67161 
1 1 1   22   20   38 o  307.599   46.560   2.9820   0.5862   3.1653   0.6528   2.2190   1.3321  345.676   36.732  269.523   85.569 76.15289 93.11989 
1 1 1   22   20   40 o  278.484   46.573   2.7881   0.6758   3.4105   0.7723   0.7541   1.3961  356.096   42.184  200.872   83.045 155.2247 93.14510 
1 1 1   22   20   42 o  321.987   37.791   2.7799   0.6256   2.7799   0.6256   0.0000   0.0000  321.987   37.791  ?   ?       ?      ? 
1 1 1   22   20   44 o  219.042   41.595   1.5739   0.4456   1.7365   0.4890   0.7781   1.0818  253.706   37.491  184.378   74.263 69.32825 83.19016 
1 1 1   22   20   46 o  213.558   46.618   1.1915   0.4848   0.9756   0.5462   1.9934   1.0527  181.510   54.305  245.606   75.788 -64.09608 93.23582 
1 1 1   22   21    1 o  808.886   53.285   17.259   2.2035   15.028   3.0846   19.583   3.1487  754.322   79.539  863.450   70.929 -109.1279 106.5708 
1 1 1   22   21    3 o  295.262   49.659   2.5972   0.7443   3.1447   0.8970   1.3870   1.3336  347.834   50.161  242.691   85.720 105.1430 99.31825 
1 1 1   22   21    5 o  611.957   45.648   9.7312   1.3108   9.6179   1.5592   10.004   2.4208  608.234   49.860  615.680   76.479 -7.445984 91.29605 
1 1 1   22   21    7 o  480.696   45.101   5.9080   0.9913   5.7381   1.1548   6.3840   1.9330  469.893   47.800  491.498   76.495 -21.60464 90.20178 
1 1 1   22   21    9 o  464.638   54.293   5.6831   1.2600   5.0417   1.6471   6.5883   1.9566  430.370   77.279  498.906   76.280 -68.53668 108.5852 
1 1 1   22   21   11 o  426.717   41.291   4.0622   0.7978   3.3925   0.9054   6.3873   1.6870  360.930   48.791  492.505   66.626 -131.5751 82.58112 
1 1 1   22   21   13 o  385.316   47.944   3.9035   0.7891   3.8250   0.9017   4.1600   1.6302  383.362   45.750  387.269   84.269 -3.906281 95.88729 
1 1 1   22   21   15 o  334.590   36.674   2.2609   0.4927   1.9325   0.5340   4.1399   1.2774  272.900   38.062  396.280   62.700 -123.3803 73.34820 
1 1 1   22   21   17 o  230.586   42.288   1.4836   0.4190   1.5494   0.4563   1.1296   1.0582  244.353   36.320  216.819   76.380 27.53362 84.57569 
1 1 1   22   21   19 o  1059.62   41.677   28.770   1.9547   27.933   2.2385   31.457   4.0109  1035.14   42.061  1084.09   71.963 -48.94922 83.35369 
1 1 1   22   21   21 o  232.068   44.921   1.1949   0.3932   1.1068   0.4176   1.8840   1.1681  202.372   41.527  261.764   79.668 -59.39162 89.84160 
1 1 1   22   21   23 o  193.391   42.062   0.9782   0.3627   1.0100   0.3881   0.7594   1.0195  193.152   40.377  193.630   73.801 -0.4786987 84.12439 
1 1 1   22   21   25 o  527.049   39.418   6.8574   0.8216   6.5709   0.9005   8.2795   2.0064  502.108   34.884  551.991   70.699 -49.88318 78.83662 
1 1 1   22   21   27 o  445.122   64.145   5.3644   1.4680   5.3644   1.4680   0.0000   0.0000  445.122   64.145  ?   ?       ?      ? 
1 1 1   22   21   29 o  401.446   47.174   4.2818   0.8051   4.1110   0.9172   4.8547   1.6802  394.043   45.276  408.849   82.773 -14.80585 94.34704 
1 1 1   22   21   31 o  457.799   47.619   6.2195   0.8054   6.4470   0.8945   5.2456   1.8506  495.835   35.091  419.762   88.538 76.07285 95.23861 
1 1 1   22   21   33 f  560.029   36.849   7.5812   0.8842   6.9412   0.9881   10.151   1.9803  513.211   37.450  606.846   63.472 -93.63464 73.69706 
1 1 1   22   21   35 o  357.504   42.301   3.2713   0.6135   3.0712   0.6831   4.1056   1.3948  340.587   39.009  374.420   75.072 -33.83380 84.60207 
1 1 1   22   21   37 o  335.876   50.825   3.8900   0.8069   4.6677   0.9509   1.8901   1.5248  417.172   44.336  254.579   91.471 162.5925 101.6499 
1 1 1   22   21   39 o  417.496   40.569   4.0186   0.7725   2.7332   0.8980   7.6790   1.5154  308.909   58.689  526.083   56.027 -217.1738 81.13793 
1 1 1   22   21   41 o  194.385   54.516   1.0890   0.5669   1.0890   0.5669   0.0000   0.0000  194.385   54.516  ?   ?       ?      ? 
1 1 1   22   21   43 o  191.394   44.644   0.9376   0.3925   0.8981   0.4210   1.2000   1.0860  177.412   45.828  205.375   76.630 -27.96330 89.28783 
1 1 1   22   21   45 o  247.161   45.890   1.9370   0.5062   1.9993   0.5529   1.6136   1.2595  270.458   39.761  223.863   82.720 46.59518 91.78020 
1 1 1   22   22    0 o  508.290   90.187   7.3427   2.1355   7.3427   2.1355   0.0000   0.0000  508.290   90.187  508.290   90.187 0.000000 0.000000 
1 1 1   22   22    2 o  1016.25   53.436   27.252   2.7896   25.755   3.8796   28.855   4.0141  987.067   76.448  1045.44   74.682 -58.37177 106.8727 
1 1 1   22   22    4 o  164.115   45.714   0.3494   0.5821   0.0000   0.8148   0.7135   0.8318  144.981   61.879  183.250   67.305 -38.26860 91.42732 
1 1 1   22   22    6 f  431.720   59.625   5.2136   1.2808   6.7512   1.7767   3.5500   1.8480  506.431   68.236  357.008   97.797 149.4233 119.2490 
1 1 1   22   22    8 o  1053.81   54.536   30.181   2.8727   36.278   3.9469   23.313   4.1891  1174.42   65.368  933.201   87.313 241.2210 109.0712 
1 1 1   22   22   10 o  779.026   38.350   15.733   1.5360   15.733   1.5360   0.0000   0.0000  779.026   38.350  ?   ?       ?      ? 
1 1 1   22   22   12 o  396.080   53.984   5.0762   0.7380   5.4138   0.7987   3.1062   1.9294  457.283   33.973  334.877  102.485 122.4059 107.9690 
1 1 1   22   22   14 o  786.280   41.875   15.926   1.2563   15.759   1.3729   16.785   3.1147  779.896   34.240  792.664   76.430 -12.76868 83.74910 
1 1 1   22   22   16 o  809.138   46.976   18.378   1.6076   19.280   1.8443   15.527   3.2800  860.553   41.685  757.722   84.198 102.8314 93.95135 
1 1 1   22   22   18 o  294.217   46.413   2.3195   0.5068   2.3172   0.5456   2.3336   1.3674  298.711   35.530  289.723   85.757 8.988007 92.82597 
1 1 1   22   22   20 o  661.358   37.059   9.9004   0.9841   9.0504   1.0744   14.330   2.4526  590.013   35.418  732.703   65.107 -142.6891 74.11726 
1 1 1   22   22   22 o  740.408   44.965   15.612   1.2317   16.099   1.3528   13.253   2.9783  786.913   33.439  693.903   83.483 93.00995 89.93043 
1 1 1   22   22   24 o  727.389   38.082   12.745   1.1154   12.014   1.2251   16.285   2.6964  678.862   35.101  775.915   67.594 -97.05249 76.16428 
1 1 1   22   22   26 f  623.648   61.623   10.488   1.9758   10.488   1.9758   0.0000   0.0000  623.648   61.623  ?   ?       ?      ? 
1 1 1   22   22   28 o  510.462   43.756   7.3208   0.8615   7.4710   0.9536   6.6537   2.0093  534.449   34.703  486.475   80.337 47.97433 87.51199 
1 1 1   22   22   30 o  277.051   45.653   2.4222   0.5236   2.5966   0.5734   1.5480   1.2836  314.641   35.448  239.460   84.144 75.18053 91.30647 
1 1 1   22   22   32 o  229.096   43.428   1.2117   0.3947   1.0965   0.4247   1.9428   1.0696  199.764   42.652  258.428   75.661 -58.66400 86.85512 
1 1 1   22   22   34 o  438.297   37.840   4.2329   0.6737   3.7040   0.7348   7.0222   1.6873  374.331   38.180  502.262   65.342 -127.9311 75.67900 
1 1 1   22   22   36 o  124.347   34.403   0.2503   0.2452   0.2258   0.2662   0.3874   0.6302  102.952   38.031  145.742   57.341 -42.78970 68.80634 
1 1 1   22   22   38 o  390.448   51.436   5.6057   0.7694   6.3415   0.8628   2.7470   1.7005  489.636   34.272  291.260   96.996 198.3754 102.8730 
1 1 1   22   22   40 o  362.241   47.982   3.5938   0.8936   3.5938   0.8936   0.0000   0.0000  362.241   47.982  ?   ?       ?      ? 
1 1 1   22   22   42 o  452.957   47.886   6.3004   0.8216   6.4553   0.9190   5.6835   1.8338  490.505   36.443  415.409   88.568 75.09622 95.77242 
1 1 1   22   22   44 o  267.139   41.311   2.7949   0.5792   3.5156   0.6611   0.4147   1.2014  361.084   35.609  173.194   74.555 187.8904 82.62233 
1 1 1   22   22   46 o  119.607   36.858   0.1318   0.3164   0.1524   0.3402   0.0000   0.8607  101.983   41.446  137.231   60.960 -35.24745 73.71504 
1 1 1   22   23    1 o  211.534   52.000   1.0731   0.6923   1.0580   0.9692   1.0889   0.9892  210.219   73.158  212.848   73.918 -2.629013 103.9994 
1 1 1   22   23    3 o  1463.79   45.473   55.400   3.1922   53.827   3.8489   58.865   5.7136  1436.54   52.113  1491.04   74.534 -54.49365 90.94545 
1 1 1   22   23    5 o  1087.34   52.708   31.287   2.9434   30.397   4.0513   32.281   4.2838  1071.43   73.546  1103.25   75.523 -31.82214 105.4167 
1 1 1   22   23    7 o  184.493   39.439   0.5717   0.2773   0.4677   0.2925   1.4974   0.8725  133.438   39.700  235.548   68.158 -102.1094 78.87742 
1 1 1   22   23    9 o  1214.80   43.640   36.606   2.5222   33.341   2.9855   44.749   4.7140  1129.79   51.399  1299.81   70.541 -170.0243 87.28020 
1 1 1   22   23   11 o  1264.26   42.146   40.615   2.1520   39.762   2.3830   44.390   5.0105  1238.08   37.437  1290.44   75.522 -52.36243 84.29162 
1 1 1   22   23   13 o  752.095   42.454   13.976   1.4253   13.104   1.6275   16.843   2.9524  709.063   44.645  795.127   72.223 -86.06335 84.90778 
1 1 1   22   23   15 f  749.844   45.319   15.112   1.4601   15.298   1.6676   14.502   3.0222  766.243   42.331  733.446   80.146 32.79749 90.63833 
1 1 1   22   23   17 o  605.711   45.013   9.8198   1.1714   9.8830   1.3360   9.6097   2.4361  615.495   42.221  595.927   79.511 19.56824 90.02576 
1 1 1   22   23   19 o  204.822   47.109   0.9542   0.4172   0.9210   0.4439   1.2056   1.2214  183.945   46.821  225.699   81.761 -41.75435 94.21822 
1 1 1   22   23   21 o  603.560   41.071   9.2330   0.9607   9.0010   1.0510   10.412   2.3686  588.089   34.760  619.030   74.425 -30.94061 82.14202 
1 1 1   22   23   23 o  423.358   43.091   4.3779   0.7909   4.0431   0.8892   5.6454   1.7302  392.219   44.097  454.497   74.046 -62.27780 86.18229 
1 1 1   22   23   25 o  128.513   37.989   0.4393   0.2685   0.4393   0.2685   0.0000   0.0000  128.513   37.989  ?   ?       ?      ? 
1 1 1   22   23   27 o  470.301   42.185   5.5692   0.8878   5.1760   1.0145   6.8547   1.8344  442.391   44.604  498.212   71.616 -55.82117 84.37042 
1 1 1   22   23   29 o  478.167   53.305   7.1325   1.0224   7.7459   1.1788   5.2703   2.0539  541.169   42.366  415.164   97.831 126.0053 106.6102 
1 1 1   22   23   31 o  172.143   41.682   0.6946   0.3537   0.6755   0.3838   0.8021   0.9110  157.303   45.115  186.982   70.102 -29.67883 83.36473 
1 1 1   22   23   33 o  708.417   40.258   13.224   1.1527   12.928   1.2789   14.506   2.6607  700.716   35.501  716.118   72.268 -15.40271 80.51662 
1 1 1   22   23   35 o  448.348   55.138   7.4201   0.8961   8.3701   1.0025   3.6428   1.9990  563.473   34.604  333.223  104.707 230.2498 110.2766 
1 1 1   22   23   37 o  258.109   44.997   2.2376   0.6188   2.7533   0.7215   0.8039   1.2030  319.917   43.866  196.302   78.579 123.6157 89.99439 
1 1 1   22   23   39 o  348.472   69.524   3.6228   1.2019   3.6228   1.2019   0.0000   0.0000  348.472   69.524  ?   ?       ?      ? 
1 1 1   22   23   41 o  160.574   36.661   0.7750   0.3295   0.9095   0.3569   0.0000   0.8569  180.430   39.566  140.718   61.732 39.71211 73.32297 
1 1 1   22   23   43 o  129.274   34.159   0.4063   0.2630   0.4724   0.2835   0.0000   0.7031  130.725   39.131  127.823   56.001 2.902069 68.31792 
1 1 1   22   23   45 o  242.879   45.673   1.9895   0.5811   2.2219   0.6708   1.2902   1.1634  280.914   46.446  204.845   78.656 76.06879 91.34528 
1 1 1   22   24    0 o  892.233   56.910   20.903   2.5862   0.0000   0.0000   20.903   2.5862  892.233   56.910  892.233   56.910 0.000000 0.000000 
1 1 1   22   24    2 o  892.824   44.804   20.734   2.0566   20.734   2.0566   0.0000   0.0000  892.824   44.804  ?   ?       ?      ? 
1 1 1   22   24    4 o  653.515   37.861   11.073   1.2721   11.073   1.2721   0.0000   0.0000  653.515   37.861  ?   ?       ?      ? 
1 1 1   22   24    6 o  606.290   37.292   9.5306   1.1624   9.5306   1.1624   0.0000   0.0000  606.290   37.292  ?   ?       ?      ? 
1 1 1   22   24    8 o  618.113   42.172   8.7332   1.2265   7.0109   1.4254   13.645   2.4071  517.457   53.580  718.769   65.139 -201.3127 84.34354 
1 1 1   22   24   10 o  440.834   40.233   4.2058   0.7457   3.6476   0.8213   6.8257   1.7793  374.370   42.672  507.299   68.220 -132.9292 80.46617 
1 1 1   22   24   12 o  1024.55   44.118   26.856   2.0107   25.995   2.3069   29.580   4.1021  998.268   44.948  1050.84   75.928 -52.56927 88.23515 
1 1 1   22   24   14 o  1203.69   52.113   39.305   3.1448   41.305   4.0930   36.421   4.9136  1247.73   63.804  1159.66   82.414 88.07385 104.2259 
1 1 1   22   24   16 o  379.429   55.270   3.9945   1.0214   3.9116   1.3063   4.1248   1.6384  376.869   69.997  381.989   85.554 -5.119843 110.5399 
1 1 1   22   24   18 o  415.056   51.724   5.0745   0.8570   5.3373   0.9691   4.1310   1.8363  451.957   41.705  378.156   94.669 73.80145 103.4476 
1 1 1   22   24   20 o  918.847   43.181   21.756   1.7257   21.076   1.9606   24.092   3.6355  897.028   42.513  940.666   75.173 -43.63824 86.36191 
1 1 1   22   24   22 o  363.999   54.061   3.8215   0.9461   4.0851   1.1654   3.3119   1.6202  391.057   57.965  336.940   91.270 54.11771 108.1211 
1 1 1   22   24   24 o  1209.11   41.689   38.431   2.5916   38.431   2.5916   0.0000   0.0000  1209.11   41.689  ?   ?       ?      ? 
1 1 1   22   24   26 o  362.891   55.604   3.9514   1.0065   4.6219   1.2893   2.9056   1.6103  413.120   60.704  312.662   93.178 100.4577 111.2072 
1 1 1   22   24   28 o  140.136   38.813   0.3831   0.3350   0.4488   0.3626   0.0000   0.8753  133.542   44.792  146.729   63.399 -13.18678 77.62585 
1 1 1   22   24   30 o  516.835   48.911   7.6750   1.0440   7.8438   1.1970   7.1387   2.1341  543.697   42.823  489.974   87.950 53.72311 97.82130 
1 1 1   22   24   32 o  315.419   47.798   2.9674   0.6849   3.1407   0.8005   2.4935   1.3235  342.857   45.410  287.980   84.121 54.87711 95.59529 
1 1 1   22   24   34 o  545.266   43.546   7.8014   1.0494   7.3814   1.1974   9.1923   2.1789  525.082   44.356  565.450   74.951 -40.36780 87.09254 
1 1 1   22   24   36 o  527.520   54.802   7.9161   1.3705   4.9581   1.7838   12.177   2.1409  397.414   89.462  657.627   63.322 -260.2133 109.6046 
1 1 1   22   24   38 o  279.281   70.520   2.3545   1.0128   2.3545   1.0128   0.0000   0.0000  279.281   70.520  ?   ?       ?      ? 
1 1 1   22   24   40 o  286.794   53.077   2.6561   0.7976   2.9968   1.0176   2.1135   1.2843  317.217   64.591  256.370   84.243 60.84744 106.1548 
1 1 1   22   24   42 o  323.569   50.547   3.9322   0.8019   4.7012   0.9308   1.7170   1.5798  413.492   43.784  233.646   91.120 179.8456 101.0931 
1 1 1   22   24   44 o  171.037   39.591   0.9216   0.4116   1.1226   0.4542   0.0000   0.9726  196.890   45.746  145.185   64.630 51.70494 79.18150 
1 1 1   22   25    1 o  694.705   39.884   12.659   1.4245   12.552   2.0111   12.767   2.0179  691.727   56.551  697.682   56.258 -5.954468 79.76781 
1 1 1   22   25    3 o  631.218   39.810   10.460   1.2910   10.695   1.8052   10.213   1.8470  638.797   54.965  623.639   57.605 15.15820 79.62096 
1 1 1   22   25    5 o  659.646   45.096   11.390   1.3093   11.298   1.5030   11.679   2.6667  658.660   44.384  660.632   78.515 -1.972229 90.19138 
1 1 1   22   25    7 o  951.469   32.258   23.604   1.5775   22.791   2.2191   24.435   2.2429  934.735   46.176  968.203   45.058 -33.46765 64.51698 
1 1 1   22   25    9 o  271.694   41.670   1.9214   0.5821   1.9214   0.5821   0.0000   0.0000  271.694   41.670  ?   ?       ?      ? 
1 1 1   22   25   11 o  312.120   41.802   2.5379   0.6708   2.5379   0.6708   0.0000   0.0000  312.120   41.802  ?   ?       ?      ? 
1 1 1   22   25   13 o  1124.07   45.290   33.175   2.2426   32.796   2.5741   34.368   4.5684  1120.34   44.689  1127.79   78.789 -7.447510 90.58089 
1 1 1   22   25   15 o  533.361   41.577   6.1884   0.9961   4.9656   1.1238   10.673   2.1521  434.630   50.291  632.093   66.223 -197.4627 83.15484 
1 1 1   22   25   17 o  374.265   47.070   3.6025   0.7519   3.4142   0.8539   4.2521   1.5862  360.732   46.040  387.797   82.113 -27.06522 94.13950 
1 1 1   22   25   19 o  425.836   56.006   5.3040   1.1218   5.8796   1.3980   4.2631   1.8800  469.878   57.869  381.795   95.905 88.08319 112.0115 
1 1 1   22   25   21 o  244.716   67.775   1.6746   0.8819   1.6746   0.8819   0.0000   0.0000  244.716   67.775  ?   ?       ?      ? 
1 1 1   22   25   23 o  174.304   40.079   0.8283   0.3517   0.8283   0.3517   0.0000   0.0000  174.304   40.079  ?   ?       ?      ? 
1 1 1   22   25   25 o  383.008   42.678   3.3358   0.6065   3.0346   0.6542   5.1784   1.6181  340.122   37.413  425.894   76.720 -85.77185 85.35630 
1 1 1   22   25   27 o  587.633   56.577   11.629   1.0959   12.553   1.2072   7.3002   2.6126  692.417   33.912  482.848  107.953 209.5688 113.1544 
1 1 1   22   25   29 o  485.812   49.054   6.7098   0.9881   6.7813   1.1310   6.4792   2.0306  505.277   43.539  466.346   87.917 38.93094 98.10748 
1 1 1   22   25   31 o  461.315   45.567   5.8647   0.7910   5.8161   0.8723   6.0890   1.8760  469.872   36.111  452.758   83.674 17.11441 91.13322 
1 1 1   22   25   33 o  603.260   51.635   11.553   1.1010   12.242   1.2232   8.6134   2.5270  681.455   34.914  525.065   97.188 156.3898 103.2691 
1 1 1   22   25   35 o  305.505   40.836   2.2019   0.5132   1.9201   0.5675   3.4662   1.2022  268.016   41.186  342.995   70.527 -74.97897 81.67281 
1 1 1   22   25   37 o  372.021   70.317   4.1128   1.2956   4.1128   1.2956   0.0000   0.0000  372.021   70.317  ?   ?       ?      ? 
1 1 1   22   25   39 o  265.436   46.852   2.3588   0.6220   2.6814   0.7120   1.3199   1.2777  313.722   44.146  217.150   82.653 96.57205 93.70372 
1 1 1   22   25   41 o  289.661   43.629   2.1715   0.5073   1.9869   0.5570   3.0704   1.2291  270.422   40.063  308.900   77.518 -38.47748 87.25885 
1 1 1   22   25   43 o  156.094   37.890   0.6739   0.3192   0.7177   0.3485   0.4454   0.7961  158.508   42.066  153.679   63.032 4.828354 75.78006 
1 1 1   22   26    0 o  578.534   51.946   9.2207   1.3848   9.3727   1.7205   8.9410   2.3335  592.263   57.764  564.804   86.354 -0.000000 0.000000 
1 1 1   22   26    2 f  635.001   32.190   10.515   1.0508   10.326   1.4768   10.710   1.4956  629.172   45.654  640.830   45.393 -11.65747 64.38055 
1 1 1   22   26    4 o  829.187   32.232   17.941   1.3642   15.231   1.8942   20.861   1.9664  763.374   48.264  895.001   42.734 -131.6271 64.46438 
1 1 1   22   26    6 o  692.889   38.283   13.066   1.3022   10.733   2.0598   14.619   1.6807  636.913   62.903  748.865   43.653 -111.9515 76.56581 
1 1 1   22   26    8 o  706.708   33.908   13.172   1.2214   11.593   1.7650   14.623   1.6919  664.748   51.643  748.668   43.955 -83.91962 67.81615 
1 1 1   22   26   10 o  524.073   39.707   7.5073   1.0271   8.6779   1.3545   5.9232   1.5756  576.142   45.727  472.005   64.927 104.1376 79.41327 
1 1 1   22   26   12 o  293.239   37.618   2.2553   0.5229   2.1603   0.6365   2.4523   0.9167  287.597   43.050  298.880   61.703 -11.28333 75.23672 
1 1 1   22   26   14 o  735.113   36.028   13.696   1.3289   11.931   1.6711   16.732   2.1916  674.007   48.225  796.219   53.538 -122.2114 72.05554 
1 1 1   22   26   16 o  406.872   48.033   4.1399   0.8302   3.8242   0.9378   5.2836   1.7850  381.319   47.835  432.426   83.309 -51.10733 96.06555 
1 1 1   22   26   18 o  197.204   72.834   0.8768   0.9762   0.0000   0.0000   0.8768   0.9762  ?   ?   197.204   72.834      ?      ? 
1 1 1   22   26   20 o  965.927   42.671   24.515   2.1191   24.515   2.1191   0.0000   0.0000  965.927   42.671  ?   ?       ?      ? 
1 1 1   22   26   22 o  376.757   50.393   3.9624   0.7734   3.9657   0.8683   3.9496   1.7013  387.882   43.543  365.633   90.895 22.24866 100.7869 
1 1 1   22   26   24 o  218.028   48.402   0.8969   0.4857   0.6430   0.5305   2.2120   1.2073  159.566   54.175  276.491   80.225 -116.9246 96.80425 
1 1 1   22   26   26 o  638.929   48.185   11.556   1.3056   11.814   1.4919   10.714   2.6980  667.778   43.454  610.081   86.017 57.69763 96.36938 
1 1 1   22   26   28 o  348.274   49.014   3.3698   0.7133   3.3202   0.8037   3.5541   1.5481  353.357   44.242  343.191   87.477 10.16534 98.02825 
1 1 1   22   26   30 o  446.531   41.458   4.7137   0.7114   4.3707   0.7702   6.7064   1.8563  407.138   36.795  485.924   74.305 -78.78522 82.91592 
1 1 1   22   26   32 o  227.415   46.205   1.2582   0.4213   1.1818   0.4499   1.8019   1.2000  206.756   43.694  248.073   81.426 -41.31726 92.40923 
1 1 1   22   26   34 o  507.475   49.129   7.5430   0.9029   7.6276   0.9933   7.1408   2.1661  536.684   35.998  478.267   91.426 58.41733 98.25741 
1 1 1   22   26   36 o  410.862   66.442   4.8460   1.4035   4.8460   1.4035   0.0000   0.0000  410.862   66.442  ?   ?       ?      ? 
1 1 1   22   26   38 o  343.492   50.375   3.2846   0.7279   3.0833   0.8161   4.0673   1.6093  335.154   47.362  351.830   88.924 -16.67575 100.7500 
1 1 1   22   26   40 o  216.381   42.285   1.3624   0.4186   1.3608   0.4646   1.3695   0.9649  220.075   42.602  212.688   73.055 7.386276 84.56934 
1 1 1   22   26   42 o  236.021   44.443   1.7791   0.4801   1.8600   0.5250   1.3655   1.1866  261.015   39.124  211.027   79.813 49.98773 88.88667 
1 1 1   22   27    1 o  305.301   34.529   2.4738   0.5276   2.1819   0.7358   2.7828   0.7570  284.128   52.299  326.473   45.098 -42.34497 69.05828 
1 1 1   22   27    3 o  349.233   48.823   3.3230   0.7381   3.3359   0.8460   3.2818   1.5103  357.294   46.056  341.172   86.102 16.12140 97.64579 
1 1 1   22   27    5 f  325.078   33.284   2.7732   0.5542   3.0060   0.7776   2.5327   0.7901  339.283   44.580  310.873   49.436 28.41025 66.56828 
1 1 1   22   27    7 o  429.868   31.045   4.8320   0.6792   4.8716   0.9016   4.7800   1.0329  432.402   40.558  427.335   47.013 5.066193 62.08997 
1 1 1   22   27    9 o  723.053   34.293   13.692   1.2723   14.028   1.8681   13.401   1.7375  730.958   49.709  715.148   47.255 15.81067 68.58639 
1 1 1   22   27   11 o  516.388   36.044   7.1596   0.9349   5.6408   1.3562   8.5348   1.2904  461.592   57.147  571.183   43.943 -109.5917 72.08884 
1 1 1   22   27   13 o  217.027   45.042   1.2897   0.5363   1.1641   0.8011   1.3917   0.7219  209.217   66.350  224.837   60.932 -15.62009 90.08369 
1 1 1   22   27   15 o  1079.22   42.615   31.144   2.3591   29.850   3.4028   32.342   3.2736  1055.98   62.677  1102.47   57.755 -46.49622 85.22955 
1 1 1   22   27   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   27   19 o  772.343   43.439   15.695   1.7249   15.695   1.7249   0.0000   0.0000  772.343   43.439  ?   ?       ?      ? 
1 1 1   22   27   21 o  258.753   45.822   2.2196   0.6360   2.7549   0.7261   0.4544   1.3185  323.175   43.701  194.331   80.553 128.8437 91.64315 
1 1 1   22   27   23 o  293.587   43.493   1.9021   0.5514   1.4565   0.6185   3.6279   1.2172  228.847   53.522  358.327   68.571 -129.4808 86.98635 
1 1 1   22   27   25 o  223.746   49.296   1.1954   0.5244   1.0471   0.5825   1.8293   1.2044  194.328   55.528  253.163   81.468 -58.83545 98.59195 
1 1 1   22   27   27 o  333.308   44.347   2.2368   0.6310   1.6110   0.6970   5.0800   1.4858  238.993   57.441  427.622   67.581 -188.6295 88.69407 
1 1 1   22   27   29 o  299.306   50.612   2.4564   0.6590   2.3812   0.7367   2.7576   1.4746  297.866   48.106  300.747   89.062 -2.881165 101.2234 
1 1 1   22   27   31 o  440.620   40.717   4.6712   0.7089   4.3284   0.7732   6.4791   1.7756  404.565   37.174  476.675   72.454 -72.11005 81.43396 
1 1 1   22   27   33 f  491.631   44.272   6.3403   0.8277   6.1295   0.9019   7.4653   2.0837  480.944   36.475  502.318   80.683 -21.37411 88.54481 
1 1 1   22   27   35 o  351.265   44.578   3.3372   0.8050   3.3372   0.8050   0.0000   0.0000  351.265   44.578  ?   ?       ?      ? 
1 1 1   22   27   37 o  322.371   49.623   3.0080   0.6035   2.9638   0.6540   3.2614   1.5657  332.352   38.276  312.389   91.568 19.96274 99.24568 
1 1 1   22   27   39 o  215.493   44.371   1.1530   0.4207   1.0074   0.4611   1.8753   1.0270  187.301   47.744  243.685   74.804 -56.38408 88.74210 
1 1 1   22   27   41 o  164.465   39.216   0.4704   0.3108   0.2982   0.3378   1.4210   0.7936  114.727   42.750  214.203   65.758 -99.47632 78.43287 
1 1 1   22   28    0 o  136.908   53.986   0.5886   0.4441   0.5476   0.4831   0.8116   1.1272  119.702   61.550  154.113   88.712 -0.000000 0.000000 
1 1 1   22   28    2 o  697.758   43.641   12.337   1.3776   11.728   1.5887   14.184   2.7653  669.420   46.162  726.096   74.077 -56.67603 87.28256 
1 1 1   22   28    4 o  859.786   32.123   19.319   1.4187   18.222   1.9725   20.493   2.0420  834.365   45.982  885.206   44.869 -50.84088 64.24621 
1 1 1   22   28    6 o  288.409   32.077   2.1695   0.4715   2.1196   0.6239   2.2360   0.7200  284.860   42.600  291.958   47.969 -7.098206 64.15434 
1 1 1   22   28    8 o  265.776   33.578   1.8887   0.4446   2.2828   0.6406   1.5223   0.6176  295.582   42.151  235.970   52.281 59.61206 67.15661 
1 1 1   22   28   10 o  129.767   31.769   0.4010   0.2604   0.4799   0.3442   0.2952   0.3983  136.587   43.510  122.947   46.303 13.64054 63.53845 
1 1 1   22   28   12 o  326.920   45.546   3.0295   0.7104   2.5492   1.1953   3.2918   0.8834  300.272   77.046  353.569   48.595 -53.29767 91.09141 
1 1 1   22   28   14 o  452.327   48.534   5.7868   1.0558   4.2708   1.5538   7.0871   1.4391  387.873   80.551  516.781   54.164 -128.9087 97.06743 
1 1 1   22   28   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   28   18 o  149.544   38.020   0.4258   0.3795   0.8280   0.6031   0.1620   0.4884  177.703   57.695  121.386   49.530 56.31715 76.03918 
1 1 1   22   28   20 o  687.641   44.345   12.811   1.5647   13.066   2.2933   12.589   2.1403  693.080   64.359  682.203   61.023 10.87695 88.68955 
1 1 1   22   28   22 o  768.900   43.903   15.645   1.7355   15.645   1.7355   0.0000   0.0000  768.900   43.903  ?   ?       ?      ? 
1 1 1   22   28   24 o  625.712   43.816   10.384   1.4095   10.384   1.4095   0.0000   0.0000  625.712   43.816  ?   ?       ?      ? 
1 1 1   22   28   26 o  604.612   55.561   11.269   1.3159   11.964   1.5027   8.9830   2.7255  670.973   43.561  538.250  102.229 132.7238 111.1226 
1 1 1   22   28   28 o  376.706   58.768   4.2300   1.0765   4.1896   1.3518   4.2999   1.7797  380.752   71.685  372.659   93.146 8.092438 117.5366 
1 1 1   22   28   30 o  187.504   46.331   0.9375   0.4974   1.0419   0.5507   0.4755   1.1587  192.561   53.635  182.447   75.561 10.11473 92.66156 
1 1 1   22   28   32 o  184.419   44.146   0.9463   0.4704   1.0724   0.5301   0.4791   1.0204  194.775   51.974  174.064   71.374 20.71027 88.29266 
1 1 1   22   28   34 o  222.812   47.768   1.3970   0.5308   1.3970   0.5308   0.0000   0.0000  222.812   47.768  ?   ?       ?      ? 
1 1 1   22   28   36 o  178.657   46.008   0.7671   0.4613   0.7225   0.5122   0.9587   1.0619  162.266   53.196  195.048   75.082 -32.78194 92.01689 
1 1 1   22   28   38 o  576.182   45.300   9.0852   1.1667   8.4482   1.3375   11.112   2.3861  552.922   47.051  599.442   77.424 -46.52087 90.59963 
1 1 1   22   28   40 o  357.983   50.536   4.0420   0.6811   4.0723   0.7464   3.8914   1.6645  387.515   37.465  328.452   93.872 59.06363 101.0726 
1 1 1   22   28   42 o  173.556   42.528   0.6156   0.3359   0.4924   0.3592   1.4746   0.9484  133.982   44.579  213.131   72.439 -79.14905 85.05682 
1 1 1   22   29    1 o  357.517   49.580   3.3356   0.7526   3.2036   0.8507   3.8111   1.6145  349.400   47.354  365.635   87.122 -16.23502 99.16024 
1 1 1   22   29    3 o  222.467   39.651   1.4061   0.4573   1.6642   0.5915   1.0226   0.7210  247.740   48.178  197.195   62.989 50.54402 79.30113 
1 1 1   22   29    5 o  429.048   36.814   4.7995   0.7980   4.5690   1.0266   5.1513   1.2683  417.022   47.883  441.074   55.931 -24.05273 73.62771 
1 1 1   22   29    7 o  122.774   31.101   0.2862   0.2693   0.5534   0.3744   0.0000   0.3875  145.521   45.247  100.028   42.682 45.49314 62.20157 
1 1 1   22   29    9 o  326.524   49.059   3.0477   0.7425   2.6216   1.3788   3.2217   0.8811  303.355   85.001  349.694   49.009 -46.33853 98.11791 
1 1 1   22   29   11 o  968.703   46.016   25.148   2.2536   25.730   3.5351   24.749   2.9250  974.356   70.569  963.050   59.076 11.30524 92.03190 
1 1 1   22   29   13 o  642.392   37.627   10.572   1.2190   8.3464   1.5732   13.915   1.9283  560.208   54.622  724.575   51.763 -164.3666 75.25314 
1 1 1   22   29   15 o  156.346   42.855   0.2753   0.3679   0.1620   0.3974   0.9538   0.9724  112.067   45.056  200.626   72.911 -88.55915 85.70927 
1 1 1   22   29   17 o  519.635   41.002   7.4343   1.0390   6.5977   1.7079   7.9258   1.3090  491.855   67.538  547.415   46.512 -55.56030 82.00452 
1 1 1   22   29   19 o  469.273   39.943   5.7505   0.9347   6.6295   1.5605   5.2586   1.1673  494.562   61.372  443.983   51.139 50.57806 79.88585 
1 1 1   22   29   21 o  304.761   43.964   2.5070   0.6529   3.1664   1.0623   2.1065   0.8278  335.769   63.869  273.754   60.432 62.01489 87.92721 
1 1 1   22   29   23 o  347.922   48.066   3.4935   0.8325   2.5586   1.2073   4.3412   1.1496  295.254   78.265  400.591   55.819 -105.3376 96.13115 
1 1 1   22   29   25 o  428.698   46.607   4.9091   1.0272   4.9091   1.0272   0.0000   0.0000  428.698   46.607  ?   ?       ?      ? 
1 1 1   22   29   27 o  808.239   63.007   18.078   2.6182   18.078   2.6182   0.0000   0.0000  808.239   63.007  ?   ?       ?      ? 
1 1 1   22   29   29 o  209.449   45.619   1.3324   0.5423   1.5827   0.6175   0.4877   1.1343  237.327   52.039  181.571   74.943 55.75615 91.23886 
1 1 1   22   29   31 o  287.268   56.797   2.3068   0.8475   1.7250   1.0421   3.4438   1.4567  241.342   75.560  333.195   84.819 -91.85304 113.5941 
1 1 1   22   29   33 o   98.335   42.292   0.0000   0.3859   0.0000   0.3859   0.0000   0.0000   98.335   42.292  ?   ?       ?      ? 
1 1 1   22   29   35 o  178.030   41.759   0.9383   0.4681   1.2036   0.5302   0.0000   0.9972  204.956   50.615  151.104   66.433 53.85185 83.51794 
1 1 1   22   29   37 o  242.752   43.134   2.1637   0.6078   2.7302   0.6827   0.0000   1.3343  316.669   41.936  168.836   75.389 147.8326 86.26807 
1 1 1   22   29   39 o  186.002   43.662   1.0562   0.4617   1.1829   0.5117   0.5011   1.0712  201.412   49.715  170.591   71.791 30.82111 87.32447 
1 1 1   22   29   41 o  315.304   50.130   3.5620   0.6590   3.7847   0.7262   2.5237   1.5680  371.791   37.992  258.818   92.782 112.9728 100.2591 
1 1 1   22   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   30    2 o   88.585   36.050   0.0807   0.2579   0.0000   0.0000   0.0807   0.2579  ?   ?    88.585   36.050      ?      ? 
1 1 1   22   30    4 o  212.957   59.966   1.2439   0.6845   0.0000   0.0000   1.2439   0.6845  ?   ?   212.957   59.966      ?      ? 
1 1 1   22   30    6 o  698.346   46.907   13.413   1.4671   12.488   2.8278   13.754   1.7161  673.407   81.678  723.285   46.150 -49.87787 93.81391 
1 1 1   22   30    8 o  499.447   36.773   6.5153   0.9345   7.9877   1.4058   5.3496   1.2509  549.954   49.719  448.941   54.194 101.0132 73.54610 
1 1 1   22   30   10 o  536.803   32.452   7.6626   0.8850   8.2452   1.1952   6.9557   1.3167  560.787   41.455  512.819   49.939 47.96808 64.90327 
1 1 1   22   30   12 o  308.012   36.845   2.6365   0.5524   3.1256   0.7464   2.0439   0.8216  344.979   42.083  271.045   60.491 73.93423 73.68930 
1 1 1   22   30   14 o  960.545   43.526   23.014   1.7438   21.761   1.9400   28.283   3.9789  909.964   41.467  1011.13   76.540 -101.1617 87.05118 
1 1 1   22   30   16 o  979.449   42.220   26.510   1.9892   23.883   3.3732   27.911   2.4630  932.330   70.372  1026.57   46.667 -94.23816 84.43980 
1 1 1   22   30   18 o  536.525   34.167   7.6519   0.9416   7.1984   1.3142   8.1301   1.3496  519.883   49.169  553.168   47.454 -33.28467 68.33405 
1 1 1   22   30   20 o  245.582   39.322   1.6920   0.4859   1.4903   0.6945   1.8854   0.6801  230.230   58.544  260.934   52.512 -30.70354 78.64472 
1 1 1   22   30   22 o  733.539   39.490   14.401   1.4457   15.284   2.3708   13.879   1.8240  747.110   61.723  719.967   49.277 27.14252 78.98022 
1 1 1   22   30   24 o  363.760   45.000   3.8149   0.7701   3.3352   1.2908   4.0800   0.9596  337.181   76.248  390.338   47.817 -53.15631 90.00072 
1 1 1   22   30   26 o  166.909   61.075   0.6590   0.6840   0.6590   0.6840   0.0000   0.0000  166.909   61.075  ?   ?       ?      ? 
1 1 1   22   30   28 o  154.695   50.762   0.6322   0.4664   0.6322   0.4664   0.0000   0.0000  154.695   50.762  ?   ?       ?      ? 
1 1 1   22   30   30 o  175.104   65.204   0.7338   0.7855   0.7338   0.7855   0.0000   0.0000  175.104   65.204  ?   ?       ?      ? 
1 1 1   22   30   32 o  387.359   47.316   4.0835   0.9423   4.0835   0.9423   0.0000   0.0000  387.359   47.316  ?   ?       ?      ? 
1 1 1   22   30   34 o  419.349   57.880   7.0673   1.0957   8.5975   1.2684   2.5673   2.1751  562.562   43.854  276.135  107.133 286.4277 115.7609 
1 1 1   22   30   36 o  203.490   47.138   1.0684   0.4733   0.9585   0.5240   1.5553   1.1033  182.143   52.853  224.836   78.067 -42.69327 94.27518 
1 1 1   22   30   38 o  340.526   40.238   2.0459   0.5220   1.4651   0.5575   6.1793   1.4872  224.696   49.584  456.356   63.388 -231.6597 80.47693 
1 1 1   22   30   40 o  194.189   44.487   1.0881   0.4007   1.0945   0.4263   1.0394   1.1733  194.933   43.629  193.445   77.544 1.487991 88.97500 
1 1 1   22   31    1 o  195.317   35.888   1.0467   0.3660   1.2033   0.5160   0.8881   0.5192  209.535   48.806  181.098   52.629 28.43721 71.77627 
1 1 1   22   31    3 o  320.128   48.273   2.4741   0.6853   3.8049   1.4162   2.0672   0.7831  366.476   77.583  273.781   57.464 92.69525 96.54642 
1 1 1   22   31    5 f  556.276   36.537   8.1893   1.0342   8.2719   1.5822   8.1278   1.3665  557.547   55.195  555.005   47.889 2.542297 73.07408 
1 1 1   22   31    7 o  411.453   32.399   4.4150   0.6813   4.0513   0.9055   4.8897   1.0344  392.319   44.893  430.587   46.727 -38.26837 64.79876 
1 1 1   22   31    9 o  540.051   30.000   7.6798   0.8311   7.3342   1.1978   8.0005   1.1540  527.828   44.140  552.273   40.642 -24.44519 60.00087 
1 1 1   22   31   11 o  530.259   33.122   7.5117   0.8913   8.0990   1.2012   6.7924   1.3294  554.971   42.101  505.547   51.146 49.42352 66.24490 
1 1 1   22   31   13 f  290.565   40.338   2.2893   0.5881   3.3772   0.8771   1.4006   0.7927  356.928   47.797  224.201   64.993 132.7279 80.67576 
1 1 1   22   31   15 o  138.101   36.902   0.3916   0.3588   0.0000   0.6668   0.5512   0.4257  129.392   55.620  146.810   48.513 -17.41762 73.80459 
1 1 1   22   31   17 o  395.523   35.975   4.2020   0.7252   3.5838   1.0246   4.8226   1.0265  365.076   54.587  425.970   46.873 -60.89395 71.95031 
1 1 1   22   31   19 o  611.021   34.417   9.9464   1.0649   7.8210   1.4596   12.365   1.5571  539.441   52.627  682.601   44.368 -143.1597 68.83408 
1 1 1   22   31   21 o  555.950   33.721   8.1981   0.9573   6.9735   1.2991   9.6529   1.4159  510.021   49.545  601.878   45.758 -91.85739 67.44289 
1 1 1   22   31   23 o  417.587   33.720   4.6928   0.7193   4.9175   0.9799   4.4302   1.0592  429.615   44.362  405.560   50.797 24.05487 67.44096 
1 1 1   22   31   25 o  610.666   56.144   11.653   1.3366   12.396   1.5266   9.2126   2.7667  681.734   43.555  539.599  103.495 142.1351 112.2870 
1 1 1   22   31   27 f  198.008   54.421   1.1070   0.5711   0.0000   0.0000   1.1070   0.5711  ?   ?   198.008   54.421      ?      ? 
1 1 1   22   31   29 o  496.669   62.492   8.0547   1.4485   9.5054   1.8486   5.7478   2.3312  582.373   61.741  410.965  108.670 171.4080 124.9848 
1 1 1   22   31   31 o  317.318   75.582   3.0725   1.2154   3.0725   1.2154   0.0000   0.0000  317.318   75.582  ?   ?       ?      ? 
1 1 1   22   31   33 o  391.562   47.524   4.2052   0.9567   4.2052   0.9567   0.0000   0.0000  391.562   47.524  ?   ?       ?      ? 
1 1 1   22   31   35 o  296.372   55.040   2.5435   0.8078   2.5435   0.8078   0.0000   0.0000  296.372   55.040  ?   ?       ?      ? 
1 1 1   22   31   37 o  317.710   51.667   2.6452   0.9074   1.0320   1.1093   5.9074   1.5774  195.202   76.291  440.218   69.696 -245.0155 103.3343 
1 1 1   22   31   39 o  423.526   53.717   5.4930   0.9428   5.2376   1.0666   6.4056   2.0161  429.774   48.271  417.277   95.978 12.49695 107.4334 
1 1 1   22   32    0 o  142.943   52.569   0.7539   0.4696   0.8937   0.8658   0.6956   0.5590  152.042   81.216  133.845   66.769 0.000000 0.000000 
1 1 1   22   32    2 o  113.203   29.327   0.2657   0.2268   0.3625   0.3148   0.1612   0.3272  122.176   41.730  104.230   41.218 17.94632 58.65437 
1 1 1   22   32    4 o  360.881   34.283   3.4489   0.6354   3.3620   0.9117   3.5310   0.8861  356.175   49.789  365.587   47.142 -9.412201 68.56641 
1 1 1   22   32    6 o  427.194   33.073   4.9962   0.6986   5.9026   0.9336   3.8424   1.0533  474.770   38.247  379.619   53.967 95.15103 66.14565 
1 1 1   22   32    8 f  262.282   35.198   1.8718   0.4604   1.9800   0.6188   1.7375   0.6892  274.071   43.913  250.494   55.021 23.57674 70.39684 
1 1 1   22   32   10 o  270.709   34.100   1.9897   0.4595   2.3402   0.6496   1.6387   0.6501  298.065   42.391  243.353   53.427 54.71179 68.20094 
1 1 1   22   32   12 o  651.604   32.298   11.179   1.0742   10.740   1.4247   11.757   1.6353  637.768   43.451  665.440   47.798 -27.67181 64.59566 
1 1 1   22   32   14 o  415.568   58.251   5.1377   1.0596   5.3228   1.2288   4.6010   2.0926  445.420   53.659  385.717  103.408 59.70288 116.5013 
1 1 1   22   32   16 o  344.365   35.674   3.1748   0.6311   3.2768   0.8864   3.0701   0.8988  350.299   49.218  338.430   51.654 11.86884 71.34842 
1 1 1   22   32   18 o  155.903   36.819   0.6035   0.3539   0.8292   0.5134   0.3990   0.4886  174.417   52.757  137.389   51.373 37.02823 73.63760 
1 1 1   22   32   20 o  307.430   37.433   2.5955   0.5760   2.8044   0.8041   2.3754   0.8256  323.608   48.332  291.253   57.176 32.35529 74.86686 
1 1 1   22   32   22 o  308.801   39.013   2.6786   0.5938   3.3079   0.8311   2.0222   0.8488  351.780   45.952  265.821   63.058 85.95840 78.02506 
1 1 1   22   32   24 o  207.715   38.079   1.2159   0.4098   1.1991   0.5682   1.2342   0.5915  206.333   53.219  209.097   54.478 -2.763885 76.15849 
1 1 1   22   32   26 o  461.865   42.109   6.0312   0.9538   5.4082   1.5475   6.4129   1.2112  436.556   68.949  487.173   48.359 -50.61734 84.21741 
1 1 1   22   32   28 o  262.384   50.215   2.0375   0.6895   2.1967   1.0473   1.9156   0.9159  270.378   73.439  254.390   68.504 15.98755 100.4295 
1 1 1   22   32   30 o  213.781   53.052   1.2308   0.6960   1.0216   0.8626   1.6210   1.1781  193.995   68.896  233.567   80.692 -39.57217 106.1032 
1 1 1   22   32   32 o  306.586   62.561   3.0479   1.0067   2.9511   1.2360   3.2386   1.7349  306.459   78.193  306.712   97.680 -0.2528381 125.1222 
1 1 1   22   32   34 o  329.944   71.903   3.3677   1.1853   3.3677   1.1853   0.0000   0.0000  329.944   71.903  ?   ?       ?      ? 
1 1 1   22   32   36 o  187.964   64.310   1.0361   0.7476   1.0361   0.7476   0.0000   0.0000  187.964   64.310  ?   ?       ?      ? 
1 1 1   22   32   38 o  205.218   53.075   1.2598   0.5642   1.2598   0.5642   0.0000   0.0000  205.218   53.075  ?   ?       ?      ? 
1 1 1   22   33    1 o  484.100   33.717   6.2437   0.8284   7.4322   1.1797   5.0876   1.1635  531.102   43.205  437.099   51.776 94.00208 67.43490 
1 1 1   22   33    3 o  150.130   39.141   0.3033   0.3370   0.1457   0.3757   0.9514   0.7620  108.369   43.725  191.890   64.931 -83.52169 78.28105 
1 1 1   22   33    5 o  387.014   33.188   4.0486   0.6441   4.4855   0.8554   3.4761   0.9790  413.141   40.270  360.886   52.764 52.25497 66.37568 
1 1 1   22   33    7 o  373.392   33.250   3.7347   0.6284   3.9723   0.8369   3.4275   0.9514  388.314   41.919  358.470   51.625 29.84409 66.50076 
1 1 1   22   33    9 o  239.698   34.899   1.5801   0.4158   1.7589   0.5953   1.4098   0.5811  253.709   47.382  225.688   51.251 28.02107 69.79756 
1 1 1   22   33   11 o  937.537   30.163   23.423   1.4387   20.067   2.0657   26.584   2.0050  869.561   46.205  1005.51   38.785 -135.9514 60.32585 
1 1 1   22   33   13 o  173.731   46.153   0.5355   0.4443   0.4338   0.4875   1.0342   1.0797  140.175   51.522  207.286   76.589 -67.11046 92.30629 
1 1 1   22   33   15 o  352.120   37.308   3.4555   0.6377   3.8538   0.8429   2.9223   0.9753  381.375   42.988  322.865   60.989 58.50977 74.61674 
1 1 1   22   33   17 f  216.553   41.196   1.3203   0.4700   1.4478   0.6657   1.1935   0.6637  226.689   57.137  206.416   59.363 20.27231 82.39291 
1 1 1   22   33   19 o  225.253   39.880   1.4311   0.4606   1.4342   0.6627   1.4283   0.6407  225.341   57.126  225.164   55.662 0.1766510 79.76009 
1 1 1   22   33   21 f  278.207   50.093   1.9077   0.6531   1.4666   0.7543   3.2291   1.3055  226.629   62.646  329.785   78.185 -103.1566 100.1866 
1 1 1   22   33   23 o  241.543   39.076   1.6594   0.4750   1.8023   0.6537   1.4995   0.6915  253.792   51.850  229.295   58.474 24.49637 78.15140 
1 1 1   22   33   25 o  368.631   96.749   4.3689   1.8568   0.0000   0.0000   4.3689   1.8568  ?   ?   368.631   96.749      ?      ? 
1 1 1   22   33   27 o  496.910   46.336   7.0033   1.1827   7.4120   1.7106   6.6290   1.6369  511.085   65.101  482.735   65.954 28.34943 92.67194 
1 1 1   22   33   29 o  112.970   31.483   0.1486   0.2644   0.4267   0.4479   0.0000   0.3275  135.089   49.424   90.850   39.013 44.23905 62.96683 
1 1 1   22   33   31 o  202.907   39.090   1.1868   0.4269   1.5056   0.6137   0.8879   0.5942  228.371   53.252  177.444   57.238 50.92653 78.17933 
1 1 1   22   33   33 o  260.786   50.795   1.5951   0.5866   1.2023   0.6489   3.3504   1.3717  201.660   58.903  319.911   82.770 -118.2511 101.5893 
1 1 1   22   33   35 o  228.373   51.867   1.3250   0.7065   0.5869   0.8633   2.8215   1.2293  165.060   66.392  291.686   79.704 -126.6263 103.7334 
1 1 1   22   33   37 o  218.976   54.430   1.4194   0.7530   0.9177   0.9473   2.2804   1.2409  182.540   70.734  255.412   82.748 -72.87222 108.8599 
1 1 1   22   34    0 o  624.573   56.254   11.118   1.5672   11.528   1.9195   10.300   2.7140  654.403   58.106  594.742   96.341 -0.000000 0.000000 
1 1 1   22   34    2 o  503.046   33.632   6.7327   0.8665   7.4142   1.2285   6.0580   1.2224  529.223   45.152  476.869   49.858 52.35419 67.26424 
1 1 1   22   34    4 o  701.439   33.804   13.088   1.2177   12.547   1.7347   13.614   1.7099  686.474   49.151  716.405   46.423 -29.93091 67.60827 
1 1 1   22   34    6 o  749.902   31.482   14.702   1.2061   13.026   1.6052   16.875   1.8279  701.442   44.511  798.362   44.532 -96.92035 62.96304 
1 1 1   22   34    8 o  203.797   36.720   1.1436   0.3836   1.0646   0.5101   1.2464   0.5818  196.026   50.350  211.567   53.463 -15.54088 73.44012 
1 1 1   22   34   10 o  313.219   31.912   2.6148   0.5116   2.4192   0.7387   2.7950   0.7091  301.345   47.682  325.093   42.427 -23.74832 63.82465 
1 1 1   22   34   12 o  399.491   43.826   4.3513   0.8900   4.2790   1.1711   4.4501   1.3692  397.302   57.334  401.680   66.300 -4.377991 87.65261 
1 1 1   22   34   14 o  407.878   36.086   4.5771   0.7361   5.2973   0.9937   3.7012   1.0959  446.790   43.259  368.966   57.770 77.82404 72.17178 
1 1 1   22   34   16 o  845.797   35.062   19.216   1.5233   18.381   2.1601   20.042   2.1484  826.600   50.828  864.994   48.310 -38.39410 70.12399 
1 1 1   22   34   18 o  191.530   40.722   1.0147   0.4368   1.1791   0.6194   0.8522   0.6161  204.735   56.834  178.325   58.335 26.41051 81.44351 
1 1 1   22   34   20 o  291.569   38.822   2.3786   0.5605   2.3738   0.7837   2.3837   0.8019  291.502   54.289  291.637   55.509 -0.1347961 77.64404 
1 1 1   22   34   22 o  549.949   34.273   8.1621   0.9670   8.1702   1.3269   8.1530   1.4122  551.105   46.832  548.792   50.052 2.313110 68.54514 
1 1 1   22   34   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   34   26 o  229.108   41.854   1.5761   0.5008   1.8308   0.6391   1.1708   0.8061  255.040   50.524  203.176   66.742 51.86449 83.70834 
1 1 1   22   34   28 o  199.725   39.338   1.1420   0.4190   1.0276   0.5725   1.2740   0.6148  189.527   55.314  209.924   55.950 -20.39664 78.67682 
1 1 1   22   34   30 o  147.417   36.325   0.5385   0.3395   0.3852   0.4517   0.7378   0.5149  131.436   49.345  163.398   53.322 -31.96246 72.65077 
1 1 1   22   34   32 o  247.812   40.650   1.8341   0.5089   2.0453   0.6926   1.5862   0.7503  266.159   52.479  229.465   62.093 36.69434 81.29922 
1 1 1   22   34   34 o  204.645   49.069   1.2495   0.5574   1.2744   0.6268   1.1555   1.2189  206.280   57.140  203.010   79.787 3.269150 98.13705 
1 1 1   22   34   36 o  237.832   52.545   1.6387   0.5885   1.4945   0.6464   2.3367   1.4221  221.864   56.513  253.800   88.601 -31.93587 105.0903 
1 1 1   22   35    1 o  425.002   34.422   4.8161   0.7521   4.8788   1.0673   4.7544   1.0600  427.795   48.525  422.209   48.834 5.586029 68.84317 
1 1 1   22   35    3 o  324.388   37.259   2.9037   0.5947   2.3138   0.8520   3.4643   0.8305  287.349   59.626  361.426   44.695 -74.07678 74.51765 
1 1 1   22   35    5 o  239.052   39.167   1.6151   0.4778   1.2020   0.6834   2.0099   0.6682  207.664   60.389  270.440   49.893 -62.77673 78.33338 
1 1 1   22   35    7 o  217.699   34.632   1.3635   0.3976   1.8886   0.5348   0.7152   0.5943  267.755   38.853  167.642   57.341 100.1132 69.26421 
1 1 1   22   35    9 o  408.353   37.087   4.7021   0.7212   5.9022   0.9858   3.3199   1.0580  472.667   40.566  344.039   62.097 128.6272 74.17352 
1 1 1   22   35   11 o  667.505   40.030   11.934   1.3649   10.548   1.8153   13.737   2.0702  623.476   56.630  711.535   56.591 -88.05865 80.05991 
1 1 1   22   35   13 o  228.914   38.105   1.4524   0.4373   1.3439   0.5755   1.6009   0.6728  219.284   51.857  238.544   55.846 -19.25977 76.20972 
1 1 1   22   35   15 o  741.155   32.828   14.724   1.2387   14.983   1.6515   14.391   1.8730  750.775   42.785  731.536   49.801 19.23944 65.65614 
1 1 1   22   35   17 o  262.368   40.043   1.9352   0.5245   1.7134   0.7231   2.1815   0.7620  245.705   58.146  279.032   55.072 -33.32710 80.08646 
1 1 1   22   35   19 o  231.892   40.296   1.5376   0.4788   1.3413   0.6955   1.7144   0.6601  216.930   60.227  246.853   53.551 -29.92294 80.59141 
1 1 1   22   35   21 o  400.274   46.087   4.5119   0.8704   4.6635   1.5038   4.4355   1.0673  396.663   76.511  403.885   51.401 -7.222168 92.17439 
1 1 1   22   35   23 o  248.161   74.821   1.8382   1.0338   1.8382   1.0338   0.0000   0.0000  248.161   74.821  ?   ?       ?      ? 
1 1 1   22   35   25 o  243.895   39.024   1.7053   0.4780   1.7623   0.6748   1.6479   0.6772  248.382   54.355  239.409   56.010 8.973572 78.04875 
1 1 1   22   35   27 o  515.598   36.652   7.4859   0.9497   8.6012   1.2932   6.1803   1.3993  562.745   44.699  468.452   58.099 94.29352 73.30435 
1 1 1   22   35   29 o  140.534   36.272   0.4718   0.3461   0.3182   0.5096   0.6034   0.4716  130.623   51.510  150.445   51.082 -19.82152 72.54401 
1 1 1   22   35   31 o  394.162   37.143   4.4046   0.7435   4.6036   0.9956   4.1537   1.1180  407.430   47.529  380.894   57.091 26.53583 74.28574 
1 1 1   22   35   33 o  259.696   47.816   1.9625   0.6282   2.8141   1.0672   1.5110   0.7771  298.219   70.682  221.173   64.416 77.04562 95.63131 
1 1 1   22   35   35 o  417.243   46.695   5.0005   0.9415   7.5169   1.5660   3.5761   1.1782  500.841   60.816  333.645   70.872 167.1964 93.38917 
1 1 1   22   36    0 o  514.873   52.793   7.2791   1.2568   6.7305   1.5497   8.3330   2.1481  491.974   64.308  537.771   83.743 -0.000000 0.000000 
1 1 1   22   36    2 o  301.780   37.962   2.4926   0.5759   2.3898   0.8240   2.5908   0.8051  292.696   56.804  310.865   50.377 -18.16849 75.92432 
1 1 1   22   36    4 o  519.540   34.861   7.2164   0.9303   7.4501   1.3518   7.0062   1.2822  527.281   49.864  511.798   48.731 15.48361 69.72152 
1 1 1   22   36    6 o  403.759   32.795   4.3283   0.6769   4.1817   0.9039   4.5154   1.0213  396.639   44.323  410.878   48.348 -14.23907 65.59002 
1 1 1   22   36    8 o  444.381   32.996   5.2563   0.7515   5.0887   1.0172   5.4577   1.1151  437.090   45.266  451.671   48.020 -14.58148 65.99168 
1 1 1   22   36   10 o  389.733   44.721   4.1382   0.8634   3.2973   1.1371   5.2835   1.3270  339.599   67.504  439.867   58.678 -100.2681 89.44220 
1 1 1   22   36   12 o  148.592   35.015   0.5667   0.3130   0.6149   0.4596   0.5250   0.4274  153.372   50.393  143.812   48.629 9.559845 70.03046 
1 1 1   22   36   14 o  911.140   32.787   22.127   1.5282   21.290   2.0459   23.183   2.2984  893.122   44.556  929.158   48.113 -36.03632 65.57497 
1 1 1   22   36   16 o  177.609   38.926   0.8689   0.3938   0.7613   0.5843   0.9585   0.5331  169.859   56.863  185.359   53.173 -15.49968 77.85139 
1 1 1   22   36   18 o  788.130   35.397   16.818   1.4342   16.784   2.0348   16.852   2.0219  787.154   50.279  789.106   49.838 -1.952454 70.79369 
1 1 1   22   36   20 o  415.929   55.855   5.6965   1.1296   2.7956   1.7250   7.8745   1.4947  295.980   97.651  535.878   54.254 -239.8974 111.7101 
1 1 1   22   36   22 o  136.051   51.504   0.3934   0.4944   0.3934   0.4944   0.0000   0.0000  136.051   51.504  ?   ?       ?      ? 
1 1 1   22   36   24 o  1278.56   40.592   44.500   2.5980   51.087   4.2850   40.672   3.2669  1342.66   62.075  1214.45   52.323 128.2104 81.18474 
1 1 1   22   36   26 o  216.173   39.593   1.3646   0.4439   1.4568   0.6011   1.2540   0.6584  225.047   52.851  207.299   58.968 17.74771 79.18633 
1 1 1   22   36   28 o  164.032   37.124   0.7025   0.3660   0.4112   0.4891   1.0729   0.5516  135.684   51.262  192.380   53.711 -56.69595 74.24766 
1 1 1   22   36   30 o  237.937   38.888   1.6803   0.4876   2.2073   0.6751   1.1056   0.7051  282.355   46.507  193.519   62.341 88.83665 77.77676 
1 1 1   22   36   32 o  158.894   36.753   0.6870   0.3510   0.4830   0.4719   0.9396   0.5251  138.873   50.744  178.916   53.181 -40.04344 73.50681 
1 1 1   22   36   34 o  401.930   65.093   5.9474   1.2849   6.1342   1.5676   5.5648   2.2430  443.158   68.804  360.701  110.519 82.45712 130.1861 
1 1 1   22   37    1 o  580.239   34.162   9.0178   1.0185   9.4185   1.4460   8.6235   1.4347  593.468   47.392  567.009   49.216 26.45898 68.32417 
1 1 1   22   37    3 o  466.537   34.850   5.8405   0.8355   5.8280   1.1993   5.8522   1.1646  465.733   50.088  467.342   48.471 -1.609711 69.70069 
1 1 1   22   37    5 o  432.268   34.828   5.0188   0.7723   4.9608   1.1257   5.0703   1.0616  429.245   51.008  435.292   47.437 -6.046631 69.65698 
1 1 1   22   37    7 o  530.642   54.779   8.3796   1.1175   8.5884   1.2533   7.5696   2.4685  568.429   42.884  492.855  100.817 75.57394 109.5585 
1 1 1   22   37    9 o  241.023   53.889   1.4495   0.6387   1.2627   0.7165   2.1723   1.4092  211.470   61.929  270.575   88.210 -59.10564 107.7786 
1 1 1   22   37   11 f  492.218   32.097   6.5322   0.8029   5.5141   1.1471   7.5098   1.1242  452.593   49.299  531.843   41.113 -79.24969 64.19303 
1 1 1   22   37   13 o  179.541   36.459   0.8878   0.3682   0.5666   0.5249   1.1992   0.5168  152.001   53.767  207.081   49.256 -55.08025 72.91776 
1 1 1   22   37   15 o  185.549   37.818   0.9293   0.3852   0.6781   0.5126   1.2551   0.5837  160.376   53.247  210.722   53.718 -50.34616 75.63630 
1 1 1   22   37   17 o  517.081   56.089   8.0968   1.3690   6.9894   2.2164   8.7799   1.7407  471.903   94.646  562.260   60.218 -90.35764 112.1784 
1 1 1   22   37   19 o  381.829   53.820   4.9742   1.1231   1.1969   1.7078   7.8528   1.4909  229.224   92.964  534.435   54.259 -305.2105 107.6396 
1 1 1   22   37   21 o  296.732   40.779   2.5089   0.6072   2.1919   0.8739   2.8048   0.8443  273.685   63.358  319.778   51.357 -46.09235 81.55841 
1 1 1   22   37   23 o  654.464   42.010   11.968   1.3624   12.507   2.2581   11.660   1.7083  658.372   66.711  650.557   51.077 7.815063 84.01928 
1 1 1   22   37   25 o  186.152   35.193   0.9356   0.4010   1.6959   0.5676   0.1785   0.5665  245.559   46.669  126.746   52.690 118.8125 70.38592 
1 1 1   22   37   27 o  674.761   35.313   12.647   1.2241   12.178   1.6910   13.163   1.7743  661.898   49.691  687.625   50.189 -25.72766 70.62693 
1 1 1   22   37   29 f  226.642   41.627   1.5354   0.4905   1.3766   0.6805   1.7072   0.7075  214.124   59.615  239.161   58.115 -25.03719 83.25446 
1 1 1   22   37   31 o  222.732   40.962   1.5032   0.4736   1.5566   0.6529   1.4438   0.6880  227.801   56.114  217.662   59.688 10.13896 81.92391 
1 1 1   22   37   33 o  181.525   48.803   0.9234   0.5446   0.9781   0.5933   0.6311   1.3714  180.277   57.095  182.774   79.165 -2.497742 97.60595 
1 1 1   22   38    0 o  269.067   59.201   2.9960   0.8648   3.8068   1.0275   1.0258   1.6016  366.366   59.182  171.768  102.550 -0.000000 0.000000 
1 1 1   22   38    2 o  843.350   34.242   19.133   1.4811   17.786   2.1052   20.454   2.0841  812.389   50.404  874.311   46.364 -61.92212 68.48486 
1 1 1   22   38    4 o  106.692   29.928   0.1665   0.2437   0.2331   0.3669   0.1138   0.3261  113.751   44.036   99.633   40.541 14.11765 59.85646 
1 1 1   22   38    6 o  325.810   52.945   3.4083   0.8341   3.8879   0.9856   2.1979   1.5657  379.597   50.503  272.022   93.070 107.5748 105.8893 
1 1 1   22   38    8 o  500.980   64.455   7.5540   1.6040   7.3833   2.1088   7.7883   2.4708  503.789   81.417  498.171   99.946 5.617676 128.9104 
1 1 1   22   38   10 o  583.069   34.012   9.0640   1.0083   7.3730   1.3624   11.112   1.4995  521.999   50.765  644.139   45.278 -122.1395 68.02320 
1 1 1   22   38   12 o  251.407   44.487   1.8398   0.5695   1.6964   0.8895   1.9395   0.7415  241.313   68.505  261.501   56.777 -20.18848 88.97486 
1 1 1   22   38   14 o  162.514   37.554   0.6601   0.3997   0.1415   0.5935   1.0904   0.5406  128.458   53.712  196.569   52.501 -68.11102 75.10874 
1 1 1   22   38   16 o  340.357   56.808   3.5157   0.9495   3.5648   1.5881   3.4884   1.1845  335.636   90.131  345.077   69.173 -9.441315 113.6153 
1 1 1   22   38   18 o  765.456   33.049   15.796   1.2925   15.191   1.7214   16.578   1.9568  750.474   44.615  780.437   48.769 -29.96289 66.09747 
1 1 1   22   38   20 o  278.929   41.899   2.2528   0.5949   1.6974   0.8479   2.7911   0.8348  239.130   66.537  318.728   50.942 -79.59816 83.79874 
1 1 1   22   38   22 o  320.541   51.973   2.5862   0.9020   1.1027   1.1020   5.5968   1.5699  203.980   76.973  437.102   69.857 -233.1215 103.9461 
1 1 1   22   38   24 o  370.829   37.661   3.8680   0.7127   4.2301   0.9884   3.4761   1.0285  391.245   49.139  350.414   57.087 40.83026 75.32296 
1 1 1   22   38   26 o  144.438   34.353   0.5317   0.3239   0.8208   0.4417   0.1955   0.4765  169.526   48.328  119.349   48.836 50.17753 68.70613 
1 1 1   22   38   28 o  265.166   41.044   2.0687   0.5456   1.6275   0.7359   2.6072   0.8131  231.684   60.957  298.648   54.979 -66.96428 82.08804 
1 1 1   22   38   30 o  219.753   41.208   1.4751   0.4780   1.2304   0.6864   1.7056   0.6662  200.736   61.066  238.769   55.346 -38.03268 82.41505 
1 1 1   22   39    1 o  593.809   34.321   9.4982   1.0473   9.8521   1.4856   9.1485   1.4767  605.247   47.742  582.370   49.321 22.87726 68.64300 
1 1 1   22   39    3 o  289.826   38.571   2.3148   0.5588   2.8983   0.8206   1.8100   0.7632  327.950   48.667  251.701   59.852 76.24898 77.14123 
1 1 1   22   39    5 o  458.780   52.481   5.7184   1.2379   5.7184   1.2379   0.0000   0.0000  458.780   52.481  ?   ?       ?      ? 
1 1 1   22   39    7 o  532.394   46.982   7.8507   1.2691   8.6693   1.9936   7.2928   1.6457  552.804   70.146  511.984   62.520 40.82025 93.96358 
1 1 1   22   39    9 o  242.574   44.605   1.7037   0.5647   1.9285   0.7954   1.4752   0.8018  259.098   60.763  226.050   65.316 33.04742 89.20978 
1 1 1   22   39   11 f  492.470   43.577   6.7583   1.0902   5.5266   1.5081   8.1068   1.5779  442.444   66.297  542.497   56.574 -100.0537 87.15444 
1 1 1   22   39   13 o  194.072   38.186   1.0492   0.3974   0.8460   0.5372   1.2946   0.5904  174.819   54.174  213.325   53.833 -38.50566 76.37291 
1 1 1   22   39   15 o  286.733   40.627   2.3407   0.5978   3.7818   0.8807   1.1093   0.8141  374.052   45.797  199.413   67.117 174.6389 81.25304 
1 1 1   22   39   17 o  162.499   38.412   0.7095   0.3771   0.7508   0.5082   0.6588   0.5625  165.390   52.886  159.607   55.721 5.782562 76.82313 
1 1 1   22   39   19 o  181.605   38.786   0.9399   0.4257   0.4082   0.6514   1.3361   0.5623  146.964   58.148  216.247   51.344 -69.28386 77.57178 
1 1 1   22   39   21 o  476.473   61.635   7.0908   1.4102   6.8031   1.7522   7.6196   2.3760  479.570   71.068  473.376  100.722 6.193573 123.2700 
1 1 1   22   39   23 o  171.337   38.153   0.8207   0.3884   0.5369   0.5569   1.0894   0.5419  148.782   54.999  193.893   52.893 -45.11111 76.30588 
1 1 1   22   39   25 o  173.183   38.194   0.8266   0.3934   1.2017   0.5720   0.4896   0.5420  202.394   53.975  143.972   54.054 58.42241 76.38832 
1 1 1   22   39   27 o  198.493   37.827   1.1104   0.4490   1.9266   0.6463   0.3487   0.6243  257.865   50.555  139.122   56.284 118.7424 75.65462 
1 1 1   22   39   29 o  243.541   43.174   1.8464   0.5450   1.5257   0.7894   2.1385   0.7534  220.271   65.149  266.810   56.671 -46.53828 86.34782 
1 1 1   22   40    0 o  176.297   74.923   1.1839   0.6896   0.0000   0.0000   1.1839   0.6896  176.297   74.923  176.297   74.923 0.000000 0.000000 
1 1 1   22   40    2 o  128.491   49.899   0.3075   0.4722   0.3075   0.4722   0.0000   0.0000  128.491   49.899  ?   ?       ?      ? 
1 1 1   22   40    4 o  367.716   70.746   3.9514   1.2889   3.9514   1.2889   0.0000   0.0000  367.716   70.746  ?   ?       ?      ? 
1 1 1   22   40    6 o  449.897   51.833   6.1114   1.1137   4.6073   1.6895   7.2672   1.4811  385.958   87.197  513.837   56.063 -127.8792 103.6652 
1 1 1   22   40    8 o  272.688   37.825   2.1153   0.5136   2.4550   0.6967   1.7108   0.7602  302.103   44.857  243.273   60.916 58.83066 75.64951 
1 1 1   22   40   10 o  242.322   39.172   1.6637   0.4781   1.4181   0.6524   1.9484   0.7026  222.339   56.853  262.305   53.901 -39.96600 78.34301 
1 1 1   22   40   12 o  473.952   39.147   6.5470   0.8836   5.0243   1.4354   7.4760   1.1211  419.670   66.527  528.235   41.281 -108.5653 78.29443 
1 1 1   22   40   14 o  406.913   35.309   4.4246   0.7274   5.1676   1.1587   3.9414   0.9345  433.383   52.003  380.442   47.775 52.94150 70.61735 
1 1 1   22   40   16 o  432.167   35.146   5.1152   0.7769   5.0152   1.0434   5.2396   1.1637  428.711   47.341  435.622   51.959 -6.911163 70.29176 
1 1 1   22   40   18 o  166.758   40.336   0.7452   0.4201   0.8880   0.5873   0.5955   0.6012  177.632   56.863  155.885   57.224 21.74657 80.67215 
1 1 1   22   40   20 o  299.648   65.811   2.8612   1.0796   2.3301   1.3305   3.8851   1.8472  267.479   85.579  331.817  100.003 -64.33829 131.6223 
1 1 1   22   40   22 o  335.119   41.115   3.2463   0.6912   3.5811   0.9926   2.9312   0.9630  356.013   54.229  314.226   61.814 41.78687 82.22944 
1 1 1   22   40   24 o  255.193   39.904   1.8977   0.5324   1.1738   0.7297   2.7222   0.7787  198.163   63.374  312.224   48.509 -114.0606 79.80841 
1 1 1   22   40   26 o  127.886   32.669   0.2923   0.2928   0.7270   0.4617   0.0000   0.3786  159.536   50.350   96.236   41.640 63.29970 65.33753 
1 1 1   22   40   28 o  330.803   41.319   3.2780   0.6840   3.6365   0.9689   2.9219   0.9658  354.375   53.182  307.230   63.250 47.14548 82.63712 
1 1 1   22   41    1 o  208.657   55.937   1.0977   0.8254   1.0871   1.1584   1.1087   1.1765  207.854   78.800  209.460   79.412 -1.606461 111.8739 
1 1 1   22   41    3 o  529.744   45.251   6.5063   1.0977   11.608   2.2858   4.9771   1.2515  635.869   69.921  423.618   57.461 212.2502 90.50214 
1 1 1   22   41    5 o  281.199   51.748   2.2756   0.6903   2.5855   1.3516   2.1662   0.8029  287.712   85.281  274.687   58.639 13.02530 103.4959 
1 1 1   22   41    7 o  285.784   47.481   2.8264   0.7156   0.9985   1.3494   3.5417   0.8441  209.500   83.435  362.068   45.345 -152.5676 94.96137 
1 1 1   22   41    9 o  337.133   41.830   3.0759   0.6915   4.4674   1.1012   2.1700   0.8885  402.592   53.201  271.674   64.564 130.9173 83.65913 
1 1 1   22   41   11 o  739.654   37.899   15.096   1.4280   15.407   2.1766   14.862   1.8922  742.911   56.986  736.397   49.980 6.513550 75.79829 
1 1 1   22   41   13 o  254.248   45.352   2.0656   0.6015   2.4158   0.7155   1.2213   1.1110  297.698   46.746  210.798   77.730 86.90059 90.70314 
1 1 1   22   41   15 o  264.415   37.570   1.9941   0.4928   2.2745   0.7142   1.7394   0.6809  283.564   50.857  245.267   55.313 38.29657 75.14001 
1 1 1   22   41   17 o  364.808   40.806   3.9615   0.7092   4.8873   0.9576   2.8370   1.0554  423.601   43.968  306.014   68.756 117.5877 81.61238 
1 1 1   22   41   19 o  323.918   58.954   3.2028   0.8943   2.9475   1.0346   3.9576   1.7789  312.428   66.454  335.408   97.397 -22.97971 117.9084 
1 1 1   22   41   21 o  149.516   35.538   0.5720   0.3658   0.0000   0.5803   0.9494   0.4713  117.665   51.229  181.368   49.268 -63.70222 71.07546 
1 1 1   22   41   23 o  180.378   38.874   0.8776   0.4272   1.4828   0.6308   0.3648   0.5807  223.429   55.232  137.326   54.721 86.10255 77.74897 
1 1 1   22   41   25 o  146.404   37.717   0.5471   0.3732   0.6901   0.5205   0.3959   0.5354  157.083   53.663  135.725   53.016 21.35841 75.43478 
1 1 1   22   42    0 f   84.087   39.882   0.0000   0.2928   0.0000   0.9032   0.0000   0.3095  105.152   68.574   63.022   40.744 0.000000 0.000000 
1 1 1   22   42    2 o  400.284   52.359   4.6932   0.9389   4.9032   1.7879   4.6132   1.1032  391.314   90.646  409.254   52.433 -17.93961 104.7183 
1 1 1   22   42    4 o  346.217   53.243   3.5236   0.8181   3.7379   1.6723   3.4562   0.9380  337.886   93.227  354.547   51.461 -16.66125 106.4870 
1 1 1   22   42    6 o  450.505   58.994   7.2912   1.1295   4.1314   2.1438   8.5053   1.3289  341.556  108.565  559.454   46.201 -217.8982 117.9870 
1 1 1   22   42    8 o  205.345   42.611   1.1939   0.4665   1.3545   0.7714   1.1013   0.5857  214.885   64.597  195.805   55.587 19.07991 85.22146 
1 1 1   22   42   10 o  289.899   39.433   2.3869   0.5729   1.8925   0.7935   2.9255   0.8281  253.532   61.501  326.266   49.370 -72.73405 78.86575 
1 1 1   22   42   12 o  269.290   38.449   2.0833   0.5140   2.0866   0.7292   2.0800   0.7245  269.441   54.514  269.139   54.236 0.3026428 76.89819 
1 1 1   22   42   14 o  329.793   36.540   3.0620   0.6010   2.6499   0.8424   3.4891   0.8577  303.034   56.139  356.552   46.787 -53.51718 73.07944 
1 1 1   22   42   16 o  312.655   35.038   2.7085   0.5626   2.8863   0.8154   2.5471   0.7771  322.606   49.164  302.703   49.934 19.90259 70.07527 
1 1 1   22   42   18 o  453.340   55.342   5.3472   1.1304   4.1595   1.2876   9.3376   2.3603  368.050   70.617  538.631   85.231 -170.5813 110.6843 
1 1 1   22   42   20 o  502.943   37.288   7.0777   0.9559   5.9734   1.2783   8.4790   1.4399  457.567   54.337  548.318   51.079 -90.75137 74.57574 
1 1 1   22   42   22 o  324.466   42.045   3.1317   0.6835   2.7785   0.9665   3.4851   0.9668  300.605   64.471  348.326   53.986 -47.72131 84.08941 
1 1 1   22   42   24 o  167.034   38.321   0.7719   0.3772   1.0730   0.5883   0.5616   0.4916  188.739   56.334  145.329   51.966 43.40985 76.64154 
1 1 1   22   43    1 o  248.097   38.556   1.7902   0.5078   2.6797   0.7193   0.9065   0.7171  314.149   44.538  182.046   62.950 132.1024 77.11288 
1 1 1   22   43    3 o  755.794   35.812   15.746   1.3907   16.527   1.9964   15.010   1.9383  774.502   50.138  737.086   51.148 37.41644 71.62372 
1 1 1   22   43    5 o  609.523   36.838   10.366   1.1451   9.3166   1.6588   11.322   1.5829  576.414   55.974  642.633   47.908 -66.21979 73.67668 
1 1 1   22   43    7 o  419.251   44.285   5.3213   0.8623   3.2298   1.2443   7.2536   1.1960  322.613   76.232  515.890   45.094 -193.2769 88.57038 
1 1 1   22   43    9 o  338.518   37.396   3.2524   0.6292   3.5651   0.8671   2.9046   0.9145  360.578   46.775  316.459   58.360 44.11917 74.79158 
1 1 1   22   43   11 o  426.871   35.949   5.1079   0.7806   5.5513   1.0669   4.5970   1.1452  449.824   46.134  403.918   55.145 45.90683 71.89815 
1 1 1   22   43   13 o  181.977   37.020   0.9563   0.3647   0.9219   0.5389   0.9854   0.4954  179.032   54.030  184.921   50.623 -5.888733 74.03980 
1 1 1   22   43   15 o  348.311   36.985   3.4213   0.6393   4.1651   0.9418   2.7858   0.8705  387.789   47.237  308.833   56.922 78.95584 73.96922 
1 1 1   22   43   17 f  193.185   46.095   1.1649   0.5819   1.5000   0.6603   0.0000   1.2312  224.357   57.102  162.013   72.375 62.34404 92.18910 
1 1 1   22   43   19 o  221.046   42.367   1.4815   0.4933   1.4132   0.6839   1.5557   0.7123  215.894   59.638  226.198   60.192 -10.30464 84.73357 
1 1 1   22   43   21 o  582.468   39.709   9.8821   1.1879   10.085   1.7243   9.6986   1.6390  586.942   57.141  577.994   55.154 8.947937 79.41702 
1 1 1   22   43   23 o  296.065   43.722   2.7277   0.6590   1.8864   0.9267   3.5886   0.9374  239.713   70.495  352.417   51.739 -112.7034 87.44400 
1 1 1   22   44    0 o  133.785   50.727   0.7259   0.5060   0.0000   1.1071   0.9175   0.5689  114.538   75.123  153.033   68.187 0.000000 0.000000 
1 1 1   22   44    2 f  143.861   36.234   0.5041   0.3466   0.2996   0.4941   0.7022   0.4863  128.189   50.667  159.533   51.812 -31.34320 72.46832 
1 1 1   22   44    4 o  181.381   40.026   0.9431   0.4130   0.9080   0.6203   0.9711   0.5536  179.088   58.531  183.674   54.612 -4.586609 80.05267 
1 1 1   22   44    6 o  214.356   52.324   1.3428   0.6468   1.3690   0.7410   1.2589   1.3260  214.255   63.047  214.457   83.524 -0.2021637 104.6482 
1 1 1   22   44    8 o  455.759   38.624   5.8832   0.8994   5.6213   1.3250   6.1071   1.2248  443.651   58.089  467.866   50.920 -24.21552 77.24766 
1 1 1   22   44   10 o  301.274   38.171   2.6113   0.5740   2.8188   0.7895   2.3785   0.8361  318.813   48.164  283.735   59.231 35.07791 76.34229 
1 1 1   22   44   12 o  389.560   36.945   4.2829   0.7384   4.3901   1.0221   4.1659   1.0680  395.982   50.204  383.138   54.216 12.84415 73.89096 
1 1 1   22   44   14 o  167.253   39.007   0.7926   0.3902   0.7226   0.5582   0.8595   0.5457  161.781   55.565  172.726   54.762 -10.94499 78.01500 
1 1 1   22   44   16 o  175.353   45.294   0.7158   0.5129   0.4225   0.6246   1.3229   0.8985  143.416   56.876  207.290   70.507 -63.87415 90.58767 
1 1 1   22   44   18 f  277.666   41.050   2.3293   0.5673   2.6050   0.7953   2.0438   0.8094  297.571   53.974  257.760   61.864 39.81094 82.09959 
1 1 1   22   44   20 o  176.546   40.208   0.9278   0.4161   0.8461   0.5940   1.0064   0.5830  170.133   57.331  182.958   56.392 -12.82579 80.41660 
1 1 1   22   45    1 o  624.758   36.649   10.954   1.1771   11.150   1.6676   10.760   1.6616  630.726   51.426  618.789   52.230 11.93756 73.29807 
1 1 1   22   45    3 o  589.882   36.739   9.7760   1.1140   9.7120   1.5863   9.8382   1.5648  587.427   52.526  592.337   51.382 -4.910706 73.47812 
1 1 1   22   45    5 o  313.705   42.437   2.9035   0.6587   3.0587   0.9613   2.7660   0.9045  321.543   60.366  305.867   59.661 15.67606 84.87327 
1 1 1   22   45    7 o  502.845   39.190   7.1570   1.0088   7.8336   1.5150   6.6181   1.3522  523.223   56.317  482.468   54.513 40.75513 78.37946 
1 1 1   22   45    9 o  238.327   38.028   1.7049   0.4841   2.4388   0.6712   0.9091   0.6989  297.674   43.860  178.980   62.135 118.6941 76.05542 
1 1 1   22   45   11 o  190.992   39.746   1.0555   0.4366   1.4972   0.6280   0.6422   0.6075  224.772   54.832  157.212   57.553 67.56026 79.49128 
1 1 1   22   45   13 o  320.576   34.819   2.8876   0.5724   3.1823   0.8338   2.6249   0.7873  336.596   48.183  304.557   50.278 32.03830 69.63818 
1 1 1   22   45   15 o  345.091   49.888   3.7750   0.8440   3.7907   1.1021   3.7527   1.3123  352.599   63.113  337.584   77.278 15.01550 99.77547 
1 1 1   22   45   17 o  172.163   36.954   0.8340   0.3953   0.2999   0.5633   1.3522   0.5549  130.914   53.279  213.411   51.223 -82.49774 73.90862 
1 1 1   22   46    0 o  184.091   67.976   1.1380   0.7081   0.8092   0.7934   2.4255   1.5701  139.648   76.696  228.534  112.253 -0.000000 0.000000 
1 1 1   22   46    2 o  227.668   42.033   1.5615   0.4979   1.4428   0.6963   1.6857   0.7123  218.485   60.105  236.852   58.774 -18.36667 84.06544 
1 1 1   22   46    4 o  193.811   42.330   1.1178   0.4623   1.1546   0.6925   1.0883   0.6210  196.234   61.622  191.389   58.051 4.845169 84.65936 
1 1 1   22   46    6 o  154.531   38.971   0.6320   0.3884   0.6860   0.5873   0.5900   0.5177  159.445   56.823  149.616   53.349 9.828964 77.94231 
1 1 1   22   46    8 o  491.884   40.844   7.1755   1.0035   5.7264   1.4684   8.4455   1.3747  436.077   65.495  547.691   48.819 -111.6139 81.68811 
1 1 1   22   46   10 o  180.435   38.089   0.9078   0.4065   0.4561   0.5535   1.4371   0.5991  140.997   54.224  219.873   53.505 -78.87535 76.17802 
1 1 1   22   46   12 o  339.079   39.347   3.4006   0.6633   3.6851   0.9109   3.0794   0.9677  360.287   49.175  317.871   61.439 42.41592 78.69498 
1 1 1   22   46   14 o  337.337   51.716   3.5483   0.8558   2.8850   1.0841   4.6450   1.3940  297.446   71.726  377.227   74.522 -79.78094 103.4320 
1 1 1   22   47    1 o  186.804   39.771   1.0462   0.4229   1.2731   0.5796   0.7880   0.6183  206.523   53.985  167.084   58.418 39.43871 79.54286 
1 1 1   22   47    3 o  246.923   43.612   1.8920   0.5527   1.7231   0.8217   2.0316   0.7469  234.074   65.633  259.773   57.449 -25.69853 87.22402 
1 1 1   22   47    5 o  325.139   43.830   3.2212   0.7055   3.2766   1.0179   3.1699   0.9788  327.244   62.782  323.035   61.178 4.208649 87.66030 
1 1 1   22   47    7 o  304.472   42.451   2.7708   0.6488   3.8360   0.9643   1.8898   0.8770  365.839   51.269  243.105   67.675 122.7341 84.90284 
1 1 1   22   47    9 o  157.548   42.220   0.6609   0.4594   0.0000   1.0110   0.8328   0.5157  146.716   65.560  168.380   53.217 -21.66426 84.44064 
1 1 1   23    0    1 o  1545.23   50.231   62.101   3.9711   62.415   5.6507   61.793   5.5820  1549.06   71.296  1541.40   70.778 0.000000 0.000000 
1 1 1   23    0    3 o  507.177   76.753   7.0886   1.8657   0.0000   0.0000   7.0886   1.8657  507.177   76.753  507.177   76.753 0.000000 0.000000 
1 1 1   23    0    5 o  119.312   65.388   0.5119   0.5753   0.0000   0.0000   0.5119   0.5753  119.312   65.388  119.312   65.388 0.000000 0.000000 
1 1 1   23    0    7 o  704.743   57.205   14.277   1.7934   9.9010   2.7836   17.382   2.3449  594.494   99.434  814.992   56.590 0.000000 0.000000 
1 1 1   23    0    9 f  162.151   51.992   1.0034   0.5172   0.5247   0.8334   1.3032   0.6595  129.852   75.607  194.451   71.389 0.000000 0.000000 
1 1 1   23    0   11 o  591.265   50.171   9.5960   1.3950   8.7210   2.2381   10.152   1.7839  563.101   82.488  619.429   57.132 0.000000 0.000000 
1 1 1   23    0   13 o  213.651   59.810   1.5625   0.6154   1.9086   1.0235   1.3666   0.7701  232.245   90.088  195.056   78.696 0.000000 0.000000 
1 1 1   23    0   15 o  1325.52   43.783   45.625   2.9257   46.242   4.5519   45.191   3.8191  1331.87   66.860  1319.17   56.547 0.000000 0.000000 
1 1 1   23    0   17 o  929.888   43.602   22.683   2.0463   22.388   3.0839   22.916   2.7353  923.210   65.738  936.566   57.298 0.000000 0.000000 
1 1 1   23    0   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   21 o  136.889   50.084   0.6872   0.4440   0.8333   0.7192   0.5972   0.5645  147.798   75.294  125.981   66.065 0.000000 0.000000 
1 1 1   23    0   23 o  117.556   45.094   0.3858   0.4205   0.0000   0.5701   0.8465   0.6229   86.184   55.561  148.927   71.042 -0.000000 0.000000 
1 1 1   23    0   25 o  172.974   54.871   1.1246   0.5374   1.3720   0.7539   0.8688   0.7664  195.366   77.699  150.582   77.499 -0.000000 0.000000 
1 1 1   23    0   27 o  1258.13   41.524   41.504   2.6678   44.212   3.7709   38.791   3.7747  1300.32   56.651  1215.93   60.727 0.000000 0.000000 
1 1 1   23    0   29 o  179.935   51.798   1.2015   0.5129   1.5643   0.6950   0.7675   0.7601  217.547   70.322  142.324   76.072 -0.000000 0.000000 
1 1 1   23    0   31 o  632.187   61.413   10.748   1.9528   0.0000   0.0000   10.748   1.9528  632.187   61.413  632.187   61.413 -0.000000 0.000000 
1 1 1   23    0   33 o  790.186   43.924   16.781   1.7444   18.921   2.4620   14.623   2.4719  844.181   57.334  736.191   66.560 0.000000 0.000000 
1 1 1   23    0   35 o  104.838   43.537   0.3308   0.3961   0.2302   0.5339   0.4541   0.5909   95.754   58.175  113.922   64.789 -0.000000 0.000000 
1 1 1   23    0   37 o  338.792   55.474   3.4915   0.8405   3.5904   1.2059   3.3981   1.1720  344.243   78.151  333.341   78.753 0.000000 0.000000 
1 1 1   23    0   39 o  530.179   49.498   7.9402   1.2286   9.8398   1.7593   6.1317   1.7166  601.867   58.099  458.490   80.154 0.000000 0.000000 
1 1 1   23    0   41 f  922.768   44.379   23.040   2.0805   21.740   2.9260   24.369   2.9589  894.935   64.359  950.601   61.122 -0.000000 0.000000 
1 1 1   23    0   43 o   69.788   45.137   0.0000   0.3804   0.0000   0.0000   0.0000   0.3804   69.788   45.137   69.788   45.137 0.000000 0.000000 
1 1 1   23    0   45 o  360.889   56.852   4.0623   0.9114   4.9411   1.3075   3.2317   1.2712  413.115   66.798  308.664   92.013 0.000000 0.000000 
1 1 1   23    0   47 o  196.786   82.997   1.5191   0.8473   1.5191   0.8473   0.0000   0.0000  196.786   82.997  196.786   82.997 0.000000 0.000000 
1 1 1   23    0   49 o   97.913   57.958   0.3172   0.5038   0.0000   0.0000   0.3172   0.5038   97.913   57.958   97.913   57.958 -0.000000 0.000000 
1 1 1   23    0   51 o   71.202   46.318   0.0000   0.4084   0.0000   0.0000   0.0000   0.4084   71.202   46.318   71.202   46.318 -0.000000 0.000000 
1 1 1   23    1    0 o  410.035   55.147   4.5639   1.1034   4.5639   1.1034   0.0000   0.0000  410.035   55.147  410.035   55.147 0.000000 0.000000 
1 1 1   23    1    2 o  327.606   38.043   2.8302   0.6226   2.4976   0.8830   3.1592   0.8781  305.562   58.333  349.649   48.849 -44.08646 76.08566 
1 1 1   23    1    4 o  976.731   47.115   24.808   2.3614   23.268   3.3610   26.310   3.3185  946.386   69.076  1007.08   64.093 -60.68927 94.23067 
1 1 1   23    1    6 o  1472.60   43.809   56.148   3.3134   59.828   4.7821   52.749   4.5951  1519.09   61.231  1426.11   62.672 92.98022 87.61855 
1 1 1   23    1    8 o  535.900   37.415   7.4522   1.0046   7.5261   1.2878   7.3374   1.6058  539.709   46.409  532.091   58.700 7.618286 74.82966 
1 1 1   23    1   10 o  1238.72   31.357   39.630   1.9957   41.593   2.8441   37.727   2.8012  1269.03   43.591  1208.41   45.088 60.61987 62.71441 
1 1 1   23    1   12 o  556.458   31.774   8.0104   0.9077   8.4662   1.2801   7.5495   1.2873  572.487   43.493  540.430   46.332 32.05676 63.54712 
1 1 1   23    1   14 f  633.336   30.949   10.376   1.0063   11.025   1.4235   9.7283   1.4226  653.250   42.385  613.423   45.108 39.82751 61.89704 
1 1 1   23    1   16 o  926.540   30.347   22.235   1.4422   23.859   2.0321   20.586   2.0471  960.911   41.134  892.168   44.629 68.74310 60.69383 
1 1 1   23    1   18 o  811.572   42.212   17.041   1.7542   18.157   2.6274   16.144   2.3563  835.167   61.191  787.977   58.163 47.18988 84.42312 
1 1 1   23    1   20 o  188.261   44.163   0.8802   0.4962   0.8933   0.6597   0.8632   0.7531  187.401   60.292  189.122   64.547 -1.720413 88.32612 
1 1 1   23    1   22 o  176.439   38.611   0.8237   0.3874   0.9540   0.4890   0.6041   0.6349  188.186   49.777  164.692   59.038 23.49464 77.22221 
1 1 1   23    1   24 o  801.652   29.291   16.680   1.2069   16.163   1.6971   17.209   1.7167  789.011   41.837  814.293   41.005 -25.28217 58.58133 
1 1 1   23    1   26 o  254.096   34.736   1.7226   0.4421   1.3078   0.6124   2.1743   0.6390  219.142   54.566  289.049   43.001 -69.90736 69.47277 
1 1 1   23    1   28 o  941.548   29.372   23.098   1.4218   23.148   2.0096   23.048   2.0118  942.583   41.470  940.512   41.605 2.070618 58.74305 
1 1 1   23    1   30 o  655.070   35.433   10.957   1.1406   12.411   1.9694   10.223   1.3991  684.975   55.921  625.165   43.530 59.80969 70.86672 
1 1 1   23    1   32 o  508.099   61.445   6.9108   1.6051   6.9108   1.6051   0.0000   0.0000  508.099   61.445  ?   ?       ?      ? 
1 1 1   23    1   34 o  559.088   30.562   8.2255   0.8781   8.5563   1.2535   7.9067   1.2305  570.264   42.755  547.912   43.683 22.35272 61.12449 
1 1 1   23    1   36 o  189.389   34.299   0.9194   0.3792   1.6902   0.5565   0.2513   0.5181  249.137   45.111  129.642   51.678 119.4952 68.59753 
1 1 1   23    1   38 o  141.634   32.673   0.4629   0.2998   0.1070   0.4225   0.8236   0.4254  110.396   45.666  172.872   46.740 -62.47617 65.34531 
1 1 1   23    1   40 o  289.606   36.088   2.3273   0.5161   2.8599   0.7278   1.7886   0.7320  327.817   43.180  251.395   57.836 76.42210 72.17659 
1 1 1   23    1   42 o  301.229   73.088   2.6876   1.1204   2.6876   1.1204   0.0000   0.0000  301.229   73.088  ?   ?       ?      ? 
1 1 1   23    1   44 o  396.214   49.288   4.5790   0.9718   3.7616   1.3536   5.4483   1.3960  352.433   76.870  439.995   61.710 -87.56165 98.57545 
1 1 1   23    1   46 o  144.450   35.478   0.4062   0.3013   0.2232   0.3528   0.8992   0.5790  110.512   43.070  178.388   56.388 -67.87618 70.95557 
1 1 1   23    1   48 o  183.351   43.049   0.9608   0.4909   0.6166   0.7253   1.2516   0.6668  161.579   62.090  205.122   59.648 -43.54359 86.09872 
1 1 1   23    1   50 o  120.498   35.604   0.1424   0.3686   0.0000   0.4910   0.3263   0.5580  108.239   47.124  132.757   53.385 -24.51724 71.20847 
1 1 1   23    2    1 o  1866.61   42.724   88.959   3.8806   94.383   6.7578   86.290   4.7400  1906.19   68.956  1827.04   50.461 79.15210 85.44723 
1 1 1   23    2    3 o  1268.66   48.011   41.888   3.1243   39.238   4.4628   44.436   4.3755  1228.69   70.647  1308.63   65.033 -79.94885 96.02276 
1 1 1   23    2    5 f  409.309   48.257   4.4185   0.9917   4.3565   1.4463   4.4734   1.3624  403.363   72.405  415.254   63.816 -11.89056 96.51385 
1 1 1   23    2    7 o  1401.72   32.616   50.853   2.3459   48.696   3.3769   52.864   3.2612  1372.68   47.850  1430.77   44.334 -58.08423 65.23147 
1 1 1   23    2    9 o  523.896   32.595   7.1095   0.8757   6.6277   1.2514   7.5719   1.2258  506.342   48.069  541.451   44.035 -35.10947 65.19008 
1 1 1   23    2   11 o  1166.39   31.248   35.155   1.8718   37.260   2.6607   33.092   2.6337  1201.11   43.087  1131.66   45.267 69.45068 62.49518 
1 1 1   23    2   13 o  485.363   31.833   6.1108   0.7855   7.2911   1.1265   4.9940   1.0958  531.355   41.237  439.371   48.508 91.98349 63.66678 
1 1 1   23    2   15 o  1450.46   39.866   55.791   2.7126   51.593   4.8811   57.667   3.2628  1407.17   67.469  1493.75   42.485 -86.58594 79.73151 
1 1 1   23    2   17 o  837.463   42.218   18.140   1.8104   19.248   2.7106   17.247   2.4326  860.182   61.291  814.744   58.074 45.43781 84.43509 
1 1 1   23    2   19 o  473.485   37.365   5.9524   0.8601   6.2576   1.0725   5.4023   1.4399  491.739   42.424  455.232   61.520 36.50732 74.72945 
1 1 1   23    2   21 o  1209.87   42.232   38.231   2.6185   38.301   3.5661   38.149   3.8573  1211.84   57.237  1207.90   62.113 3.943604 84.46365 
1 1 1   23    2   23 o  506.336   30.154   6.6710   0.7828   7.1396   1.0970   6.1849   1.1173  524.716   40.664  487.956   44.536 36.75995 60.30748 
1 1 1   23    2   25 o  469.464   35.453   5.4986   0.8254   6.7297   1.4100   4.8569   1.0180  507.069   54.086  431.860   45.852 75.20840 70.90623 
1 1 1   23    2   27 f  750.993   29.468   14.690   1.1371   15.052   1.5938   14.315   1.6226  760.611   40.757  741.375   42.571 19.23627 58.93604 
1 1 1   23    2   29 o  269.857   34.364   1.9711   0.4579   1.4311   0.6436   2.5247   0.6516  228.527   55.360  311.187   40.731 -82.65945 68.72888 
1 1 1   23    2   31 o  287.385   39.056   2.0048   0.5464   1.4079   0.6676   3.2158   0.9508  226.010   57.357  348.759   53.027 -122.7486 78.11292 
1 1 1   23    2   33 o  507.021   43.549   6.9066   1.1351   6.9730   1.6172   6.8421   1.5937  509.364   61.752  504.679   61.422 4.685455 87.09753 
1 1 1   23    2   35 o  213.361   36.364   1.2634   0.3957   1.4224   0.5547   1.0987   0.5646  227.389   48.902  199.332   53.832 28.05666 72.72750 
1 1 1   23    2   37 o  455.210   31.509   5.5561   0.7250   4.4396   1.0287   6.6577   1.0218  407.774   49.068  502.646   39.541 -94.87198 63.01718 
1 1 1   23    2   39 o  199.213   36.838   1.0951   0.3832   0.9043   0.5204   1.3211   0.5665  180.961   52.719  217.465   51.467 -36.50372 73.67599 
1 1 1   23    2   41 f  582.035   41.115   9.6229   1.1341   8.3202   1.9443   10.295   1.3962  543.062   69.639  621.008   43.731 -77.94586 82.23083 
1 1 1   23    2   43 o  625.646   41.932   11.327   1.2178   12.133   1.4792   9.6308   2.1452  672.959   42.754  578.333   72.147 94.62598 83.86377 
1 1 1   23    2   45 o  365.451   37.964   3.5199   0.6893   3.0349   0.8518   4.4405   1.1735  332.610   49.810  398.291   57.307 -65.68109 75.92873 
1 1 1   23    2   47 o  406.837   38.545   4.2670   0.7696   3.3595   0.9345   6.1801   1.3569  346.602   52.441  467.073   56.504 -120.4717 77.08961 
1 1 1   23    2   49 o  199.923   41.859   1.1641   0.4391   1.1064   0.5311   1.2888   0.7805  194.148   52.113  205.699   65.521 -11.55051 83.71848 
1 1 1   23    2   51 o  300.819   48.967   2.9545   0.7982   4.2618   1.1356   1.6780   1.1221  378.501   58.357  223.136   78.649 155.3654 97.93441 
1 1 1   23    3    0 o   93.803   51.942   0.3105   0.3673   0.3105   0.3673   0.0000   0.0000   93.803   51.942   93.803   51.942 0.000000 0.000000 
1 1 1   23    3    2 o  720.435   35.176   13.418   1.3017   14.168   1.8501   12.684   1.8318  740.447   48.599  700.424   50.867 40.02277 70.35122 
1 1 1   23    3    4 o  2108.81   46.503  115.376   5.0320  116.274   7.3616  114.588   6.8940  2115.91   67.672  2101.70   63.801 14.20728 93.00555 
1 1 1   23    3    6 o  205.707   42.724   1.1151   0.5062   0.6098   0.7557   1.5263   0.6817  173.352   64.071  238.061   56.536 -64.70874 85.44778 
1 1 1   23    3    8 o  1755.17   32.118   79.519   2.8952   80.967   4.2060   78.214   3.9915  1770.20   46.214  1740.15   44.614 30.04834 64.23530 
1 1 1   23    3   10 o  2384.33   31.515  147.042   3.8585  141.548   5.5229  152.279   5.3929  2340.42   45.899  2428.24   43.198 -87.82129 63.02979 
1 1 1   23    3   12 o  1326.23   31.013   45.443   2.1143   46.397   2.9966   44.497   2.9836  1340.16   43.492  1312.31   44.222 27.84363 62.02539 
1 1 1   23    3   14 o  2047.72   40.910  112.510   3.8896   99.957   7.0410  118.023   4.6663  1958.24   69.936  2137.20   42.467 -178.9525 81.81979 
1 1 1   23    3   16 o  1400.77   34.949   50.652   2.4148   50.225   3.0109   51.422   4.0427  1393.98   42.012  1407.56   55.864 -13.57471 69.89837 
1 1 1   23    3   18 o  460.617   30.514   5.4872   0.7222   5.4349   1.0026   5.5435   1.0412  458.379   42.545  462.854   43.754 -4.475220 61.02827 
1 1 1   23    3   20 o  734.308   37.306   13.473   1.2931   12.704   1.5290   15.406   2.4232  700.393   42.461  768.224   61.352 -67.83154 74.61200 
1 1 1   23    3   22 o  969.121   36.000   24.601   1.7065   23.951   2.8772   24.954   2.1196  957.244   58.462  980.997   42.025 -23.75262 71.99907 
1 1 1   23    3   24 o  159.919   30.592   0.6539   0.3077   1.1886   0.4149   0.0000   0.4588  210.692   39.760  109.147   46.504 101.5447 61.18451 
1 1 1   23    3   26 o  606.133   29.782   9.5525   0.9256   8.6446   1.2899   10.517   1.3291  576.205   43.542  636.060   40.644 -59.85461 59.56349 
1 1 1   23    3   28 o  572.460   30.265   8.5397   0.8877   7.6205   1.2339   9.5260   1.2782  540.235   44.425  604.686   41.114 -64.45068 60.53034 
1 1 1   23    3   30 o  228.154   46.014   1.3962   0.5806   1.8830   0.8459   0.9626   0.7983  260.725   63.659  195.582   66.458 65.14339 92.02754 
1 1 1   23    3   32 o  533.133   30.263   7.4538   0.8294   7.2661   1.1661   7.6460   1.1798  526.268   43.100  540.000   42.495 -13.73187 60.52660 
1 1 1   23    3   34 o  186.637   38.341   0.8264   0.3805   1.4002   0.6680   0.5507   0.4630  224.402   57.605  148.871   50.613 75.53015 76.68140 
1 1 1   23    3   36 o  588.874   31.133   9.2156   0.9316   10.932   1.3304   7.5648   1.3049  644.312   40.163  533.436   47.581 110.8762 62.26625 
1 1 1   23    3   38 o  272.685   35.510   2.0636   0.4768   2.8490   0.6851   1.3258   0.6641  328.309   40.588  217.061   58.279 111.2478 71.02010 
1 1 1   23    3   40 o  209.648   41.676   1.3076   0.4755   1.5555   0.5801   0.8000   0.8302  236.610   49.288  182.686   67.218 53.92436 83.35163 
1 1 1   23    3   42 o  427.620   45.103   4.9068   0.9916   4.9068   0.9916   0.0000   0.0000  427.620   45.103  ?   ?       ?      ? 
1 1 1   23    3   44 o  460.322   51.030   6.3342   1.1082   9.0813   1.5991   3.7959   1.5371  573.573   54.227  347.071   86.463 226.5021 102.0607 
1 1 1   23    3   46 o  276.058   42.142   2.3100   0.5667   2.5667   0.7028   1.8330   0.9581  307.128   44.506  244.989   71.575 62.13950 84.28388 
1 1 1   23    3   48 f  497.590   47.087   7.8082   1.0337   8.6938   1.2677   6.0516   1.7855  562.951   43.802  432.229   83.368 130.7219 94.17412 
1 1 1   23    3   50 o  492.932   39.252   6.4091   0.9402   5.1555   1.1265   9.2882   1.7072  424.684   51.592  561.181   59.171 -136.4977 78.50412 
1 1 1   23    4    1 o  567.239   35.895   8.3328   1.0430   9.2111   1.4823   7.4715   1.4678  597.048   48.289  537.430   53.122 59.61810 71.78958 
1 1 1   23    4    3 o  787.830   69.144   16.127   2.8006   16.127   2.8006   0.0000   0.0000  787.830   69.144  ?   ?       ?      ? 
1 1 1   23    4    5 o  624.465   44.880   10.012   1.4330   11.191   2.1680   9.0981   1.9097  656.689   64.214  592.241   62.718 64.44794 89.76022 
1 1 1   23    4    7 o  1181.39   38.365   35.630   2.1961   37.615   3.8535   34.675   2.6725  1204.12   62.247  1158.65   44.864 45.47229 76.72990 
1 1 1   23    4    9 o  274.270   36.057   2.0203   0.4908   1.5802   0.7093   2.4244   0.6797  242.140   57.781  306.400   43.148 -64.25998 72.11404 
1 1 1   23    4   11 o  874.338   31.583   19.746   1.4194   20.280   2.0255   19.231   1.9898  885.960   44.468  862.715   44.861 23.24530 63.16552 
1 1 1   23    4   13 f  2453.57   40.864  159.974   4.6663  147.032   8.4964  165.564   5.5838  2375.75   69.561  2531.40   42.904 -155.6528 81.72842 
1 1 1   23    4   15 o  1417.38   35.325   52.329   2.4646   53.085   3.0831   50.989   4.1020  1433.24   41.841  1401.52   56.927 31.71997 70.64966 
1 1 1   23    4   17 f  1178.94   30.132   36.090   1.8187   38.668   2.5253   33.311   2.6214  1223.26   40.153  1134.63   44.938 88.63086 60.26373 
1 1 1   23    4   19 o  883.801   29.692   20.229   1.3471   20.487   1.8614   19.945   1.9520  889.908   40.685  877.693   43.258 12.21423 59.38419 
1 1 1   23    4   21 o  710.193   36.121   12.155   1.2171   10.797   1.4324   15.679   2.3080  645.346   43.172  775.041   57.922 -129.6945 72.24138 
1 1 1   23    4   23 o  1056.67   35.120   28.220   1.8341   32.203   3.1306   26.138   2.2631  1110.21   54.847  1003.13   43.881 107.0812 70.24013 
1 1 1   23    4   25 o  1162.70   29.273   35.111   1.7491   34.502   2.4317   35.764   2.5178  1152.36   41.045  1173.03   41.749 -20.67163 58.54582 
1 1 1   23    4   27 o  785.789   29.638   16.065   1.1967   15.370   1.6659   16.806   1.7202  768.180   42.180  803.398   41.647 -35.21802 59.27580 
1 1 1   23    4   29 o  340.487   46.211   3.2109   0.7828   2.3343   1.1188   4.0516   1.0957  289.008   74.737  391.966   54.371 -102.9579 92.42239 
1 1 1   23    4   31 o  306.482   32.520   2.4736   0.5109   2.6505   0.7163   2.2904   0.7290  317.965   43.818  295.000   48.065 22.96457 65.04063 
1 1 1   23    4   33 o  257.619   42.439   2.0469   0.5709   2.6276   0.7026   0.9185   0.9794  316.145   43.225  199.093   73.047 117.0517 84.87772 
1 1 1   23    4   35 o  151.669   31.247   0.5717   0.2924   0.1252   0.4155   1.0100   0.4116  111.202   45.564  192.135   42.772 -80.93302 62.49393 
1 1 1   23    4   37 o  226.914   43.031   1.2805   0.4836   0.9763   0.5757   2.0102   0.8916  188.296   55.616  265.532   65.677 -77.23615 86.06194 
1 1 1   23    4   39 o  336.692   44.095   3.3511   0.6896   3.7236   0.8508   2.6377   1.1776  374.003   44.247  299.380   76.287 74.62283 88.19006 
1 1 1   23    4   41 o  265.385   68.624   2.0543   0.9433   2.0543   0.9433   0.0000   0.0000  265.385   68.624  ?   ?       ?      ? 
1 1 1   23    4   43 o  480.501   39.764   6.4657   0.9217   6.6789   1.1392   6.0617   1.5684  498.338   44.465  462.664   65.936 35.67371 79.52833 
1 1 1   23    4   45 o  182.599   41.301   0.9389   0.4539   1.2050   0.6076   0.6029   0.6828  204.342   56.117  160.856   60.614 43.48639 82.60273 
1 1 1   23    4   47 o  203.589   38.579   1.0418   0.4120   0.6232   0.5039   1.8864   0.7158  153.099   52.781  254.080   56.279 -100.9804 77.15729 
1 1 1   23    4   49 o  188.994   38.663   1.0409   0.3545   1.0558   0.3988   0.9847   0.7741  193.158   41.406  184.830   65.305 8.328735 77.32509 
1 1 1   23    5    0 o  1284.52   72.652   43.070   4.7628   0.0000   0.0000   43.070   4.7628  1284.52   72.652  1284.52   72.652 -0.000000 0.000000 
1 1 1   23    5    2 o  1161.16   50.339   35.094   3.0011   37.063   4.2348   33.108   4.2535  1194.31   68.968  1128.01   73.344 66.30151 100.6775 
1 1 1   23    5    4 o  484.199   71.807   6.0985   1.7876   6.0985   1.7876   0.0000   0.0000  484.199   71.807  ?   ?       ?      ? 
1 1 1   23    5    6 o  310.692   73.927   2.6130   1.1638   2.6130   1.1638   0.0000   0.0000  310.692   73.927  ?   ?       ?      ? 
1 1 1   23    5    8 o  372.015   52.667   3.6993   0.9618   3.5362   1.2582   3.9287   1.4918  362.764   69.999  381.266   78.711 -18.50232 105.3345 
1 1 1   23    5   10 o  1031.20   41.904   27.664   1.9888   27.386   3.7625   27.772   2.3429  1025.53   71.360  1036.87   43.950 -11.33423 83.80798 
1 1 1   23    5   12 f  1082.91   44.109   30.445   2.4080   30.544   3.7992   30.379   3.1133  1083.27   68.216  1082.55   55.937 0.7235107 88.21805 
1 1 1   23    5   14 o  406.919   37.344   4.3677   0.7526   4.6064   0.9602   3.9875   1.2119  422.086   44.248  391.751   60.170 30.33456 74.68793 
1 1 1   23    5   16 o  473.787   31.176   5.8137   0.7567   5.9075   1.0328   5.7048   1.1120  478.055   42.021  469.519   46.065 8.536499 62.35223 
1 1 1   23    5   18 o  565.813   30.394   8.3176   0.8805   8.8168   1.2167   7.7687   1.2758  583.916   40.528  547.709   45.306 36.20667 60.78777 
1 1 1   23    5   20 o  894.505   29.735   20.727   1.3645   20.763   1.8701   20.686   1.9953  895.552   40.617  893.458   43.438 2.093689 59.46960 
1 1 1   23    5   22 o  332.265   44.682   3.0630   0.6615   3.2017   0.7779   2.7006   1.2576  351.260   43.072  313.270   78.299 37.99051 89.36382 
1 1 1   23    5   24 o  474.158   36.501   5.7119   0.8531   6.4290   1.4615   5.3413   1.0507  495.235   57.399  453.081   45.108 42.15424 73.00274 
1 1 1   23    5   26 o  108.297   30.279   0.1560   0.2553   0.2800   0.3420   0.0000   0.3836  116.791   43.115   99.803   42.524 16.98768 60.55737 
1 1 1   23    5   28 o  300.358   43.002   2.5638   0.6124   2.0503   1.0536   2.8259   0.7526  271.817   73.589  328.899   44.510 -57.08185 86.00336 
1 1 1   23    5   30 o  318.434   34.378   2.7193   0.5370   2.0538   0.7454   3.4377   0.7744  274.183   54.795  362.685   41.530 -88.50284 68.75504 
1 1 1   23    5   32 o  706.482   30.180   13.096   1.0960   12.762   1.5466   13.434   1.5533  697.272   43.142  715.693   42.215 -18.42157 60.36011 
1 1 1   23    5   34 o  188.873   40.729   0.8078   0.5024   0.0000   0.6980   1.6763   0.7237  132.508   56.930  245.238   58.263 -112.7309 81.45892 
1 1 1   23    5   36 o  195.969   40.430   0.9129   0.4014   0.6904   0.4714   1.4999   0.7658  161.223   50.871  230.716   62.852 -69.49306 80.85944 
1 1 1   23    5   38 o  562.872   39.118   8.6566   1.0503   8.8097   1.2778   8.3378   1.8442  576.181   43.136  549.562   65.270 26.61816 78.23603 
1 1 1   23    5   40 o  910.075   62.194   22.878   2.9100   22.878   2.9100   0.0000   0.0000  910.075   62.194  ?   ?       ?      ? 
1 1 1   23    5   42 o  234.507   44.997   1.5348   0.5189   1.4627   0.6141   1.7148   0.9705  227.341   53.438  241.673   72.409 -14.33240 89.99332 
1 1 1   23    5   44 o  459.451   40.234   5.9367   0.8889   6.0761   1.0928   5.6643   1.5280  474.162   44.828  444.741   66.826 29.42139 80.46886 
1 1 1   23    5   46 o  501.310   35.609   6.5730   0.8014   6.1887   0.9205   7.7765   1.6288  480.743   37.242  521.877   60.705 -41.13394 71.21837 
1 1 1   23    5   48 o  290.069   45.597   2.7225   0.6443   3.0942   0.7833   1.9447   1.1332  334.819   45.504  245.321   79.031 89.49786 91.19499 
1 1 1   23    5   50 o  195.767   51.879   1.1374   0.5305   1.1374   0.5305   0.0000   0.0000  195.767   51.879  ?   ?       ?      ? 
1 1 1   23    6    1 f  437.796   51.609   5.0541   1.1348   5.5177   1.6329   4.6210   1.5782  460.786   68.926  414.806   76.831 45.97943 103.2172 
1 1 1   23    6    3 o  828.038   62.533   17.786   2.6621   0.0000   0.0000   17.786   2.6621  ?   ?   828.038   62.533      ?      ? 
1 1 1   23    6    5 o  2073.17   56.545  111.325   6.0269   0.0000   0.0000  111.325   6.0269  ?   ?   2073.17   56.545      ?      ? 
1 1 1   23    6    7 o  159.277   48.496   0.6580   0.4328   0.0000   0.0000   0.6580   0.4328  ?   ?   159.277   48.496      ?      ? 
1 1 1   23    6    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   11 o  289.326   45.087   2.2217   0.6496   2.6215   0.9898   1.9192   0.8609  312.109   63.834  266.543   63.691 45.56619 90.17371 
1 1 1   23    6   13 o  769.617   31.235   15.309   1.2351   14.561   1.7331   16.082   1.7605  750.427   44.922  788.807   43.411 -38.38031 62.46947 
1 1 1   23    6   15 o  666.045   31.299   11.564   1.0631   12.777   1.4712   10.238   1.5380  703.195   40.693  628.896   47.566 74.29919 62.59758 
1 1 1   23    6   17 o  1248.68   30.024   40.465   1.9192   42.179   2.6318   38.517   2.8048  1277.44   40.072  1219.91   44.721 57.53357 60.04764 
1 1 1   23    6   19 o  1524.95   29.501   60.196   2.3084   60.114   3.1666   60.289   3.3723  1524.18   40.410  1525.73   42.991 -1.555298 59.00193 
1 1 1   23    6   21 o  1877.27   29.400   91.658   2.8253   95.573   3.8737   87.208   4.1296  1921.10   39.220  1833.44   43.810 87.65845 58.80087 
1 1 1   23    6   23 o  503.197   44.952   6.6309   1.1583   6.3707   1.5586   6.9520   1.7313  492.567   61.546  513.826   65.536 -21.25870 89.90449 
1 1 1   23    6   25 o  338.585   31.557   2.9966   0.5470   3.2658   0.7667   2.7176   0.7806  354.369   42.083  322.801   47.037 31.56842 63.11417 
1 1 1   23    6   27 o  645.415   43.362   10.863   1.4389   0.0000   0.0000   10.863   1.4389  ?   ?   645.415   43.362      ?      ? 
1 1 1   23    6   29 o  1000.55   37.502   27.227   1.7825   28.826   2.1836   24.032   3.0860  1051.21   40.403  949.886   63.191 101.3239 75.00335 
1 1 1   23    6   31 f  780.169   36.449   15.371   1.3773   14.075   1.6584   18.253   2.4727  732.424   44.040  827.914   58.091 -95.49023 72.89794 
1 1 1   23    6   33 o  417.000   39.593   4.5862   0.7871   4.4888   0.9465   4.8047   1.4170  412.781   44.598  421.218   65.434 -8.437073 79.18695 
1 1 1   23    6   35 o  199.900   46.784   1.0311   0.5907   1.4842   0.8038   0.4990   0.8710  229.899   65.073  169.901   67.233 59.99750 93.56705 
1 1 1   23    6   37 o  388.082   39.264   3.9502   0.7339   3.7384   0.8846   4.4179   1.3146  374.870   45.900  401.294   63.717 -26.42441 78.52780 
1 1 1   23    6   39 o  158.724   43.153   0.5082   0.4928   0.4815   0.6577   0.5424   0.7439  154.234   59.160  163.213   62.839 -8.978760 86.30563 
1 1 1   23    6   41 o  417.329   45.605   5.1709   0.8486   5.6072   1.0282   4.2389   1.5027  458.100   43.656  376.559   80.084 81.54105 91.21012 
1 1 1   23    6   43 o  392.000   37.047   4.1010   0.6462   3.9936   0.7440   4.4307   1.3039  387.760   37.322  396.239   64.007 -8.479034 74.09341 
1 1 1   23    6   45 o  377.180   40.099   3.8866   0.7382   3.6739   0.9027   4.3161   1.2826  366.452   47.913  387.909   64.312 -21.45740 80.19762 
1 1 1   23    6   47 o  550.291   37.883   8.4390   0.9178   8.3661   1.0578   8.6609   1.8462  558.085   36.866  542.498   66.192 15.58777 75.76589 
1 1 1   23    6   49 o  229.704   69.911   1.6699   0.8995   0.0000   0.0000   1.6699   0.8995  ?   ?   229.704   69.911      ?      ? 
1 1 1   23    7    0 o  1294.99   70.526   43.740   4.6637   43.740   4.6637   0.0000   0.0000  1294.99   70.526  1294.99   70.526 0.000000 0.000000 
1 1 1   23    7    2 o  597.185   48.473   9.3476   1.4749   8.4338   2.1627   10.142   2.0167  569.134   73.910  625.235   62.737 -56.10071 96.94650 
1 1 1   23    7    4 o  1664.14   57.052   71.746   4.8812   0.0000   0.0000   71.746   4.8812  ?   ?   1664.14   57.052      ?      ? 
1 1 1   23    7    6 o  652.806   55.120   11.037   1.8499   0.0000   0.0000   11.037   1.8499  ?   ?   652.806   55.120      ?      ? 
1 1 1   23    7    8 o  1372.36   36.385   48.721   2.5416   48.620   3.3638   48.856   3.8797  1371.33   47.712  1373.39   54.946 -2.058594 72.77019 
1 1 1   23    7   10 o  466.668   47.773   5.6318   1.1462   5.6318   1.1462   0.0000   0.0000  466.668   47.773  ?   ?       ?      ? 
1 1 1   23    7   12 o  480.364   38.644   6.1407   0.9029   5.4587   1.5010   6.5273   1.1302  458.186   63.719  502.543   43.742 -44.35724 77.28812 
1 1 1   23    7   14 o  302.860   34.315   2.4137   0.5213   2.2307   0.7415   2.5927   0.7331  289.119   51.786  316.601   45.037 -27.48181 68.63057 
1 1 1   23    7   16 o  510.660   31.199   6.7387   0.8173   6.6362   1.1154   6.8576   1.2010  506.565   42.826  514.755   45.381 -8.189697 62.39775 
1 1 1   23    7   18 o  915.665   30.176   21.803   1.4133   22.996   1.9389   20.450   2.0644  942.904   39.996  888.426   45.196 54.47839 60.35202 
1 1 1   23    7   20 o  354.403   30.747   3.2473   0.5594   3.0436   0.7686   3.4767   0.8157  342.611   43.637  366.195   43.328 -23.58447 61.49378 
1 1 1   23    7   22 f  561.209   39.338   8.7282   1.0506   6.6929   1.7315   9.9141   1.3216  504.257   66.787  618.160   41.585 -113.9028 78.67554 
1 1 1   23    7   24 o  453.146   49.869   5.7176   1.0884   6.8628   1.4665   4.3131   1.6241  511.749   55.739  394.543   82.710 117.2060 99.73842 
1 1 1   23    7   26 f  377.225   41.982   4.0036   0.7319   3.2307   1.2289   4.4285   0.9111  342.154   72.130  412.295   42.980 -70.14066 83.96446 
1 1 1   23    7   28 o  408.617   43.741   4.3621   0.9189   4.3621   0.9189   0.0000   0.0000  408.617   43.741  ?   ?       ?      ? 
1 1 1   23    7   30 o  313.799   43.994   2.7025   0.6138   2.7323   0.7139   2.6181   1.2017  323.048   42.985  304.550   76.773 18.49783 87.98744 
1 1 1   23    7   32 o  253.370   42.848   1.9076   0.5423   2.2072   0.6502   1.2224   0.9832  289.801   43.639  216.940   73.753 72.86121 85.69623 
1 1 1   23    7   34 o  689.599   42.355   12.525   1.5017   12.525   1.5017   0.0000   0.0000  689.599   42.355  ?   ?       ?      ? 
1 1 1   23    7   36 o  202.005   43.259   1.1288   0.4741   1.1735   0.5803   1.0390   0.8222  205.265   54.188  198.745   67.446 6.520813 86.51790 
1 1 1   23    7   38 o  684.479   44.471   12.883   1.5633   12.813   2.1604   12.961   2.2650  683.507   61.480  685.451   64.273 -1.944092 88.94255 
1 1 1   23    7   40 o  479.070   37.213   6.0605   0.9166   6.0605   0.9166   0.0000   0.0000  479.070   37.213  ?   ?       ?      ? 
1 1 1   23    7   42 o  296.297   43.289   3.0023   0.5702   3.5241   0.6597   1.4610   1.1339  365.234   35.134  227.359   79.129 137.8757 86.57882 
1 1 1   23    7   44 o  280.405   33.550   1.6623   0.4216   1.0610   0.4809   3.6610   0.8768  193.663   48.425  367.148   46.449 -173.4859 67.10067 
1 1 1   23    7   46 o  217.677   42.610   1.3417   0.4695   1.2240   0.5699   1.5906   0.8284  205.561   53.433  229.792   66.388 -24.23114 85.21970 
1 1 1   23    7   48 o  131.077   35.986   0.2546   0.3524   0.0000   0.4491   0.6626   0.5685  104.527   45.289  157.627   55.937 -53.10061 71.97234 
1 1 1   23    7   50 o  128.110   41.003   0.4509   0.3054   0.4509   0.3054   0.0000   0.0000  128.110   41.003  ?   ?       ?      ? 
1 1 1   23    8    1 o  1838.69   35.074   87.355   3.3143   90.472   4.7613   84.425   4.6164  1870.50   49.511  1806.87   49.695 63.62805 70.14878 
1 1 1   23    8    3 o  469.013   42.424   5.6352   0.9254   5.8669   1.7427   5.5442   1.0920  474.801   71.390  463.224   45.854 11.57639 84.84717 
1 1 1   23    8    5 o  1027.41   43.421   27.103   2.2467   28.772   3.6008   26.039   2.8750  1052.21   66.563  1002.61   55.774 49.59509 86.84110 
1 1 1   23    8    7 o  381.802   53.903   3.8968   1.0168   3.5553   1.3612   4.3279   1.5294  362.766   75.440  400.839   77.013 -38.07315 107.8067 
1 1 1   23    8    9 o  559.320   33.049   8.1094   0.9465   7.8134   1.3875   8.3670   1.2945  549.585   49.104  569.055   44.245 -19.46979 66.09729 
1 1 1   23    8   11 o  652.567   41.897   10.427   1.2875   9.5865   1.5132   12.633   2.4504  608.682   48.354  696.452   68.435 -87.77051 83.79408 
1 1 1   23    8   13 o  556.411   39.695   8.3623   1.0637   7.0041   1.7694   9.1309   1.3311  518.539   66.370  594.284   43.565 -75.74536 79.39076 
1 1 1   23    8   15 o  630.331   30.658   10.247   0.9919   9.8026   1.3556   10.759   1.4552  615.715   42.823  644.947   43.886 -29.23163 61.31697 
1 1 1   23    8   17 o  300.663   32.494   2.3339   0.5014   2.1793   0.6866   2.5105   0.7340  290.026   46.044  311.299   45.863 -21.27283 64.98837 
1 1 1   23    8   19 o  441.243   38.952   5.1901   0.8317   4.6976   1.4038   5.4565   1.0325  423.673   64.446  458.813   43.771 -35.14050 77.90459 
1 1 1   23    8   21 o  388.914   32.641   4.0599   0.6302   4.9461   0.8594   3.0287   0.9270  437.011   38.250  340.817   52.904 96.19363 65.28293 
1 1 1   23    8   23 o  311.518   35.954   2.6961   0.5350   3.5539   0.7379   1.7453   0.7769  370.160   38.776  252.877   60.558 117.2831 71.90849 
1 1 1   23    8   25 o  443.427   67.375   5.2134   1.5360   0.0000   0.0000   5.2134   1.5360  ?   ?   443.427   67.375      ?      ? 
1 1 1   23    8   27 o  1646.90   40.863   70.663   3.4599   70.663   3.4599   0.0000   0.0000  1646.90   40.863  ?   ?       ?      ? 
1 1 1   23    8   29 o  264.033   44.663   2.1991   0.5866   2.6270   0.6810   0.9688   1.1546  317.069   41.775  210.998   78.956 106.0711 89.32689 
1 1 1   23    8   31 o  204.664   41.150   0.9329   0.4177   0.6563   0.4840   1.7400   0.8267  159.462   51.678  249.866   64.052 -90.40341 82.30001 
1 1 1   23    8   33 o  646.637   38.692   10.948   1.1845   10.612   1.4134   11.739   2.1711  634.845   43.303  658.429   64.135 -23.58423 77.38443 
1 1 1   23    8   35 o  217.677   47.432   1.2584   0.6066   0.7547   0.8330   1.8271   0.8850  181.738   67.250  253.616   66.907 -71.87814 94.86376 
1 1 1   23    8   37 o  505.930   35.974   6.5271   0.8042   6.2145   0.9172   7.5668   1.6727  486.151   36.697  525.709   61.886 -39.55826 71.94840 
1 1 1   23    8   39 o  766.835   43.419   15.653   1.7118   15.653   1.7118   0.0000   0.0000  766.835   43.419  ?   ?       ?      ? 
1 1 1   23    8   41 o  192.493   35.327   1.1886   0.3657   1.4551   0.4165   0.2915   0.7642  234.970   34.480  150.016   61.669 84.95422 70.65385 
1 1 1   23    8   43 o  256.224   38.110   1.6341   0.4350   1.3827   0.4993   2.4263   0.8863  222.847   45.124  289.602   61.428 -66.75526 76.22042 
1 1 1   23    8   45 o  189.523   42.130   0.9453   0.4196   0.8285   0.4914   1.2597   0.8062  171.423   51.564  207.624   66.639 -36.20105 84.25900 
1 1 1   23    8   47 o  362.927   45.652   3.8895   0.7634   3.8681   0.9192   3.9371   1.3705  373.621   47.851  352.233   77.760 21.38794 91.30390 
1 1 1   23    8   49 o  241.206   69.890   1.8575   0.9169   1.8575   0.9169   0.0000   0.0000  241.206   69.890  ?   ?       ?      ? 
1 1 1   23    9    0 o  1050.12   50.313   28.630   2.7021   0.0000   0.0000   28.630   2.7021  1050.12   50.313  1050.12   50.313 -0.000000 0.000000 
1 1 1   23    9    2 f  1650.60   33.677   70.318   2.8501   71.866   4.2068   69.005   3.8750  1667.08   49.083  1634.12   46.123 32.95984 67.35313 
1 1 1   23    9    4 o  718.019   44.375   13.364   1.5915   13.466   2.5794   13.301   2.0224  719.406   69.738  716.631   54.891 2.774597 88.74924 
1 1 1   23    9    6 o  424.301   43.985   4.7813   0.8421   4.6461   1.5568   4.8372   1.0011  415.929   75.585  432.672   45.006 -16.74289 87.96951 
1 1 1   23    9    8 f  470.562   33.332   5.6836   0.7999   6.7926   1.1828   4.7488   1.0859  512.685   44.874  428.439   49.300 84.24594 66.66443 
1 1 1   23    9   10 o  950.172   32.239   23.286   1.5708   25.767   2.2788   21.039   2.1683  998.427   44.393  901.917   46.761 96.50983 64.47750 
1 1 1   23    9   12 o  716.626   48.474   13.455   1.7525   13.754   2.2843   13.026   2.7321  727.400   61.081  705.852   75.286 21.54803 96.94777 
1 1 1   23    9   14 o  561.178   39.572   8.4680   1.0710   7.2611   1.7902   9.1409   1.3367  527.844   65.966  594.513   43.731 -66.66919 79.14483 
1 1 1   23    9   16 f  181.242   34.718   0.8936   0.3458   1.1903   0.4656   0.5286   0.5164  210.531   44.414  151.954   53.373 58.57695 69.43528 
1 1 1   23    9   18 o  447.499   30.855   5.1261   0.7045   4.3489   0.9441   6.1026   1.0582  409.590   44.834  485.408   42.404 -75.81802 61.71044 
1 1 1   23    9   20 o  347.497   41.435   2.9391   0.6446   2.6439   0.7439   3.8282   1.2911  319.094   45.344  375.901   69.364 -56.80698 82.86990 
1 1 1   23    9   22 o  372.746   42.445   3.5664   0.7022   3.4132   0.8157   4.0048   1.3800  362.399   43.782  383.092   72.728 -20.69333 84.88964 
1 1 1   23    9   24 o  440.986   47.057   5.1280   1.0468   5.0540   1.3518   5.2387   1.6542  438.206   60.003  443.766   72.505 -5.559540 94.11383 
1 1 1   23    9   26 o  497.725   42.549   6.4569   1.0888   6.4569   1.0888   0.0000   0.0000  497.725   42.549  ?   ?       ?      ? 
1 1 1   23    9   28 o  252.161   43.525   1.4468   0.4957   1.1360   0.5636   2.5083   1.0415  203.905   53.202  300.417   68.901 -96.51135 87.05073 
1 1 1   23    9   30 o  441.782   39.075   4.8370   0.8151   4.3678   0.9581   6.0662   1.5507  407.747   45.704  475.817   63.391 -68.07059 78.14909 
1 1 1   23    9   32 o  308.945   41.872   2.4633   0.5186   2.3745   0.5748   2.8525   1.2033  301.386   37.094  316.503   75.080 -15.11740 83.74393 
1 1 1   23    9   34 o  1167.47   34.184   34.124   1.7656   32.244   2.0108   40.450   3.6895  1110.18   35.229  1224.75   58.593 -114.5702 68.36847 
1 1 1   23    9   36 o  155.222   39.373   0.4892   0.3547   0.3844   0.4077   0.8152   0.7193  130.425   47.237  180.019   63.004 -49.59404 78.74574 
1 1 1   23    9   38 o  402.992   44.573   4.3253   0.9235   4.3253   0.9235   0.0000   0.0000  402.992   44.573  ?   ?       ?      ? 
1 1 1   23    9   40 o  224.832   40.480   1.2398   0.4381   0.9337   0.5153   2.0376   0.8319  183.030   52.207  266.633   61.878 -83.60284 80.95938 
1 1 1   23    9   42 o  395.168   45.761   4.8932   0.7964   5.6829   0.9763   3.3226   1.3768  461.205   41.173  329.132   81.737 132.0721 91.52146 
1 1 1   23    9   44 o  298.375   43.734   3.0670   0.6791   4.2821   0.8514   0.9413   1.1261  398.935   41.510  197.816   76.990 201.1185 87.46787 
1 1 1   23    9   46 f  377.324   40.780   3.8049   0.7532   3.2959   0.9128   4.8913   1.3335  343.753   51.647  410.896   63.123 -67.14224 81.55962 
1 1 1   23    9   48 f  357.141   41.826   3.6409   0.6997   3.4480   0.8459   4.0589   1.2451  351.972   46.748  362.310   69.370 -10.33893 83.65102 
1 1 1   23    9   50 o  162.471   36.307   0.7649   0.3205   0.7875   0.3750   0.7034   0.6173  165.014   43.561  159.927   58.096 5.087311 72.61335 
1 1 1   23   10    1 o  1325.83   34.488   45.381   2.3463   46.635   3.4445   44.295   3.2048  1342.71   49.897  1308.95   47.622 33.76477 68.97520 
1 1 1   23   10    3 o  1326.04   41.478   45.688   2.5241   45.387   4.8020   45.803   2.9670  1320.41   70.737  1331.67   43.337 -11.25732 82.95649 
1 1 1   23   10    5 f  1616.15   43.224   66.263   3.5245   75.591   5.6789   60.420   4.4949  1705.63   64.760  1526.67   57.267 178.9663 86.44881 
1 1 1   23   10    7 o  1686.81   39.308   72.277   3.1629   77.679   5.7407   69.922   3.7901  1728.76   64.589  1644.86   44.818 83.89636 78.61528 
1 1 1   23   10    9 o  484.110   33.415   6.0488   0.8293   6.2372   1.2269   5.8904   1.1254  490.947   48.608  477.273   45.864 13.67313 66.83006 
1 1 1   23   10   11 o  1549.65   31.819   62.076   2.5343   64.193   3.6272   60.057   3.5425  1575.50   44.780  1523.80   45.218 51.69275 63.63899 
1 1 1   23   10   13 o  1868.43   42.527   91.294   3.5697   91.870   4.1506   89.658   6.9963  1885.01   42.828  1851.85   73.484 33.15698 85.05388 
1 1 1   23   10   15 f  1014.25   44.288   28.268   1.9352   29.658   2.2334   24.080   3.8763  1071.02   40.560  957.480   78.744 113.5430 88.57611 
1 1 1   23   10   17 o  927.732   40.516   21.814   1.6607   21.253   1.9002   23.628   3.4172  906.190   40.787  949.273   70.018 -43.08289 81.03144 
1 1 1   23   10   19 o  250.365   48.091   1.5623   0.5245   1.4986   0.5781   1.8588   1.2467  235.795   49.277  264.935   82.600 -29.13947 96.18167 
1 1 1   23   10   21 o  550.552   45.481   8.6881   1.0655   9.4031   1.2373   6.6361   2.0961  602.150   39.968  498.954   81.712 103.1960 90.96292 
1 1 1   23   10   23 o  249.660   47.041   1.5011   0.6205   0.8963   0.7724   2.6021   1.0421  191.314   65.370  308.005   67.661 -116.6906 94.08104 
1 1 1   23   10   25 o  644.786   59.298   10.964   1.9657   10.964   1.9657   0.0000   0.0000  644.786   59.298  ?   ?       ?      ? 
1 1 1   23   10   27 o  953.434   34.609   21.735   1.4115   20.206   1.5786   27.829   3.1522  882.014   34.813  1024.85   59.825 -142.8397 69.21700 
1 1 1   23   10   29 o  477.022   40.986   6.0583   0.8890   6.0738   1.0410   6.0166   1.7087  481.837   42.021  472.207   70.383 9.629791 81.97299 
1 1 1   23   10   31 o  707.583   37.377   13.493   1.1201   13.661   1.2721   12.913   2.3623  724.067   34.173  691.099   66.486 32.96838 74.75443 
1 1 1   23   10   33 o  125.765   32.710   0.3598   0.2555   0.4433   0.2836   0.0000   0.5886  129.469   39.223  122.061   52.357 7.407188 65.41978 
1 1 1   23   10   35 o  678.859   36.907   12.276   1.0768   12.217   1.2254   12.478   2.2565  682.922   34.900  674.796   65.043 8.125793 73.81449 
1 1 1   23   10   37 o  175.001   48.742   0.8449   0.4548   0.8449   0.4548   0.0000   0.0000  175.001   48.742  ?   ?       ?      ? 
1 1 1   23   10   39 o  271.211   50.433   2.1559   0.7127   2.2539   0.9760   2.0440   1.0433  278.551   68.606  263.870   73.939 14.68130 100.8655 
1 1 1   23   10   41 o  331.477   42.011   3.2102   0.6475   3.4660   0.7984   2.7184   1.1070  359.904   43.147  303.049   72.098 56.85541 84.02275 
1 1 1   23   10   43 o  297.720   40.308   2.5048   0.5038   2.5052   0.5720   2.5036   1.0645  307.071   36.230  288.370   72.017 18.70135 80.61618 
1 1 1   23   10   45 o  222.681   33.069   0.7749   0.3439   0.3020   0.3799   2.9213   0.8095  119.457   45.168  325.904   48.313 -206.4468 66.13853 
1 1 1   23   10   47 o  151.302   35.474   0.6207   0.3626   0.9487   0.4482   0.0000   0.6167  181.667   47.468  120.938   52.729 60.72889 70.94702 
1 1 1   23   10   49 o  304.657   44.625   2.8356   0.6523   2.8596   0.8019   2.7886   1.1217  317.695   49.095  291.618   74.534 26.07709 89.25077 
1 1 1   23   11    0 o  668.815   50.602   11.732   1.7171   0.0000   0.0000   11.732   1.7171  668.815   50.602  668.815   50.602 -0.000000 0.000000 
1 1 1   23   11    2 o  1412.68   32.949   51.320   2.3745   53.673   3.6224   49.548   3.1442  1440.52   48.912  1384.85   44.161 55.66760 65.89803 
1 1 1   23   11    4 o  151.072   37.169   0.4560   0.3027   0.7153   0.6586   0.3865   0.3409  174.606   60.333  127.537   43.428 47.06971 74.33733 
1 1 1   23   11    6 o  308.087   45.874   2.7005   0.6513   2.0611   1.2113   2.9606   0.7725  277.711   80.292  338.464   44.393 -60.75244 91.74721 
1 1 1   23   11    8 o  500.527   53.873   6.7202   1.3308   7.2716   1.7831   6.0268   1.9995  528.617   65.608  472.437   85.468 56.17926 107.7456 
1 1 1   23   11   10 o  845.595   42.688   17.593   1.7064   16.215   2.0122   21.122   3.2196  791.287   49.462  899.904   69.588 -108.6174 85.37554 
1 1 1   23   11   12 o  417.293   40.573   3.8838   0.7912   3.0980   0.9146   6.2200   1.5770  345.712   51.459  488.874   62.743 -143.1623 81.14614 
1 1 1   23   11   14 o  340.791   49.856   3.2459   0.7113   3.3668   0.8018   2.7992   1.5411  360.731   43.233  320.851   89.851 39.88031 99.71135 
1 1 1   23   11   16 o  273.348   47.470   1.7733   0.5536   1.6024   0.6152   2.5015   1.2696  243.990   50.700  302.705   80.270 -58.71480 94.94077 
1 1 1   23   11   18 o  1253.65   40.706   40.309   2.2504   39.647   2.5784   42.425   4.6103  1237.20   40.536  1270.09   70.604 -32.89319 81.41278 
1 1 1   23   11   20 f  333.788   44.386   2.9455   0.5680   2.9274   0.6242   3.0324   1.3702  336.286   36.104  331.289   81.098 4.997131 88.77161 
1 1 1   23   11   22 o  427.785   43.437   4.8774   0.7972   4.8765   0.9198   4.8801   1.5984  433.273   41.292  422.297   76.434 10.97638 86.87457 
1 1 1   23   11   24 o  237.309   38.629   1.4630   0.4713   1.4630   0.4713   0.0000   0.0000  237.309   38.629  ?   ?       ?      ? 
1 1 1   23   11   26 o  435.907   39.867   4.3992   0.8007   3.7342   0.9192   6.4900   1.6299  377.663   47.343  494.151   64.157 -116.4876 79.73363 
1 1 1   23   11   28 o  188.396   40.096   0.8633   0.3515   0.8155   0.3894   1.0738   0.8175  173.214   43.718  203.579   67.227 -30.36473 80.19191 
1 1 1   23   11   30 o  755.058   37.629   14.337   1.3456   13.213   1.5901   17.174   2.5253  709.434   43.595  800.682   61.345 -91.24811 75.25804 
1 1 1   23   11   32 o  510.047   41.647   7.3819   0.8572   7.6691   0.9656   6.3140   1.8618  541.989   34.652  478.105   75.744 63.88391 83.29471 
1 1 1   23   11   34 f  665.315   36.893   11.405   1.0552   11.053   1.1931   12.668   2.2606  649.563   35.726  681.068   64.560 -31.50470 73.78604 
1 1 1   23   11   36 o  101.608   43.521   0.0000   0.4057   0.0000   0.4057   0.0000   0.0000  101.608   43.521  ?   ?       ?      ? 
1 1 1   23   11   38 o  433.578   39.135   4.8363   0.8189   4.3605   0.9812   5.9284   1.4865  403.499   47.300  463.656   62.360 -60.15759 78.26929 
1 1 1   23   11   40 o  312.891   43.925   2.6284   0.6456   2.3077   0.7783   3.3359   1.1560  286.697   54.798  339.084   68.665 -52.38699 87.85060 
1 1 1   23   11   42 o  583.887   36.841   8.9997   0.9483   8.6834   1.0846   10.026   1.9541  571.867   36.889  595.907   63.783 -24.04028 73.68234 
1 1 1   23   11   44 f  204.163   39.115   1.1354   0.3662   1.0922   0.4123   1.2967   0.7969  197.929   41.828  210.396   66.109 -12.46774 78.22990 
1 1 1   23   11   46 o  321.770   40.653   2.7149   0.6297   2.1054   0.7618   4.0290   1.1186  268.045   57.035  375.495   57.945 -107.4498 81.30537 
1 1 1   23   11   48 o  115.067   39.005   0.3431   0.2750   0.3431   0.2750   0.0000   0.0000  115.067   39.005  ?   ?       ?      ? 
1 1 1   23   12    1 o  725.347   37.571   12.032   1.1699   10.902   1.3047   16.666   2.6432  649.911   39.047  800.782   64.201 -150.8710 75.14273 
1 1 1   23   12    3 o  381.746   54.938   3.8848   1.0598   3.0362   1.4704   4.8019   1.5287  334.073   85.311  429.420   69.243 -95.34616 109.8753 
1 1 1   23   12    5 o  154.583   47.724   0.6162   0.4174   0.6162   0.4174   0.0000   0.0000  154.583   47.724  ?   ?       ?      ? 
1 1 1   23   12    7 o  1402.31   42.723   50.964   2.6878   50.832   3.1158   51.350   5.3142  1402.38   43.214  1402.25   73.714 0.1281738 85.44692 
1 1 1   23   12    9 o  1243.60   43.444   38.842   2.5688   36.768   3.0571   43.826   4.7382  1191.44   49.908  1295.76   71.124 -104.3219 86.88738 
1 1 1   23   12   11 f  388.309   48.930   4.3440   0.7035   4.5216   0.7748   3.5104   1.6787  418.538   36.006  358.080   90.996 60.45779 97.86028 
1 1 1   23   12   13 o  619.230   40.146   9.4783   0.9795   9.2195   1.0746   10.749   2.3813  597.602   34.975  640.857   72.274 -43.25543 80.29208 
1 1 1   23   12   15 o  845.262   41.145   17.473   1.5388   16.466   1.7501   20.904   3.2302  797.468   42.685  893.056   70.352 -95.58807 82.28913 
1 1 1   23   12   17 o  653.242   43.943   11.699   1.0592   11.956   1.1580   10.385   2.6210  680.281   33.109  626.202   81.412 54.07916 87.88683 
1 1 1   23   12   19 o  864.079   40.018   18.710   1.5420   17.941   1.7667   21.168   3.1593  831.710   41.315  896.449   68.548 -64.73907 80.03609 
1 1 1   23   12   21 o  697.396   40.653   12.627   1.4576   12.627   1.4576   0.0000   0.0000  697.396   40.653  ?   ?       ?      ? 
1 1 1   23   12   23 o  784.616   33.807   15.950   1.3638   15.950   1.3638   0.0000   0.0000  784.616   33.807  ?   ?       ?      ? 
1 1 1   23   12   25 o  501.597   37.868   5.7288   0.7622   5.2635   0.8326   8.1393   1.8949  450.187   35.972  553.008   66.647 -102.8207 75.73503 
1 1 1   23   12   27 o  691.556   37.940   12.393   1.0798   12.242   1.2057   13.007   2.4269  686.391   34.166  696.721   67.753 -10.32983 75.88016 
1 1 1   23   12   29 o  601.388   38.532   9.3209   0.9546   9.1401   1.0648   10.062   2.1551  592.414   34.959  610.361   68.678 -17.94641 77.06406 
1 1 1   23   12   31 o  188.522   40.322   0.9906   0.3549   1.0582   0.3823   0.5677   0.9557  197.743   38.989  179.302   70.592 18.44118 80.64381 
1 1 1   23   12   33 o  712.394   39.123   13.479   1.3274   13.245   1.5970   14.001   2.3874  708.086   43.868  716.702   64.792 -8.615662 78.24590 
1 1 1   23   12   35 o  387.388   51.834   4.2662   0.9906   3.9293   1.3287   4.6878   1.4864  370.386   72.369  404.390   74.227 -34.00357 103.6671 
1 1 1   23   12   37 o  290.542   45.797   2.4766   0.6229   2.6240   0.7355   2.1027   1.1716  313.629   45.615  267.455   79.428 46.17389 91.59494 
1 1 1   23   12   39 o  429.425   38.286   4.7429   0.7939   4.2576   0.9511   5.8572   1.4413  398.405   46.435  460.444   60.885 -62.03915 76.57137 
1 1 1   23   12   41 o  313.760   44.408   3.4684   0.6020   4.0828   0.6928   1.5741   1.2166  393.254   34.267  234.266   81.940 158.9875 88.81682 
1 1 1   23   12   43 o  367.794   33.988   2.9617   0.5654   2.2423   0.6398   5.5241   1.2075  288.237   43.177  447.352   52.502 -159.1150 67.97614 
1 1 1   23   12   45 o  201.299   40.483   1.2009   0.3977   1.2530   0.4480   1.0073   0.8634  211.521   42.668  191.077   68.811 20.44395 80.96626 
1 1 1   23   12   47 o  185.051   52.117   0.9998   0.5170   0.9998   0.5170   0.0000   0.0000  185.051   52.117  ?   ?       ?      ? 
1 1 1   23   12   49 o  182.718   37.811   0.7058   0.3681   0.3263   0.4274   1.7976   0.7248  123.143   47.568  242.294   58.787 -119.1510 75.62148 
1 1 1   23   13    0 o  420.569   95.080   5.2293   1.7932   5.2293   1.7932   0.0000   0.0000  420.569   95.080  420.569   95.080 0.000000 0.000000 
1 1 1   23   13    2 o  377.796   47.789   4.0786   0.6928   4.2550   0.7703   3.3325   1.5842  406.062   36.900  349.531   88.167 56.53107 95.57703 
1 1 1   23   13    4 o  1338.88   41.757   45.944   2.5519   45.247   2.9773   47.872   4.9538  1323.03   43.771  1354.72   71.124 -31.69067 83.51372 
1 1 1   23   13    6 o  1103.97   41.452   30.412   2.0863   29.061   2.4166   34.365   4.1339  1060.14   44.338  1147.81   70.053 -87.67371 82.90489 
1 1 1   23   13    8 f  654.352   45.140   11.312   1.2869   11.467   1.4773   10.824   2.6205  665.991   43.144  642.712   79.304 23.27936 90.27994 
1 1 1   23   13   10 o  627.938   39.889   9.5307   1.0302   9.0958   1.1406   11.457   2.4001  593.517   37.380  662.359   70.479 -68.84149 79.77808 
1 1 1   23   13   12 o  679.708   40.029   11.563   1.0826   11.313   1.1925   12.732   2.5811  661.970   35.039  697.446   71.983 -35.47583 80.05837 
1 1 1   23   13   14 o  253.990   43.130   1.6165   0.4272   1.5855   0.4613   1.8032   1.1328  247.705   36.222  260.275   78.287 -12.57008 86.26025 
1 1 1   23   13   16 o  1468.12   39.953   53.307   2.6332   50.482   3.0197   62.274   5.3799  1395.79   42.080  1540.46   67.929 -144.6746 79.90697 
1 1 1   23   13   18 o  331.864   51.110   3.0910   0.6667   3.1709   0.7305   2.6931   1.6304  349.720   40.630  314.009   93.799 35.71143 102.2203 
1 1 1   23   13   20 o  178.522   56.923   0.8202   0.5890   0.8202   0.5890   0.0000   0.0000  178.522   56.923  ?   ?       ?      ? 
1 1 1   23   13   22 o  619.833   35.096   8.5759   0.9124   7.6631   1.0070   12.759   2.1557  543.617   36.031  696.050   60.239 -152.4329 70.19270 
1 1 1   23   13   24 o  748.160   38.790   14.615   1.1742   14.548   1.3061   14.899   2.6809  748.961   33.919  747.360   69.773 1.601013 77.58076 
1 1 1   23   13   26 o  301.897   45.862   2.4098   0.6312   2.3342   0.7346   2.6232   1.2339  298.291   47.902  305.502   78.222 -7.210876 91.72405 
1 1 1   23   13   28 o  315.963   43.420   2.4440   0.5245   2.3097   0.5712   3.1660   1.3243  297.608   37.333  334.318   78.404 -36.71033 86.83903 
1 1 1   23   13   30 o  319.503   51.214   2.9139   0.8198   3.1529   1.1016   2.6174   1.2271  336.431   66.048  302.574   78.288 33.85660 102.4270 
1 1 1   23   13   32 o  1011.10   38.063   26.157   1.8219   24.437   2.1579   30.427   3.3998  962.415   43.611  1059.79   62.397 -97.37244 76.12673 
1 1 1   23   13   34 o  551.663   47.221   8.3484   1.3323   8.1323   1.7864   8.6192   1.9999  545.264   63.725  558.062   69.702 -12.79742 94.44234 
1 1 1   23   13   36 o  124.657   41.102   0.3957   0.3056   0.3957   0.3056   0.0000   0.0000  124.657   41.102  ?   ?       ?      ? 
1 1 1   23   13   38 o  189.217   37.437   0.7655   0.3299   0.5557   0.3708   1.5619   0.7224  144.307   45.054  234.128   59.801 -89.82106 74.87304 
1 1 1   23   13   40 o  731.797   38.674   14.196   1.3551   13.397   1.6247   16.022   2.4561  706.559   44.725  757.034   63.106 -50.47534 77.34765 
1 1 1   23   13   42 o  306.265   39.765   2.4905   0.5239   2.3499   0.5970   2.9623   1.0934  296.616   39.145  315.914   69.229 -19.29813 79.53016 
1 1 1   23   13   44 o  266.538   37.767   1.9037   0.5175   1.9037   0.5175   0.0000   0.0000  266.538   37.767  ?   ?       ?      ? 
1 1 1   23   13   46 f  158.976   58.798   0.6387   0.6366   0.6387   0.6366   0.0000   0.0000  158.976   58.798  ?   ?       ?      ? 
1 1 1   23   13   48 o  287.975   40.160   2.2536   0.4995   2.0744   0.5671   2.8742   1.0552  274.991   40.111  300.958   69.588 -25.96640 80.32050 
1 1 1   23   14    1 o  628.768   53.183   10.375   1.7076   8.9894   2.4111   11.770   2.4187  585.771   80.060  671.764   70.031 -85.99377 106.3668 
1 1 1   23   14    3 o  1075.33   42.738   30.052   2.0718   30.053   2.4095   30.050   4.0582  1078.18   43.467  1072.49   73.599 5.691284 85.47648 
1 1 1   23   14    5 o  1488.63   43.267   57.292   3.3114   57.292   3.3114   0.0000   0.0000  1488.63   43.267  ?   ?       ?      ? 
1 1 1   23   14    7 o  1763.10   43.671   82.037   3.4175   83.247   3.9582   78.496   6.7737  1794.38   42.905  1731.82   76.077 62.56409 87.34141 
1 1 1   23   14    9 o  345.541   45.092   2.6837   0.7279   1.9811   0.8505   4.6083   1.4075  270.589   62.407  420.493   65.105 -149.9036 90.18501 
1 1 1   23   14   11 o  383.303   50.340   4.4474   0.7177   4.7356   0.7923   3.1288   1.6946  428.217   35.987  338.390   94.028 89.82684 100.6791 
1 1 1   23   14   13 o  415.668   45.686   4.5130   0.6879   4.4768   0.7489   4.7079   1.7397  416.297   34.991  415.039   84.406 1.257751 91.37184 
1 1 1   23   14   15 o  313.507   48.397   2.2910   0.5165   2.1926   0.5467   3.1094   1.5767  291.176   36.517  335.838   89.642 -44.66141 96.79432 
1 1 1   23   14   17 f  998.575   41.515   25.334   1.7856   24.726   2.0213   27.495   3.8100  976.685   40.254  1020.46   72.620 -43.77905 83.03040 
1 1 1   23   14   19 o  933.852   40.819   22.636   1.9598   22.636   1.9598   0.0000   0.0000  933.852   40.819  ?   ?       ?      ? 
1 1 1   23   14   21 o  381.388   38.365   2.9938   0.5717   2.6298   0.6165   5.2275   1.5274  318.356   37.667  444.420   66.849 -126.0636 76.73088 
1 1 1   23   14   23 o  570.910   39.284   8.1702   0.8924   7.9450   0.9823   9.2339   2.1349  553.452   34.521  588.368   70.578 -34.91547 78.56788 
1 1 1   23   14   25 o  427.729   38.563   4.4600   0.6752   4.2391   0.7464   5.4554   1.5844  403.826   35.950  451.633   68.234 -47.80667 77.12519 
1 1 1   23   14   27 o  634.474   41.416   10.341   1.1937   9.9433   1.3832   11.501   2.3625  616.073   43.669  652.875   70.384 -36.80231 82.83111 
1 1 1   23   14   29 o  388.356   44.375   3.8146   0.7682   3.4889   0.8875   4.7874   1.5337  363.683   47.468  413.029   74.989 -49.34662 88.74959 
1 1 1   23   14   31 o  338.641   44.106   3.0855   0.6910   2.9827   0.8250   3.3271   1.2649  335.544   47.820  341.738   74.126 -6.194855 88.21262 
1 1 1   23   14   33 o  216.837   42.693   1.4502   0.4895   1.7062   0.5595   0.6145   1.0109  250.258   45.143  183.416   72.478 66.84167 85.38673 
1 1 1   23   14   35 o  186.131   42.019   0.9519   0.3926   0.9519   0.3926   0.0000   0.0000  186.131   42.019  ?   ?       ?      ? 
1 1 1   23   14   37 o  179.496   43.483   0.6737   0.4132   0.5171   0.4646   1.2668   0.9041  145.008   50.641  213.983   70.700 -68.97537 86.96581 
1 1 1   23   14   39 o  446.520   46.018   6.0647   0.7959   6.4037   0.9018   4.8697   1.6931  492.554   35.610  400.484   84.868 92.06985 92.03627 
1 1 1   23   14   41 o  253.870   41.248   2.2991   0.5084   2.7422   0.5732   0.6659   1.1004  321.955   34.629  185.785   74.877 136.1702 82.49678 
1 1 1   23   14   43 o  365.097   46.200   4.3278   0.6787   4.7145   0.7765   3.0757   1.3973  420.647   35.905  309.547   85.138 111.1008 92.39973 
1 1 1   23   14   45 o  659.453   40.014   11.827   1.2684   10.889   1.5213   13.967   2.2975  628.154   47.105  690.752   64.695 -62.59729 80.02718 
1 1 1   23   14   47 o  308.073   45.259   2.8659   0.6582   2.8591   0.7946   2.8810   1.1747  319.121   48.433  297.026   76.470 22.09445 90.51727 
1 1 1   23   15    0 o  972.367   75.176   24.945   3.7066   24.945   3.7066   0.0000   0.0000  972.367   75.176  972.367   75.176 0.000000 0.000000 
1 1 1   23   15    2 o  796.637   52.858   16.618   2.1372   13.340   2.9582   20.197   3.0911  713.217   80.675  880.057   68.318 -166.8400 105.7158 
1 1 1   23   15    4 o  878.057   44.648   20.823   1.7282   21.613   2.0080   18.567   3.3938  914.327   42.716  841.786   78.417 72.54089 89.29664 
1 1 1   23   15    6 o  346.110   45.019   3.0994   0.8011   3.0994   0.8011   0.0000   0.0000  346.110   45.019  ?   ?       ?      ? 
1 1 1   23   15    8 f  1179.62   43.570   36.447   2.2766   36.664   2.6282   35.796   4.5561  1190.54   42.939  1168.70   75.827 21.84375 87.14069 
1 1 1   23   15   10 o  1019.57   40.580   25.942   1.6949   25.250   1.8817   28.919   3.9009  988.576   37.024  1050.56   72.223 -61.98920 81.15967 
1 1 1   23   15   12 o  961.426   43.225   24.874   1.5749   25.258   1.7290   23.002   3.8164  988.902   34.007  933.950   79.481 54.95142 86.45053 
1 1 1   23   15   14 o  909.129   44.071   22.214   1.6692   22.663   1.8865   20.595   3.5819  935.666   39.216  882.593   78.938 53.07355 88.14301 
1 1 1   23   15   16 o  609.552   58.203   9.7180   1.8240   9.7180   1.8240   0.0000   0.0000  609.552   58.203  ?   ?       ?      ? 
1 1 1   23   15   18 o  177.391   40.977   0.8491   0.3662   0.8491   0.3662   0.0000   0.0000  177.391   40.977  ?   ?       ?      ? 
1 1 1   23   15   20 o  1363.81   40.642   46.744   2.4565   44.805   2.8063   53.100   5.0805  1312.80   41.578  1414.82   69.845 -102.0144 81.28426 
1 1 1   23   15   22 o  399.256   42.677   3.7585   0.6364   3.5224   0.6903   5.0975   1.6442  368.357   36.448  430.154   77.181 -61.79709 85.35373 
1 1 1   23   15   24 o  1248.72   40.278   40.449   2.2765   39.639   2.6428   42.779   4.4816  1232.69   41.701  1264.74   68.923 -32.05042 80.55634 
1 1 1   23   15   26 o  525.401   50.140   8.1665   1.0850   8.8369   1.2639   6.2878   2.1157  581.255   42.292  469.547   90.926 111.7069 100.2808 
1 1 1   23   15   28 o  515.537   41.365   6.7634   0.9784   6.3824   1.1364   7.8556   1.9239  492.727   44.858  538.348   69.512 -45.62042 82.72939 
1 1 1   23   15   30 f  163.525   39.966   0.6952   0.3983   0.8688   0.4453   0.0000   0.8910  178.135   47.677  148.915   64.156 29.22006 79.93166 
1 1 1   23   15   32 o  606.014   40.164   9.4162   1.1215   8.8520   1.3055   11.005   2.1910  578.617   43.887  633.411   67.280 -54.79382 80.32815 
1 1 1   23   15   34 o  621.390   35.254   10.131   1.1263   10.131   1.1263   0.0000   0.0000  621.390   35.254  ?   ?       ?      ? 
1 1 1   23   15   36 o  461.548   37.401   5.3538   0.7359   5.0528   0.8253   6.5230   1.6264  437.971   36.651  485.125   65.208 -47.15451 74.80191 
1 1 1   23   15   38 o  228.284   43.540   1.3598   0.4179   1.3069   0.4551   1.6451   1.0558  218.203   42.090  238.364   76.234 -20.16144 87.08097 
1 1 1   23   15   40 f  440.270   49.428   5.9963   0.9206   6.4911   1.0846   4.7213   1.7410  492.089   42.869  388.450   89.076 103.6394 98.85500 
1 1 1   23   15   42 o  267.994   41.341   2.1968   0.4924   2.3464   0.5656   1.7286   1.0007  296.662   37.080  239.327   73.901 57.33556 82.68222 
1 1 1   23   15   44 o  293.783   45.231   2.5659   0.6148   2.5978   0.7237   2.4833   1.1651  307.908   45.718  279.658   78.059 28.24957 90.46186 
1 1 1   23   15   46 o  298.880   45.860   3.1438   0.6911   3.9632   0.8425   1.4579   1.2084  379.729   43.152  218.030   80.935 161.6993 91.72002 
1 1 1   23   15   48 o  181.950   40.201   0.9113   0.3584   0.8605   0.3999   1.1187   0.8082  172.280   44.748  191.620   66.799 -19.34048 80.40221 
1 1 1   23   16    1 o  1325.54   52.053   45.955   3.5471   46.367   5.0030   45.538   5.0299  1331.69   73.073  1319.40   74.151 12.29102 104.1063 
1 1 1   23   16    3 o  199.589   43.921   0.8212   0.4293   0.6342   0.4827   1.5299   0.9395  159.025   51.614  240.152   71.080 -81.12741 87.84295 
1 1 1   23   16    5 o  587.443   40.123   8.1413   1.0922   7.1994   1.2629   10.936   2.1755  527.285   46.586  647.601   65.339 -120.3161 80.24608 
1 1 1   23   16    7 o  541.005   42.993   7.5018   1.0447   7.3761   1.2078   7.8751   2.0819  533.827   44.009  548.183   73.871 -14.35638 85.98637 
1 1 1   23   16    9 o  1634.09   50.332   69.788   4.2047   68.221   5.6279   71.767   6.3258  1614.85   67.787  1653.34   74.419 -38.48975 100.6643 
1 1 1   23   16   11 o  883.485   40.813   18.684   1.5887   17.284   1.7977   23.678   3.3951  816.829   42.808  950.140   69.502 -133.3112 81.62694 
1 1 1   23   16   13 o  1298.22   41.107   42.266   2.2893   40.911   2.5823   47.238   4.9483  1256.88   39.962  1339.56   71.849 -82.68347 82.21463 
1 1 1   23   16   15 o  1042.38   39.728   28.161   2.1291   28.161   2.1291   0.0000   0.0000  1042.38   39.728  ?   ?       ?      ? 
1 1 1   23   16   17 o  586.782   42.079   8.2322   1.0915   7.5469   1.2355   10.668   2.3292  538.716   44.608  634.847   71.364 -96.13092 84.15845 
1 1 1   23   16   19 o  206.614   46.351   0.8530   0.4357   0.7024   0.4747   1.6574   1.0970  164.182   50.935  249.046   77.455 -84.86404 92.70167 
1 1 1   23   16   21 o  270.232   47.405   1.7100   0.5565   1.4798   0.6220   2.6338   1.2460  233.038   53.100  307.426   78.546 -74.38789 94.81087 
1 1 1   23   16   23 o  257.682   45.561   1.2097   0.5304   0.7213   0.5891   3.3005   1.2189  170.005   57.094  345.360   71.018 -175.3557 91.12237 
1 1 1   23   16   25 o  567.838   42.712   8.4036   1.0818   8.2282   1.2465   8.9388   2.1777  560.760   43.235  574.916   73.675 -14.15613 85.42456 
1 1 1   23   16   27 o  435.401   51.287   5.9534   0.9088   6.6713   1.0567   3.9125   1.7815  504.853   40.710  365.948   94.149 138.9047 102.5731 
1 1 1   23   16   29 o  140.977   38.534   0.3565   0.2623   0.3594   0.2747   0.3262   0.8819  119.210   38.952  162.743   66.499 -43.53310 77.06750 
1 1 1   23   16   31 o  438.536   40.230   4.6372   0.8124   4.0458   0.9349   6.4597   1.6412  390.661   46.548  486.412   65.628 -95.75095 80.46001 
1 1 1   23   16   33 o  176.965   43.157   0.8613   0.3891   0.8613   0.3891   0.0000   0.0000  176.965   43.157  ?   ?       ?      ? 
1 1 1   23   16   35 o  299.597   45.519   2.6230   0.5377   2.6854   0.5910   2.3232   1.2955  319.509   35.979  279.684   83.628 39.82452 91.03880 
1 1 1   23   16   37 o  629.531   44.636   11.479   1.2620   12.154   1.4971   9.8229   2.3461  675.266   43.121  583.795   78.166 91.47076 89.27161 
1 1 1   23   16   39 o  164.540   38.107   0.7799   0.3423   0.9054   0.3688   0.0000   0.9195  180.997   40.631  148.083   64.480 32.91464 76.21375 
1 1 1   23   16   41 o  186.178   40.529   0.9074   0.3598   0.8753   0.3982   1.0503   0.8394  176.800   43.990  195.556   68.083 -18.75578 81.05824 
1 1 1   23   16   43 o  317.314   44.652   3.1597   0.5979   3.3583   0.6835   2.5123   1.2342  354.000   37.555  280.628   81.023 73.37167 89.30341 
1 1 1   23   16   45 o  544.464   36.873   7.9863   1.0322   7.9863   1.0322   0.0000   0.0000  544.464   36.873  ?   ?       ?      ? 
1 1 1   23   16   47 o  171.325   39.430   0.8833   0.4522   1.2629   0.5407   0.0000   0.8248  206.830   51.134  135.820   60.035 71.01051 78.86014 
1 1 1   23   17    0 o  990.341   75.072   25.885   3.7719   0.0000   0.0000   25.885   3.7719  990.341   75.072  990.341   75.072 -0.000000 0.000000 
1 1 1   23   17    2 o  952.451   52.214   23.798   2.5532   24.752   3.5703   22.800   3.6527  972.598   71.400  932.305   76.206 40.29291 104.4287 
1 1 1   23   17    4 o  636.630   44.858   10.495   1.4682   10.495   1.4682   0.0000   0.0000  636.630   44.858  ?   ?       ?      ? 
1 1 1   23   17    6 o  293.220   48.438   2.2298   0.7302   2.2298   0.7302   0.0000   0.0000  293.220   48.438  ?   ?       ?      ? 
1 1 1   23   17    8 f  891.504   45.472   19.757   2.0124   17.142   2.4831   24.760   3.4349  810.820   59.566  972.188   68.722 -161.3674 90.94418 
1 1 1   23   17   10 o  626.955   59.135   10.453   1.7128   5.7499   2.2678   16.697   2.6134  455.004   99.698  798.905   63.626 -343.9004 118.2705 
1 1 1   23   17   12 f  900.298   39.587   20.992   1.8324   20.992   1.8324   0.0000   0.0000  900.298   39.587  ?   ?       ?      ? 
1 1 1   23   17   14 o  595.894   33.826   9.1833   1.0363   9.1833   1.0363   0.0000   0.0000  595.894   33.826  ?   ?       ?      ? 
1 1 1   23   17   16 o  986.108   43.154   25.256   1.8621   24.996   2.1298   26.100   3.8360  980.961   42.230  991.255   75.270 -10.29370 86.30723 
1 1 1   23   17   18 o  723.630   43.174   13.683   1.3815   13.582   1.5893   13.997   2.7945  722.574   42.781  724.687   75.004 -2.112976 86.34735 
1 1 1   23   17   20 o  904.734   48.411   21.576   2.2005   20.897   2.8093   22.653   3.5398  889.412   61.437  920.056   74.832 -30.64410 96.82176 
1 1 1   23   17   22 o  307.474   47.835   2.6488   0.5527   2.6935   0.5980   2.3867   1.4477  321.960   36.129  292.988   88.586 28.97141 95.67033 
1 1 1   23   17   24 o  189.439   40.948   0.9603   0.3633   1.0086   0.3937   0.6836   0.9424  193.022   40.942  185.857   70.927 7.165085 81.89537 
1 1 1   23   17   26 o  895.539   37.489   19.832   1.3756   18.961   1.5231   23.685   3.2041  853.301   34.718  937.777   66.457 -84.47668 74.97891 
1 1 1   23   17   28 o  276.752   43.717   2.1172   0.4904   2.1361   0.5402   2.0283   1.1696  285.890   36.755  267.614   79.333 18.27658 87.43391 
1 1 1   23   17   30 o  201.316   47.508   0.8642   0.5516   0.5152   0.6577   1.6924   1.0132  157.546   59.460  245.086   74.111 -87.53996 95.01508 
1 1 1   23   17   32 f  735.062   34.722   14.156   1.3122   14.156   1.3122   0.0000   0.0000  735.062   34.722  ?   ?       ?      ? 
1 1 1   23   17   34 o  196.790   35.279   0.6447   0.3039   0.3730   0.3322   2.0365   0.7519  123.894   42.849  269.685   56.056 -145.7916 70.55715 
1 1 1   23   17   36 o  243.360   41.947   2.0133   0.4782   2.2989   0.5273   0.6895   1.1350  295.628   34.692  191.092   76.386 104.5352 83.89484 
1 1 1   23   17   38 o  277.393   43.530   2.1996   0.5129   2.2226   0.5750   2.1100   1.1351  289.392   38.646  265.394   78.013 23.99716 87.06093 
1 1 1   23   17   40 o  336.917   44.149   2.9722   0.6662   2.6624   0.7694   3.8995   1.3311  313.032   47.810  360.801   74.235 -47.76862 88.29888 
1 1 1   23   17   42 o  273.147   46.082   2.1651   0.5074   2.1623   0.5525   2.1801   1.2828  284.215   37.812  262.080   84.050 22.13501 92.16328 
1 1 1   23   17   44 o  243.054   39.675   1.5993   0.4958   1.5993   0.4958   0.0000   0.0000  243.054   39.675  ?   ?       ?      ? 
1 1 1   23   17   46 o  151.651   37.736   0.3965   0.3081   0.2218   0.3421   1.1458   0.7085  108.348   42.363  194.954   62.460 -86.60668 75.47104 
1 1 1   23   18    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18    3 o  368.827   74.758   3.6957   1.3690   3.6957   1.3690   0.0000   0.0000  368.827   74.758  ?   ?       ?      ? 
1 1 1   23   18    5 o  277.710   61.859   2.0905   0.8606   2.0905   0.8606   0.0000   0.0000  277.710   61.859  ?   ?       ?      ? 
1 1 1   23   18    7 o  776.356   55.970   15.701   2.2340   15.701   2.2340   0.0000   0.0000  776.356   55.970  ?   ?       ?      ? 
1 1 1   23   18    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   11 o  938.336   34.103   22.765   1.6452   22.765   1.6452   0.0000   0.0000  938.336   34.103  ?   ?       ?      ? 
1 1 1   23   18   13 o  268.098   45.245   1.9548   0.5465   2.0040   0.6200   1.7835   1.1567  277.791   43.414  258.404   79.395 19.38666 90.48930 
1 1 1   23   18   15 o  238.574   45.741   1.5420   0.5100   1.5761   0.5761   1.4184   1.0963  241.839   48.030  235.308   77.859 6.530334 91.48180 
1 1 1   23   18   17 o  198.881   43.152   0.8701   0.4035   0.7410   0.4484   1.4198   0.9253  166.989   49.017  230.773   71.032 -63.78345 86.30302 
1 1 1   23   18   19 o  392.664   49.869   4.5480   0.7975   4.8514   0.9089   3.5328   1.6626  431.772   40.942  353.556   90.947 78.21564 99.73797 
1 1 1   23   18   21 o  870.161   46.059   22.031   1.4616   22.987   1.6057   17.412   3.5300  941.353   33.177  798.969   85.935 142.3846 92.11712 
1 1 1   23   18   23 o  360.135   44.958   3.5128   0.6126   3.5094   0.6739   3.5294   1.4709  367.299   35.686  352.971   82.531 14.32770 89.91580 
1 1 1   23   18   25 o  257.788   44.419   2.2291   0.5113   2.5102   0.5565   0.7080   1.2946  310.481   34.864  205.094   81.712 105.3869 88.83849 
1 1 1   23   18   27 o  317.749   44.888   2.6195   0.6522   2.4251   0.7630   3.1465   1.2564  302.760   49.019  332.738   75.212 -29.97845 89.77570 
1 1 1   23   18   29 o  372.259   50.980   5.0003   0.8384   6.1889   0.9798   1.7525   1.6197  485.527   39.253  258.991   94.102 226.5362 101.9605 
1 1 1   23   18   31 o  147.943   43.260   0.5906   0.3498   0.5906   0.3498   0.0000   0.0000  147.943   43.260  ?   ?       ?      ? 
1 1 1   23   18   33 o  374.534   45.799   4.1778   0.6753   4.3648   0.7606   3.4820   1.4671  407.442   36.311  341.625   84.094 65.81689 91.59853 
1 1 1   23   18   35 o  559.713   38.503   8.3328   0.9107   8.2022   1.0274   8.8119   1.9675  558.130   35.803  561.296   68.178 -3.166748 77.00689 
1 1 1   23   18   37 o  306.518   47.459   2.5181   0.6558   2.2779   0.7595   3.2219   1.3000  285.164   53.779  327.872   78.213 -42.70807 94.91806 
1 1 1   23   18   39 o  173.865   44.006   0.6480   0.4163   0.5398   0.4640   1.0951   0.9430  145.979   50.628  201.752   71.992 -55.77307 88.01147 
1 1 1   23   18   41 o  589.560   37.785   8.3875   0.9498   7.4957   1.0568   12.135   2.1664  528.992   38.858  650.129   64.814 -121.1370 75.56993 
1 1 1   23   18   43 o  223.212   50.474   1.4328   0.5657   1.4328   0.5657   0.0000   0.0000  223.212   50.474  ?   ?       ?      ? 
1 1 1   23   18   45 o  147.565   37.469   0.5898   0.3291   0.6919   0.3564   0.0000   0.8571  156.044   43.032  139.086   61.352 16.95848 74.93867 
1 1 1   23   18   47 o  142.002   37.529   0.5047   0.3395   0.5389   0.3893   0.3961   0.6936  139.551   46.404  144.454   58.994 -4.903122 75.05746 
1 1 1   23   19    0 o  185.525   90.196   1.3220   1.0094   0.0000   0.0000   1.3220   1.0094  185.525   90.196  185.525   90.196 -0.000000 0.000000 
1 1 1   23   19    2 o  741.421   53.723   14.562   2.0301   16.643   2.8631   12.456   2.8791  796.393   69.926  686.450   81.578 109.9431 107.4462 
1 1 1   23   19    4 o  757.263   45.963   14.978   1.6282   14.929   1.9363   15.098   3.0083  757.982   49.686  756.543   77.342 1.438293 91.92699 
1 1 1   23   19    6 o  897.123   42.119   20.297   1.7458   19.418   2.0397   22.704   3.3757  864.985   45.867  929.261   70.657 -64.27527 84.23840 
1 1 1   23   19    8 o  755.620   43.926   14.814   1.7065   14.814   1.7065   0.0000   0.0000  755.620   43.926  ?   ?       ?      ? 
1 1 1   23   19   10 o  520.749   44.742   6.8809   1.0151   6.6805   1.1537   7.5681   2.1366  507.217   44.241  534.280   77.782 -27.06247 89.48350 
1 1 1   23   19   12 o  331.941   49.247   2.9708   0.6917   2.9809   0.7794   2.9334   1.5008  338.629   44.766  325.253   87.733 13.37640 98.49367 
1 1 1   23   19   14 o  819.906   42.051   16.727   1.5251   15.893   1.7376   19.524   3.1822  781.852   43.228  857.960   72.141 -76.10791 84.10111 
1 1 1   23   19   16 o  805.678   46.665   18.963   1.3565   19.841   1.4878   14.637   3.3027  875.332   33.059  736.023   87.278 139.3090 93.32907 
1 1 1   23   19   18 o  1103.81   41.645   32.003   1.7500   31.945   1.9157   32.299   4.3012  1110.12   33.565  1097.51   76.228 12.61865 83.29031 
1 1 1   23   19   20 o  1545.91   41.061   60.570   2.8031   58.216   3.1996   68.342   5.8134  1494.17   41.651  1597.65   70.775 -103.4893 82.12103 
1 1 1   23   19   22 o  381.371   43.133   3.6200   0.6051   3.4778   0.6570   4.4146   1.5532  365.735   34.942  397.006   78.873 -31.27100 86.26668 
1 1 1   23   19   24 o  520.829   43.172   7.2066   0.8733   7.1857   0.9614   7.3055   2.0886  525.195   35.605  516.462   78.660 8.733093 86.34312 
1 1 1   23   19   26 o  280.219   45.221   2.3003   0.5232   2.4023   0.5775   1.8326   1.2361  303.216   37.043  257.221   82.507 45.99414 90.44123 
1 1 1   23   19   28 o  509.666   40.064   6.0520   0.9233   5.1761   1.0492   9.0570   1.9434  442.366   46.135  576.966   65.515 -134.5996 80.12837 
1 1 1   23   19   30 o  363.265   44.986   3.4974   0.8402   3.4974   0.8402   0.0000   0.0000  363.265   44.986  ?   ?       ?      ? 
1 1 1   23   19   32 o  206.504   38.626   1.2787   0.3827   1.4096   0.4258   0.7287   0.8727  231.660   35.749  181.348   68.482 50.31172 77.25191 
1 1 1   23   19   34 o  400.094   38.053   3.9496   0.6413   3.6824   0.7144   5.0596   1.4560  373.703   37.182  426.484   66.404 -52.78064 76.10529 
1 1 1   23   19   36 o  183.171   40.341   0.8274   0.3542   0.7635   0.3938   1.0979   0.8105  166.092   45.000  200.251   66.968 -34.15846 80.68285 
1 1 1   23   19   38 o  184.603   42.219   0.9145   0.3750   0.9426   0.4046   0.7433   0.9988  183.991   43.465  185.216   72.392 -1.225555 84.43809 
1 1 1   23   19   40 o  164.287   39.747   0.7371   0.3828   0.8390   0.4338   0.3788   0.8131  172.642   47.421  155.932   63.800 16.71021 79.49393 
1 1 1   23   19   42 o  333.938   47.042   3.0644   0.8076   3.0644   0.8076   0.0000   0.0000  333.938   47.042  ?   ?       ?      ? 
1 1 1   23   19   44 o  217.605   45.817   1.1555   0.4125   1.0356   0.4423   1.9542   1.1417  190.077   45.803  245.133   79.366 -55.05621 91.63473 
1 1 1   23   19   46 o  163.805   39.197   0.8117   0.3621   0.9299   0.3876   0.0000   1.0153  180.020   42.548  147.589   65.843 32.43021 78.39388 
1 1 1   23   20    1 o  927.446   53.983   22.960   2.5291   27.693   3.5717   18.201   3.5816  1027.02   67.644  827.874   84.149 199.1442 107.9666 
1 1 1   23   20    3 o  504.099   54.626   6.7097   1.4148   6.5039   1.9584   6.9344   2.0462  496.105   76.783  512.093   77.720 -15.98758 109.2517 
1 1 1   23   20    5 f  468.996   58.510   5.9816   1.3350   3.4681   1.8114   8.9698   1.9751  353.443   96.824  584.550   65.719 -231.1064 117.0206 
1 1 1   23   20    7 o  416.912   59.121   5.0016   1.2453   7.3101   1.7224   2.4736   1.8025  527.837   63.471  305.987   99.764 221.8495 118.2427 
1 1 1   23   20    9 o  1005.17   52.478   26.910   2.6902   28.376   3.6500   25.167   3.9803  1037.51   68.428  972.820   79.583 64.69385 104.9563 
1 1 1   23   20   11 o  898.420   41.858   20.544   1.4279   20.244   1.5569   22.130   3.5836  884.403   34.240  912.437   76.393 -28.03369 83.71516 
1 1 1   23   20   13 o  797.560   45.697   17.905   1.3342   18.450   1.4604   15.154   3.2806  844.183   33.649  750.938   84.974 93.24548 91.39352 
1 1 1   23   20   15 o  667.325   44.227   11.781   1.2429   11.802   1.4042   11.701   2.6711  673.808   40.535  660.841   78.619 12.96771 88.45389 
1 1 1   23   20   17 o  278.068   47.479   2.4259   0.6364   2.8139   0.7257   1.1330   1.3247  328.573   42.957  227.562   84.687 101.0107 94.95866 
1 1 1   23   20   19 o  528.659   42.779   6.7845   0.9873   6.2817   1.1134   8.6353   2.1360  490.342   44.165  566.976   73.277 -76.63367 85.55762 
1 1 1   23   20   21 o  190.530   41.402   0.9478   0.3594   0.9787   0.3872   0.7560   0.9650  190.113   40.832  190.946   72.036 -0.8328247 82.80373 
1 1 1   23   20   23 o  429.487   45.273   5.0525   0.7119   5.0732   0.7807   4.9507   1.7353  441.493   34.393  417.481   83.759 24.01181 90.54567 
1 1 1   23   20   25 o  164.623   40.273   0.6555   0.3229   0.6922   0.3436   0.3780   0.9449  159.536   41.500  169.710   69.031 -10.17419 80.54572 
1 1 1   23   20   27 f  613.849   48.095   10.013   1.4898   8.9209   1.8984   11.765   2.4037  573.303   64.408  654.396   71.444 -81.09253 96.19055 
1 1 1   23   20   29 o  181.383   49.897   0.9055   0.4799   0.9055   0.4799   0.0000   0.0000  181.383   49.897  ?   ?       ?      ? 
1 1 1   23   20   31 o  572.364   50.297   10.266   1.0163   10.898   1.1279   7.5338   2.3438  644.876   34.019  499.853   94.667 145.0226 100.5941 
1 1 1   23   20   33 o  462.756   36.179   4.8712   0.7167   4.2466   0.7957   7.5587   1.6505  400.996   38.595  524.515   61.205 -123.5184 72.35788 
1 1 1   23   20   35 o  148.373   34.653   0.6092   0.3143   0.7801   0.3557   0.0000   0.6715  168.083   41.427  128.663   55.561 39.41974 69.30571 
1 1 1   23   20   37 o  242.507   45.191   1.7443   0.5356   1.8260   0.6253   1.5194   1.0373  255.805   49.336  229.210   75.730 26.59465 90.38297 
1 1 1   23   20   39 o  256.920   48.550   1.9470   0.5889   1.9525   0.6714   1.9286   1.2261  262.859   51.521  250.982   82.305 11.87770 97.10072 
1 1 1   23   20   41 o  309.813   47.094   2.6324   0.7501   2.6324   0.7501   0.0000   0.0000  309.813   47.094  ?   ?       ?      ? 
1 1 1   23   20   43 o  518.770   41.648   6.7461   0.8811   6.1393   0.9690   9.6402   2.1163  475.777   39.615  561.763   73.274 -85.98636 83.29700 
1 1 1   23   20   45 o  163.800   38.600   0.8151   0.3516   0.9333   0.3763   0.0000   0.9881  181.033   41.335  146.567   65.201 34.46658 77.19948 
1 1 1   23   21    0 o  116.315   70.114   0.3494   0.7634   0.3494   0.7634   0.0000   0.0000  116.315   70.114  116.315   70.114 0.000000 0.000000 
1 1 1   23   21    2 o  696.406   53.937   12.835   1.9249   11.509   2.6825   14.243   2.7637  658.531   79.229  734.282   73.209 -75.75037 107.8740 
1 1 1   23   21    4 o  728.383   44.713   13.210   1.5742   11.963   1.8884   16.050   2.8500  676.932   54.259  779.835   71.083 -102.9026 89.42522 
1 1 1   23   21    6 o  293.353   57.116   2.3522   0.8848   2.2462   1.1876   2.4846   1.3266  286.181   78.402  300.524   83.080 -14.34293 114.2325 
1 1 1   23   21    8 o  371.517   58.716   3.8727   1.0923   4.3294   1.4747   3.3176   1.6257  398.091   74.798  344.943   90.529 53.14832 117.4321 
1 1 1   23   21   10 o  1232.28   37.429   32.536   1.9283   28.231   2.1195   53.224   4.6462  1043.02   39.525  1421.54   63.573 -378.5193 74.85815 
1 1 1   23   21   12 o  1655.67   43.987   71.818   3.1705   71.443   3.6234   73.041   6.5489  1657.36   42.523  1653.98   77.014 3.382324 87.97346 
1 1 1   23   21   14 o  767.695   42.012   14.505   1.4252   13.605   1.6194   17.597   3.0016  722.666   43.585  812.723   71.835 -90.05725 84.02369 
1 1 1   23   21   16 o  371.533   47.515   3.6509   0.7273   3.5867   0.8184   3.8921   1.5861  370.908   42.916  372.158   84.788 -1.250641 95.03087 
1 1 1   23   21   18 o  848.758   41.148   17.537   1.5572   16.155   1.7720   22.223   3.2630  786.339   43.831  911.176   69.654 -124.8368 82.29694 
1 1 1   23   21   20 o  268.975   46.676   1.8198   0.5388   1.6968   0.6003   2.3294   1.2221  250.135   48.433  287.815   79.805 -37.67912 93.35175 
1 1 1   23   21   22 o  455.671   47.953   5.8013   0.7740   5.8635   0.8440   5.4726   1.9410  474.591   34.592  436.751   89.450 37.84033 95.90595 
1 1 1   23   21   24 f  365.443   41.185   3.0082   0.5691   2.7229   0.6160   4.6682   1.4860  322.820   37.116  408.065   73.534 -85.24500 82.37007 
1 1 1   23   21   26 o  157.095   56.095   0.5797   0.5726   0.5797   0.5726   0.0000   0.0000  157.095   56.095  ?   ?       ?      ? 
1 1 1   23   21   28 o  291.589   36.626   2.2296   0.5491   2.2296   0.5491   0.0000   0.0000  291.589   36.626  ?   ?       ?      ? 
1 1 1   23   21   30 o  417.618   42.717   4.4378   0.8008   4.1250   0.9170   5.4432   1.6438  393.925   45.277  441.310   72.449 -47.38492 85.43315 
1 1 1   23   21   32 o  389.324   51.946   5.3965   0.7660   6.0396   0.8535   2.7333   1.7370  479.521   34.621  299.127   97.954 180.3941 103.8923 
1 1 1   23   21   34 o  202.364   41.384   1.2073   0.4129   1.3072   0.4591   0.7840   0.9448  218.220   42.444  186.508   71.055 31.71201 82.76714 
1 1 1   23   21   36 o  199.534   41.775   0.8805   0.3491   0.7666   0.3764   1.5821   0.9341  166.195   43.529  232.874   71.316 -66.67848 83.55068 
1 1 1   23   21   38 o  383.327   44.948   4.3468   0.6998   4.4667   0.7967   3.9418   1.4645  409.457   37.846  357.196   81.540 52.26047 89.89510 
1 1 1   23   21   40 o  208.217   49.524   1.2373   0.5224   1.2373   0.5224   0.0000   0.0000  208.217   49.524  ?   ?       ?      ? 
1 1 1   23   21   42 o  223.789   42.593   1.6430   0.4570   1.7975   0.4978   0.8154   1.1524  258.345   37.482  189.233   76.497 69.11243 85.18665 
1 1 1   23   21   44 f  169.379   41.669   0.7861   0.4162   0.7677   0.4911   0.8329   0.7842  163.648   51.958  175.110   65.158 -11.46176 83.33823 
1 1 1   23   22    1 o  883.141   53.640   20.714   2.4246   18.320   3.3928   23.214   3.4663  829.554   79.551  936.728   71.976 -107.1739 107.2792 
1 1 1   23   22    3 o  533.906   60.676   7.9626   1.5632   10.312   2.1886   5.5156   2.2336  625.160   68.094  442.651  100.447 182.5087 121.3530 
1 1 1   23   22    5 o  935.243   46.010   22.740   2.0394   22.270   2.4395   23.831   3.7164  923.665   51.372  946.821   76.346 -23.15576 92.02049 
1 1 1   23   22    7 o  740.355   35.874   14.213   1.3566   13.504   1.8014   15.142   2.0621  719.626   48.688  761.083   52.699 -41.45697 71.74763 
1 1 1   23   22    9 o  769.023   54.480   15.533   2.0686   10.341   2.7505   22.292   3.1387  619.686   86.332  918.360   66.476 -298.6740 108.9605 
1 1 1   23   22   11 o  625.114   46.299   10.667   0.9702   10.782   1.0392   9.8858   2.7094  645.487   31.313  604.741   87.143 40.74628 92.59841 
1 1 1   23   22   13 o  755.464   40.547   13.076   1.3724   11.336   1.5534   19.265   2.9297  659.029   45.846  851.899   66.890 -192.8704 81.09302 
1 1 1   23   22   15 o  445.789   47.996   5.4346   0.8898   5.4924   1.0164   5.2450   1.8409  458.869   43.083  432.710   85.780 26.15829 95.99168 
1 1 1   23   22   17 o  373.676   54.361   3.9750   1.0038   4.4959   1.3016   3.2107   1.5767  411.489   61.524  335.862   89.638 75.62653 108.7210 
1 1 1   23   22   19 o  420.729   47.449   4.5931   0.8285   4.4187   0.9343   5.2346   1.7923  410.749   44.242  430.709   83.954 -19.95981 94.89780 
1 1 1   23   22   21 o  870.059   43.460   19.713   1.6413   19.256   1.8668   21.271   3.4452  857.289   42.354  882.830   75.904 -25.54102 86.92068 
1 1 1   23   22   23 o  552.885   48.506   7.9602   1.3356   7.0165   1.6584   9.7019   2.2529  510.403   63.198  595.367   73.602 -84.96429 97.01138 
1 1 1   23   22   25 o  438.050   59.854   5.1691   1.3480   5.1691   1.3480   0.0000   0.0000  438.050   59.854  ?   ?       ?      ? 
1 1 1   23   22   27 o  185.058   46.757   0.8433   0.5713   1.0784   0.7080   0.4046   0.9673  198.965   62.282  171.150   69.755 27.81447 93.51378 
1 1 1   23   22   29 o  200.655   44.403   0.8782   0.4254   0.7017   0.4729   1.6275   0.9744  162.073   50.926  239.237   72.753 -77.16457 88.80553 
1 1 1   23   22   31 o  576.236   50.751   10.038   1.1939   10.718   1.3838   8.0549   2.3616  635.535   42.350  516.937   92.244 118.5986 101.5012 
1 1 1   23   22   33 o  171.745   39.935   0.6237   0.3621   0.4453   0.4133   1.2142   0.7518  135.671   47.739  207.819   64.033 -72.14864 79.86971 
1 1 1   23   22   35 o  199.973   41.780   1.2576   0.5048   1.6423   0.5768   0.0000   1.0429  243.024   47.869  156.921   68.490 86.10339 83.56021 
1 1 1   23   22   37 o  160.400   43.736   0.5579   0.4891   0.6226   0.5867   0.4103   0.8858  158.216   56.750  162.583   66.564 -4.367355 87.47175 
1 1 1   23   22   39 o  204.050   63.729   1.2116   0.7418   1.2116   0.7418   0.0000   0.0000  204.050   63.729  ?   ?       ?      ? 
1 1 1   23   22   41 o  416.624   41.887   4.6841   0.8319   4.2222   0.9873   5.8144   1.5445  390.004   49.240  443.242   67.776 -53.23795 83.77475 
1 1 1   23   22   43 o  223.912   44.829   1.6873   0.5483   1.9583   0.6304   0.8457   1.1111  261.110   48.754  186.714   75.243 74.39571 89.65728 
1 1 1   23   22   45 o  237.636   47.675   1.8223   0.5781   1.8579   0.6777   1.7270   1.1081  248.865   54.474  226.407   78.257 22.45854 95.34957 
1 1 1   23   23    0 o  374.056  103.975   4.4237   1.7297   4.4237   1.7297   0.0000   0.0000  374.056  103.975  374.056  103.975 0.000000 0.000000 
1 1 1   23   23    2 o  785.574   56.080   16.754   2.2012   21.075   3.1078   12.405   3.1181  892.962   67.695  678.186   89.428 214.7760 112.1601 
1 1 1   23   23    4 o  217.757   46.920   1.3114   0.5753   1.5590   0.6919   0.7566   1.0357  239.167   57.067  196.346   74.493 42.82092 93.83979 
1 1 1   23   23    6 o  255.417   50.510   1.8166   0.6487   1.9289   0.7574   1.5076   1.2563  266.268   57.046  244.565   83.370 21.70300 101.0192 
1 1 1   23   23    8 o  628.795   53.161   10.453   1.7095   9.1603   2.3028   12.039   2.5514  585.497   76.501  672.093   73.838 -86.59595 106.3219 
1 1 1   23   23   10 o  286.363   43.571   1.8140   0.4271   1.6956   0.4520   2.8015   1.3054  255.753   34.372  316.973   80.077 -61.22000 87.14246 
1 1 1   23   23   12 o  477.600   54.576   6.9846   1.0299   7.6189   1.1780   4.9268   2.1218  540.729   42.373  414.471  100.591 126.2585 109.1513 
1 1 1   23   23   14 o  607.120   48.871   10.649   1.0561   11.018   1.1517   8.6988   2.6470  651.535   34.383  562.706   91.495 88.82928 97.74224 
1 1 1   23   23   16 o  974.513   52.402   26.859   2.4321   29.806   3.0427   21.645   4.0474  1062.15   55.719  886.882   88.765 175.2627 104.8033 
1 1 1   23   23   18 o  607.301   43.595   9.7625   0.9899   9.7302   1.0793   9.9335   2.4844  611.705   34.320  602.896   80.150 8.808533 87.18900 
1 1 1   23   23   20 o  492.694   43.534   6.3879   0.8041   6.3376   0.8763   6.6557   2.0218  493.338   34.551  492.049   79.919 1.288513 87.06831 
1 1 1   23   23   22 o  466.065   47.878   5.8126   0.9028   5.7054   1.0142   6.2222   1.9822  466.102   42.321  466.027   85.895 0.7562256E-01 95.75501 
1 1 1   23   23   24 o  123.665   40.666   0.3864   0.2993   0.3864   0.2993   0.0000   0.0000  123.665   40.666  ?   ?       ?      ? 
1 1 1   23   23   26 o  196.384   43.219   0.5231   0.3321   0.3555   0.3495   2.0812   1.0655  123.686   43.859  269.083   74.485 -145.3979 86.43867 
1 1 1   23   23   28 o  298.563   47.256   2.4686   0.5297   2.4615   0.5716   2.5121   1.4088  306.138   36.318  290.989   87.254 15.14899 94.51104 
1 1 1   23   23   30 o  384.582   37.507   2.9996   0.5846   2.4850   0.6344   5.8977   1.5056  306.497   40.260  462.668   63.294 -156.1709 75.01318 
1 1 1   23   23   32 o  274.793   45.649   2.3458   0.5183   2.4801   0.5674   1.6688   1.2740  306.772   35.974  242.814   83.912 63.95805 91.29810 
1 1 1   23   23   34 o  252.177   41.839   1.0577   0.3992   0.7495   0.4252   3.3563   1.1611  164.706   47.554  339.648   68.851 -174.9422 83.67746 
1 1 1   23   23   36 o  437.344   41.748   4.7685   0.7302   4.4534   0.8007   6.3242   1.7790  409.054   38.073  465.635   74.311 -56.58157 83.49689 
1 1 1   23   23   38 o  429.251   46.202   5.0186   1.0196   5.0186   1.0196   0.0000   0.0000  429.251   46.202  ?   ?       ?      ? 
1 1 1   23   23   40 o  218.091   42.233   1.5068   0.4488   1.6426   0.4930   0.8486   1.0853  246.872   38.841  189.311   75.007 57.56171 84.46682 
1 1 1   23   23   42 f  198.755   40.134   1.0910   0.3705   1.0407   0.4142   1.2926   0.8293  191.312   43.136  206.197   67.691 -14.88464 80.26722 
1 1 1   23   23   44 o  288.605   48.849   2.6239   0.5817   2.6224   0.6363   2.6316   1.4351  308.682   40.096  268.528   89.090 40.15411 97.69703 
1 1 1   23   24    1 o  1413.02   53.544   53.313   3.8874   54.202   5.4345   52.380   5.5630  1426.19   74.116  1399.85   77.297 26.34082 107.0883 
1 1 1   23   24    3 o  695.328   54.743   12.957   1.9519   13.417   2.6989   12.452   2.8262  709.465   73.993  681.191   80.699 28.27393 109.4861 
1 1 1   23   24    5 o  509.038   46.287   6.5515   1.1402   6.0025   1.3719   7.7778   2.0504  478.103   55.812  539.974   73.858 -61.87137 92.57373 
1 1 1   23   24    7 o  711.020   47.946   13.681   1.5800   14.056   1.8846   12.793   2.8987  732.924   50.015  689.116   81.816 43.80804 95.89243 
1 1 1   23   24    9 o  227.477   40.678   1.0421   0.3376   0.9181   0.3584   2.0213   1.0074  184.536   38.994  270.419   71.403 -85.88295 81.35668 
1 1 1   23   24   11 o  662.084   37.547   9.6208   0.9305   8.8689   0.9988   14.561   2.5600  584.805   33.220  739.363   67.347 -154.5575 75.09438 
1 1 1   23   24   13 o  719.687   43.083   13.284   1.1715   13.071   1.2760   14.424   2.9553  709.382   34.987  729.991   78.742 -20.60852 86.16510 
1 1 1   23   24   15 o  282.013   40.102   1.5064   0.4266   1.2165   0.4578   3.4180   1.1756  211.970   43.468  352.055   67.403 -140.0855 80.20386 
1 1 1   23   24   17 o  650.284   43.987   11.431   1.0723   11.502   1.1728   11.072   2.6472  664.970   34.304  635.597   81.010 29.37280 87.97366 
1 1 1   23   24   19 f  312.495   48.858   2.5194   0.6335   2.4119   0.7023   2.9886   1.4671  302.915   45.097  322.076   86.687 -19.16077 97.71597 
1 1 1   23   24   21 f  656.963   41.483   11.329   1.4011   11.329   1.4011   0.0000   0.0000  656.963   41.483  ?   ?       ?      ? 
1 1 1   23   24   23 o  380.125   35.376   3.7774   0.6914   3.7774   0.6914   0.0000   0.0000  380.125   35.376  ?   ?       ?      ? 
1 1 1   23   24   25 o  406.376   53.687   5.2230   0.7557   5.4586   0.8198   3.8906   1.9497  456.655   34.918  356.097  101.538 100.5579 107.3744 
1 1 1   23   24   27 o  333.520   41.658   2.5783   0.6324   2.0354   0.7250   4.3048   1.2930  270.731   53.984  396.309   63.462 -125.5773 83.31672 
1 1 1   23   24   29 o  420.688   49.470   4.9031   0.8603   4.8194   0.9747   5.1983   1.8305  425.508   44.553  415.868   88.340 9.639435 98.93925 
1 1 1   23   24   31 o  440.568   40.838   4.8474   0.7188   4.5883   0.7893   6.1061   1.7397  417.048   36.812  464.088   72.911 -47.03995 81.67683 
1 1 1   23   24   33 o  182.784   42.897   0.8195   0.3508   0.8139   0.3724   0.8643   1.0447  171.384   42.478  194.184   74.540 -22.79980 85.79392 
1 1 1   23   24   35 o  323.995   48.577   3.3052   0.6121   3.4484   0.6722   2.6091   1.4821  360.607   36.255  287.383   90.135 73.22351 97.15317 
1 1 1   23   24   37 o  332.046   68.824   3.2840   1.1363   3.2840   1.1363   0.0000   0.0000  332.046   68.824  ?   ?       ?      ? 
1 1 1   23   24   39 o  344.066   45.918   3.0060   0.7040   2.4165   0.8084   4.8565   1.4323  288.672   56.493  399.461   72.406 -110.7893 91.83693 
1 1 1   23   24   41 o  187.809   42.228   0.8658   0.3524   0.7922   0.3799   1.3205   0.9443  166.797   43.753  208.821   72.240 -42.02371 84.45676 
1 1 1   23   24   43 o  327.942   49.034   3.2503   0.6297   3.1834   0.6914   3.5759   1.5248  340.786   39.462  315.098   89.778 25.68851 98.06755 
1 1 1   23   25    0 o  639.490   82.359   11.260   2.5844   0.0000   0.0000   11.260   2.5844  639.490   82.359  639.490   82.359 -0.000000 0.000000 
1 1 1   23   25    2 o  807.076   54.884   17.539   2.2669   19.189   3.1838   15.843   3.2285  847.648   73.056  766.504   81.925 81.14343 109.7677 
1 1 1   23   25    4 o  820.546   45.538   17.127   1.8124   15.803   2.1880   20.020   3.2348  775.437   54.883  865.656   72.683 -90.21924 91.07635 
1 1 1   23   25    6 o  546.397   42.800   7.5919   0.9516   7.4072   1.0556   8.3927   2.1978  533.779   38.466  559.015   76.469 -25.23511 85.59917 
1 1 1   23   25    8 o  357.588   47.871   3.1735   0.7417   2.9094   0.8423   4.0856   1.5654  333.222   49.165  381.954   82.154 -48.73163 95.74142 
1 1 1   23   25   10 o  441.361   39.397   4.1236   0.7372   3.4733   0.8126   7.1489   1.7526  364.711   43.335  518.011   65.807 -153.3005 78.79337 
1 1 1   23   25   12 o  730.393   45.272   14.489   1.1517   14.597   1.2409   13.817   3.0925  750.078   32.179  710.709   84.633 39.36981 90.54447 
1 1 1   23   25   14 o  1336.00   42.776   46.474   2.1666   45.982   2.3654   49.038   5.3993  1329.81   34.598  1342.20   78.244 -12.39868 85.55151 
1 1 1   23   25   16 o  401.134   40.498   3.4882   0.7332   2.7431   0.8289   6.1676   1.5719  322.492   49.994  479.776   63.725 -157.2839 80.99525 
1 1 1   23   25   18 o  436.427   52.082   5.1340   1.0831   4.8484   1.3263   5.7059   1.8768  425.481   60.630  447.374   84.700 -21.89230 104.1639 
1 1 1   23   25   20 o  600.325   41.868   9.4670   1.2922   9.4670   1.2922   0.0000   0.0000  600.325   41.868  ?   ?       ?      ? 
1 1 1   23   25   22 o  852.742   39.520   17.481   1.3211   16.469   1.4404   22.842   3.3153  793.651   35.300  911.832   70.719 -118.1813 79.03951 
1 1 1   23   25   24 o  433.618   51.314   5.5622   0.7667   5.6855   0.8325   4.8731   1.9678  466.058   34.745  401.177   96.567 64.88138 102.6274 
1 1 1   23   25   26 o  211.834   46.168   0.9953   0.4509   0.8257   0.4968   1.7882   1.0743  173.897   51.741  249.772   76.478 -75.87508 92.33658 
1 1 1   23   25   28 o  412.127   50.267   4.7764   0.8516   4.7425   0.9637   4.8972   1.8187  422.148   44.405  402.105   90.196 20.04333 100.5344 
1 1 1   23   25   30 o  503.626   40.210   6.2620   0.8080   5.8965   0.8860   8.0677   1.9695  472.915   36.439  534.337   71.690 -61.42191 80.41976 
1 1 1   23   25   32 o  318.928   48.625   3.3087   0.6061   3.5192   0.6641   2.2579   1.4836  365.188   35.369  272.668   90.590 92.52072 97.24998 
1 1 1   23   25   34 o  436.537   45.390   5.1866   0.7628   5.0460   0.8433   5.8194   1.7892  435.771   37.639  437.304   82.609 -1.532471 90.77993 
1 1 1   23   25   36 o  148.854   46.160   0.6057   0.3900   0.6057   0.3900   0.0000   0.0000  148.854   46.160  ?   ?       ?      ? 
1 1 1   23   25   38 o  524.435   56.157   9.2229   1.1657   10.050   1.3501   6.8013   2.3105  607.997   43.192  440.873  103.676 167.1239 112.3131 
1 1 1   23   25   40 o  176.925   40.297   0.9287   0.3705   1.0111   0.4016   0.4579   0.9599  189.047   42.372  164.802   68.556 24.24538 80.59307 
1 1 1   23   25   42 o  144.163   37.044   0.5714   0.3191   0.6900   0.3370  -0.4566   0.9921  155.605   41.403  132.722   61.438 22.88286 74.08705 
1 1 1   23   26    1 o  247.165   35.779   1.6453   0.4469   1.2816   0.6298   2.0141   0.6342  216.585   56.107  277.744   44.412 -61.15912 71.55715 
1 1 1   23   26    3 o  988.916   35.885   25.337   1.7836   24.198   2.2716   27.169   2.8802  962.109   45.924  1015.72   55.155 -53.61481 71.77060 
1 1 1   23   26    5 o  887.268   38.189   20.480   1.7421   20.480   1.7421   0.0000   0.0000  887.268   38.189  ?   ?       ?      ? 
1 1 1   23   26    7 o  650.948   36.349   11.038   1.1843   10.714   1.5020   11.570   1.9254  639.955   45.651  661.942   56.576 -21.98688 72.69714 
1 1 1   23   26    9 o  255.674   44.063   1.6243   0.4854   1.5008   0.5422   2.1232   1.0897  235.460   46.436  275.888   74.899 -40.42892 88.12637 
1 1 1   23   26   11 o  344.109   44.865   2.8260   0.6260   2.5803   0.6921   3.9319   1.4685  314.120   42.854  374.098   78.836 -59.97815 89.73058 
1 1 1   23   26   13 o  474.262   45.097   5.4904   0.9605   4.9892   1.0951   7.1603   1.9991  435.345   48.929  513.180   75.770 -77.83420 90.19455 
1 1 1   23   26   15 o  300.025   52.948   2.8589   0.8754   3.6893   1.0448   0.9032   1.6035  372.889   54.500  227.160   90.796 145.7284 105.8968 
1 1 1   23   26   17 o  542.290   61.483   7.8949   1.7142   7.8949   1.7142   0.0000   0.0000  542.290   61.483  ?   ?       ?      ? 
1 1 1   23   26   19 o  399.816   35.479   4.1754   0.7293   4.1754   0.7293   0.0000   0.0000  399.816   35.479  ?   ?       ?      ? 
1 1 1   23   26   21 f  337.802   48.666   3.4588   0.6139   3.5993   0.6703   2.7283   1.5281  370.997   35.144  304.606   90.766 66.39124 97.33258 
1 1 1   23   26   23 o  347.558   48.815   3.5127   0.6222   3.5743   0.6769   3.1767   1.5800  369.317   35.651  325.800   90.888 43.51648 97.63062 
1 1 1   23   26   25 o  708.131   43.734   13.379   1.1696   13.222   1.2773   14.192   2.9109  710.000   34.991  706.263   80.165 3.737915 87.46886 
1 1 1   23   26   27 o  426.209   41.531   3.7541   0.7793   2.7424   0.8701   7.8591   1.7526  318.667   53.106  533.751   63.868 -215.0838 83.06195 
1 1 1   23   26   29 o  398.136   51.691   4.5221   0.8213   4.5017   0.9177   4.6044   1.8409  411.056   43.422  385.217   93.822 25.83887 103.3830 
1 1 1   23   26   31 o  230.018   46.369   1.2803   0.4163   1.2057   0.4425   1.8550   1.2281  209.128   42.602  250.909   82.374 -41.78049 92.73804 
1 1 1   23   26   33 f  204.261   43.398   1.1880   0.4128   1.2321   0.4473   0.9351   1.0714  211.007   42.700  197.516   75.566 13.49075 86.79633 
1 1 1   23   26   35 o  159.900   47.138   0.7112   0.4139   0.7112   0.4139   0.0000   0.0000  159.900   47.138  ?   ?       ?      ? 
1 1 1   23   26   37 o  295.502   49.896   2.9321   0.7132   3.2853   0.8231   1.8689   1.4283  346.405   46.217  244.599   88.444 101.8066 99.79160 
1 1 1   23   26   39 f  164.339   41.260   0.6038   0.3225   0.5561   0.3446   0.9405   0.9154  141.633   43.306  187.046   70.243 -45.41261 82.51974 
1 1 1   23   26   41 o  264.579   44.235   2.6302   0.5645   3.0142   0.6258   0.9501   1.3088  333.541   36.491  195.616   80.595 137.9251 88.47093 
1 1 1   23   27    0 o  214.220   72.869   1.5490   0.7195   1.5490   0.7195   0.0000   0.0000  214.220   72.869  214.220   72.869 -0.000000 0.000000 
1 1 1   23   27    2 o  927.219   40.059   22.725   1.9090   23.068   2.6810   22.372   2.7189  934.691   55.791  919.746   57.499 14.94543 80.11748 
1 1 1   23   27    4 o  497.225   35.776   6.7089   0.8313   7.0459   1.0030   5.9695   1.4856  520.304   37.495  474.146   60.942 46.15756 71.55248 
1 1 1   23   27    6 f  769.727   32.166   15.493   1.2718   14.652   1.7614   16.409   1.8381  747.834   45.812  791.621   45.163 -43.78656 64.33115 
1 1 1   23   27    8 o  268.688   33.909   1.8803   0.4543   1.6112   0.5916   2.2668   0.7091  243.477   48.961  293.899   46.926 -50.42218 67.81705 
1 1 1   23   27   10 o  213.472   35.367   1.2080   0.3815   0.9271   0.5005   1.5974   0.5892  184.664   51.025  242.279   48.986 -57.61470 70.73302 
1 1 1   23   27   12 o  421.384   35.803   4.7210   0.7675   3.9714   1.0891   5.4605   1.0817  386.978   54.741  455.790   46.160 -68.81256 71.60577 
1 1 1   23   27   14 f  752.081   50.969   15.106   1.9157   14.216   2.4117   16.628   3.1536  726.756   64.545  777.406   78.902 -50.65027 101.9389 
1 1 1   23   27   16 o  670.381   62.492   12.101   2.1538   12.101   2.1538   0.0000   0.0000  670.381   62.492  ?   ?       ?      ? 
1 1 1   23   27   18 f  169.961   45.426   0.5192   0.5257   0.3042   0.6490   0.9296   0.8966  144.191   57.718  195.730   70.162 -51.53960 90.85185 
1 1 1   23   27   20 o  334.239   45.465   2.6725   0.6659   2.2226   0.7577   4.1980   1.3952  284.013   53.864  384.464   73.261 -100.4506 90.93098 
1 1 1   23   27   22 o  612.320   44.595   9.7272   1.2035   9.2655   1.3721   11.267   2.5054  591.078   45.152  633.562   76.917 -42.48425 89.19064 
1 1 1   23   27   24 o  114.653   33.501   0.1823   0.2284   0.2049   0.2422   0.0000   0.6866   98.583   36.301  130.723   56.317 -32.14027 67.00288 
1 1 1   23   27   26 o  298.124   50.450   2.5865   0.6562   2.6409   0.7325   2.3656   1.4769  314.756   45.264  281.492   90.178 33.26337 100.9007 
1 1 1   23   27   28 o  424.415   47.901   4.5227   0.8378   4.1126   0.9338   6.2154   1.8971  391.908   46.345  456.922   83.846 -65.01434 95.80158 
1 1 1   23   27   30 o  179.296   39.600   0.9134   0.3485   0.9864   0.3765   0.4762   0.9214  189.396   39.923  169.196   68.402 20.20033 79.20026 
1 1 1   23   27   32 o  359.286   48.404   3.3756   0.6357   3.2161   0.6874   4.3189   1.6717  347.703   38.451  370.869   88.843 -23.16605 96.80714 
1 1 1   23   27   34 o  203.976   48.726   1.1784   0.5040   1.1784   0.5040   0.0000   0.0000  203.976   48.726  ?   ?       ?      ? 
1 1 1   23   27   36 o  226.508   48.161   1.5154   0.5406   1.5343   0.6056   1.4412   1.1998  231.011   52.217  222.004   80.941 9.007111 96.32278 
1 1 1   23   27   38 o  191.737   43.814   0.7048   0.4160   0.4290   0.4602   1.9373   0.9730  134.852   49.968  248.621   71.985 -113.7693 87.62807 
1 1 1   23   27   40 o  256.583   50.820   1.9366   0.5944   1.8168   0.6616   2.4386   1.3543  248.381   53.397  264.785   86.483 -16.40417 101.6392 
1 1 1   23   28    1 f  176.723   37.273   0.8441   0.3657   0.6976   0.5676   0.9481   0.4781  166.879   56.042  186.566   49.157 -19.68694 74.54604 
1 1 1   23   28    3 o  843.797   36.652   18.937   1.5534   17.947   2.4356   19.616   2.0169  822.545   57.594  865.049   45.349 -42.50464 73.30453 
1 1 1   23   28    5 o  623.730   40.341   10.329   1.2923   10.608   1.8043   10.036   1.8517  632.910   55.450  614.550   58.607 18.35968 80.68168 
1 1 1   23   28    7 o  550.599   37.526   8.0999   1.0327   8.4168   1.3311   7.6206   1.6369  566.242   45.723  534.955   59.517 31.28662 75.05232 
1 1 1   23   28    9 o  347.055   39.251   3.1664   0.6966   2.9044   0.9282   3.5043   1.0540  330.965   54.548  363.145   56.453 -32.17923 78.50117 
1 1 1   23   28   11 o  353.325   40.786   3.3735   0.7160   3.3848   0.9478   3.3584   1.0927  357.615   51.549  349.035   63.219 8.580719 81.57173 
1 1 1   23   28   13 o  379.610   48.683   4.0851   0.9058   3.2398   1.3570   4.7643   1.2164  336.470   79.676  422.750   55.964 -86.28033 97.36664 
1 1 1   23   28   15 o  401.451   38.885   4.3440   0.7776   4.4931   0.9961   4.1113   1.2443  412.359   46.986  390.544   61.973 21.81461 77.77040 
1 1 1   23   28   17 o  662.926   52.059   11.823   1.7516   10.060   2.2739   14.396   2.7469  603.927   73.235  721.924   74.008 -117.9972 104.1174 
1 1 1   23   28   19 o  218.149   47.453   1.3532   0.5571   1.4860   0.6439   0.9578   1.1111  230.965   55.015  205.333   77.333 25.63205 94.90568 
1 1 1   23   28   21 o  470.696   46.193   5.4987   0.9313   5.0647   1.0424   7.2152   2.0731  436.479   46.451  504.913   79.859 -68.43365 92.38609 
1 1 1   23   28   23 o  392.330   53.284   4.6756   0.8728   4.9178   0.9966   3.8782   1.8081  430.016   45.079  354.644   96.564 75.37173 106.5678 
1 1 1   23   28   25 o  671.970   47.194   12.259   1.3646   12.021   1.5513   13.076   2.8693  671.608   44.927  672.333   83.009 -0.7250366 94.38733 
1 1 1   23   28   27 o  1083.15   51.449   33.154   2.7792   32.794   3.5313   33.740   4.5047  1087.97   63.132  1078.31   81.255 9.661255 102.8977 
1 1 1   23   28   29 o  471.815   39.437   4.8373   0.7410   4.2115   0.8034   8.4059   1.9184  398.297   39.231  545.333   68.425 -147.0361 78.87345 
1 1 1   23   28   31 o  509.013   52.282   7.9532   0.9197   8.1610   1.0060   6.8954   2.2698  555.373   35.231  462.653   98.450 92.72037 104.5639 
1 1 1   23   28   33 o  300.638   44.129   2.4433   0.6821   2.4433   0.6821   0.0000   0.0000  300.638   44.129  ?   ?       ?      ? 
1 1 1   23   28   35 o  349.371   51.792   4.1057   0.6965   4.3286   0.7639   3.0072   1.6959  402.210   36.942  296.533   96.773 105.6761 103.5847 
1 1 1   23   28   37 o  302.875   56.415   2.7278   0.9114   1.6770   1.1527   4.4796   1.4885  231.198   79.823  374.552   79.741 -143.3536 112.8292 
1 1 1   23   28   39 o  351.698   49.906   3.7298   0.6679   3.6723   0.7317   4.0171   1.6357  367.292   38.749  336.105   91.983 31.18631 99.81132 
1 1 1   23   28   41 o  237.383   41.417   2.1281   0.5103   2.4858   0.5637   0.5058   1.2005  301.978   36.309  172.788   74.453 129.1900 82.83489 
1 1 1   23   29    0 o  696.971   57.876   12.954   2.0410   0.0000   0.0000   12.954   2.0410  696.971   57.876  696.971   57.876 0.000000 0.000000 
1 1 1   23   29    2 o  336.664   60.079   3.1037   1.0018   3.1037   1.0018   0.0000   0.0000  336.664   60.079  ?   ?       ?      ? 
1 1 1   23   29    4 o  416.626   41.305   4.6578   0.8760   5.3102   1.2273   3.9804   1.2506  447.808   53.308  385.445   63.109 62.36304 82.61088 
1 1 1   23   29    6 o  938.738   36.916   23.256   1.7372   23.016   2.2195   23.636   2.7912  935.453   46.149  942.022   57.632 -6.568542 73.83215 
1 1 1   23   29    8 o  142.714   33.855   0.4980   0.2988   0.6502   0.4191   0.3405   0.4262  156.555   47.734  128.872   48.021 27.68285 67.70911 
1 1 1   23   29   10 o  450.189   36.290   5.3779   0.8374   5.2827   1.2260   5.4611   1.1465  445.869   53.484  454.509   49.064 -8.640137 72.57988 
1 1 1   23   29   12 f  346.264   50.155   3.4945   0.8588   2.5560   1.3348   4.1576   1.1219  297.794   83.702  394.734   55.283 -96.93973 100.3103 
1 1 1   23   29   14 o  625.272   36.341   10.494   1.0840   10.666   1.3168   10.133   1.9092  637.384   40.185  613.160   60.563 24.22400 72.68181 
1 1 1   23   29   16 o  588.036   67.254   9.4563   2.0333   9.4563   2.0333   0.0000   0.0000  588.036   67.254  ?   ?       ?      ? 
1 1 1   23   29   18 o  662.204   36.899   11.397   1.2209   10.384   1.5288   13.181   2.0285  624.980   47.579  699.429   56.412 -74.44843 73.79731 
1 1 1   23   29   20 o  731.716   43.718   13.386   1.4314   12.224   1.6315   17.273   2.9830  677.657   46.827  785.774   73.839 -108.1174 87.43546 
1 1 1   23   29   22 f  217.316   42.143   1.5014   0.5362   1.9246   0.6071   0.0000   1.1433  269.181   43.864  165.452   71.972 103.7293 84.28533 
1 1 1   23   29   24 f  362.264   54.568   4.4637   0.8698   5.0615   0.9936   2.5035   1.7994  435.916   44.335  288.612   99.725 147.3041 109.1358 
1 1 1   23   29   26 o  307.293   49.881   2.7849   0.7150   2.8881   0.8352   2.5016   1.3836  327.338   49.625  287.248   86.544 40.09033 99.76267 
1 1 1   23   29   28 o  274.008   45.206   1.3570   0.7332   0.0000   0.8753   4.5486   1.3423  145.111   63.048  402.906   64.801 -257.7950 90.41106 
1 1 1   23   29   30 o  241.574   50.585   1.3586   0.7147   0.4815   0.8827   3.0278   1.2178  166.252   67.041  316.897   75.769 -150.6452 101.1699 
1 1 1   23   29   32 o   62.764   26.788   0.0000   0.1527   0.0000   0.1527   0.0000   0.0000   62.764   26.788  ?   ?       ?      ? 
1 1 1   23   29   34 o  475.638   43.717   5.7559   0.8084   5.3894   0.8809   7.7092   2.0339  448.190   38.230  503.085   78.634 -54.89511 87.43475 
1 1 1   23   29   36 o  242.994   52.311   1.3112   0.5863   0.9313   0.6452   3.1138   1.4054  180.535   59.727  305.453   85.897 -124.9188 104.6210 
1 1 1   23   29   38 o  210.095   43.272   1.3793   0.4408   1.4513   0.4843   1.0314   1.0646  226.463   43.167  193.726   75.009 32.73723 86.54321 
1 1 1   23   29   40 o  352.117   50.848   3.8430   0.6687   3.7829   0.7284   4.1647   1.6861  371.603   38.125  332.632   94.278 38.97067 101.6953 
1 1 1   23   30    1 o  348.294   52.863   3.9175   0.8287   4.4882   0.9579   2.2189   1.6526  413.100   45.102  283.489   95.623 129.6116 105.7258 
1 1 1   23   30    3 o  560.238   33.215   8.2731   0.9468   6.7949   1.3101   9.8894   1.3699  506.831   50.276  613.645   43.421 -106.8138 66.43050 
1 1 1   23   30    5 o  444.386   31.582   5.2728   0.7040   5.6197   0.9206   4.7844   1.0925  463.529   38.632  425.243   49.972 38.28513 63.16334 
1 1 1   23   30    7 o  545.289   31.337   7.7749   0.8722   7.4350   1.1556   8.2246   1.3294  532.110   42.241  558.468   46.301 -26.35797 62.67454 
1 1 1   23   30    9 o  361.477   30.170   3.4310   0.5600   3.6862   0.8066   3.1935   0.7780  374.585   41.882  348.370   43.439 26.21463 60.34100 
1 1 1   23   30   11 o  261.183   46.614   1.8088   0.5845   2.2387   1.0803   1.6309   0.6950  280.142   73.931  242.224   56.796 37.91873 93.22849 
1 1 1   23   30   13 o  187.893   39.268   0.9665   0.4075   0.8549   0.5945   1.0654   0.5597  179.325   57.190  196.460   53.825 -17.13533 78.53517 
1 1 1   23   30   15 o  1209.62   53.772   40.828   3.2539   40.952   4.1674   40.636   5.2082  1223.36   66.258  1195.89   84.709 27.47607 107.5437 
1 1 1   23   30   17 o  284.940   48.281   2.3146   0.6959   2.3744   1.0332   2.2649   0.9416  287.658   70.427  282.222   66.062 5.436157 96.56139 
1 1 1   23   30   19 o  232.810   40.969   1.6042   0.4970   1.9591   0.6361   1.0484   0.7961  267.350   48.048  198.270   66.373 69.08043 81.93891 
1 1 1   23   30   21 o  462.526   38.542   5.7786   0.8843   5.7557   1.1146   5.8174   1.4528  464.354   46.687  460.698   61.337 3.655945 77.08389 
1 1 1   23   30   23 o  427.114   43.304   4.3112   0.8353   3.6360   0.9481   6.6550   1.7664  367.553   50.171  486.675   70.596 -119.1221 86.60728 
1 1 1   23   30   25 o  367.933   53.412   4.1167   0.8215   4.2654   0.9283   3.5800   1.7642  399.266   45.224  336.599   96.779 62.66660 106.8247 
1 1 1   23   30   27 o  220.929   49.490   1.3827   0.7348   2.1907   0.9249   0.0000   1.2099  274.173   66.335  167.685   73.463 106.4885 98.98085 
1 1 1   23   30   29 o  348.932   53.632   3.1769   0.9461   1.9106   1.1560   5.7464   1.6467  251.776   79.689  446.089   71.800 -194.3127 107.2639 
1 1 1   23   30   31 o  248.231   53.036   1.7567   0.6563   1.7567   0.6563   0.0000   0.0000  248.231   53.036  ?   ?       ?      ? 
1 1 1   23   30   33 o  332.289   55.018   3.2621   0.7943   3.1526   0.8903   3.6890   1.7581  337.129   51.368  327.450   97.311 9.678711 110.0366 
1 1 1   23   30   35 f  572.447   64.654   12.432   1.1752   13.277   1.2820   7.9792   2.9416  703.881   35.426  441.013  124.360 262.8675 129.3078 
1 1 1   23   30   37 o  225.390   54.041   1.4580   0.6843   1.1975   0.8030   2.1496   1.3082  199.166   66.657  251.614   85.079 -52.44823 108.0811 
1 1 1   23   30   39 o  136.272   39.311   0.3731   0.2956   0.4047   0.3079   0.0000   1.0579  123.036   41.273  149.508   66.917 -26.47221 78.62188 
1 1 1   23   31    0 o  324.879  103.660   3.5677   1.5255   0.0000   0.0000   3.5677   1.5255  324.879  103.660  324.879  103.660 -0.000000 0.000000 
1 1 1   23   31    2 o  155.456   40.036   0.5735   0.3827   0.0000   0.8947   0.7019   0.4234  149.365   64.319  161.548   47.692 -12.18256 80.07117 
1 1 1   23   31    4 o  990.901   32.402   25.897   1.6503   25.346   2.3027   26.479   2.3663  980.132   45.697  1001.67   45.948 -21.53723 64.80346 
1 1 1   23   31    6 o  406.560   37.935   4.4555   0.7760   4.1337   1.2012   4.6860   1.0166  392.119   59.585  421.000   46.968 -28.88120 75.87038 
1 1 1   23   31    8 o  255.074   41.856   1.7693   0.5362   2.2169   0.8280   1.4460   0.7037  282.453   58.922  227.694   59.463 54.75902 83.71184 
1 1 1   23   31   10 o  309.970   37.630   2.6415   0.5628   2.4629   0.9112   2.7517   0.7156  296.897   61.706  323.043   43.086 -26.14636 75.26027 
1 1 1   23   31   12 o  477.993   32.452   5.9378   0.7896   5.0344   1.0405   7.1648   1.2126  435.764   46.443  520.221   45.338 -84.45764 64.90379 
1 1 1   23   31   14 o  346.851   50.509   3.2818   0.6989   3.2193   0.7719   3.5661   1.6462  348.977   43.021  344.724   91.400 4.253326 101.0183 
1 1 1   23   31   16 o  316.145   52.659   2.6843   0.8559   0.0000   0.0000   2.6843   0.8559  ?   ?   316.145   52.659      ?      ? 
1 1 1   23   31   18 o  189.747   40.632   1.0412   0.4734   0.1987   0.8382   1.4357   0.5737  152.157   63.743  227.338   50.404 -75.18073 81.26324 
1 1 1   23   31   20 o  239.299   48.410   1.6594   0.6293   1.4103   0.9592   1.8476   0.8338  224.414   72.755  254.185   63.881 -29.77075 96.82001 
1 1 1   23   31   22 o  280.659   53.137   2.1930   0.7387   2.1930   0.7387   0.0000   0.0000  280.659   53.137  ?   ?       ?      ? 
1 1 1   23   31   24 o  191.459   39.937   1.0404   0.4222   1.1722   0.5446   0.8420   0.6683  204.214   51.793  178.703   60.806 25.51027 79.87436 
1 1 1   23   31   26 o  293.112   71.127   2.5386   1.0610   2.5386   1.0610   0.0000   0.0000  293.112   71.127  ?   ?       ?      ? 
1 1 1   23   31   28 o  204.497   65.776   1.1889   0.7852   1.1889   0.7852   0.0000   0.0000  204.497   65.776  ?   ?       ?      ? 
1 1 1   23   31   30 o  266.426   55.537   2.0352   0.7361   2.0352   0.7361   0.0000   0.0000  266.426   55.537  ?   ?       ?      ? 
1 1 1   23   31   32 o  203.626   42.791   1.3588   0.5306   1.7450   0.6013   0.0000   1.1280  248.188   48.861  159.063   70.263 89.12453 85.58203 
1 1 1   23   31   34 o  334.260   53.350   4.2744   0.9122   5.1841   1.0578   1.6356   1.8016  432.785   47.538  235.735   95.525 197.0501 106.6998 
1 1 1   23   31   36 o  260.735   54.151   2.3691   0.8567   3.1043   1.0768   1.1013   1.4141  316.129   68.252  205.342   84.090 110.7869 108.3022 
1 1 1   23   31   38 o  272.949   36.682   1.1851   0.4002   0.6929   0.4293   4.4523   1.1059  155.253   48.477  390.646   55.065 -235.3936 73.36363 
1 1 1   23   32    1 o  444.769   34.682   5.3266   0.7697   3.8646   1.0805   6.8327   1.0967  379.970   55.308  509.567   41.860 -129.5977 69.36348 
1 1 1   23   32    3 o  309.810   50.019   2.8785   0.7134   2.1888   1.4205   3.1111   0.8249  276.810   88.413  342.810   46.805 -65.99963 100.0383 
1 1 1   23   32    5 o  584.708   44.316   8.8274   1.1971   10.310   2.3267   8.2935   1.3961  610.480   74.130  558.935   48.584 51.54492 88.63223 
1 1 1   23   32    7 o  217.870   38.568   1.2547   0.4385   1.8533   0.6810   0.8306   0.5731  259.102   52.909  176.639   56.131 82.46399 77.13685 
1 1 1   23   32    9 o  870.133   31.840   19.958   1.4171   19.246   1.8967   20.858   2.1319  853.631   43.217  886.635   46.769 -33.00464 63.67953 
1 1 1   23   32   11 o  163.638   34.019   0.7275   0.3054   0.6876   0.4458   0.7628   0.4192  160.227   49.299  167.049   46.891 -6.822739 68.03799 
1 1 1   23   32   13 o  797.570   44.654   15.462   1.5124   14.104   1.6843   21.114   3.4366  729.067   44.933  866.072   77.181 -137.0049 89.30807 
1 1 1   23   32   15 o  203.904   40.788   1.1633   0.4461   1.1085   0.6663   1.2079   0.6006  199.984   60.013  207.823   55.254 -7.838638 81.57539 
1 1 1   23   32   17 o  801.226   34.546   17.239   1.4187   18.303   1.9783   16.113   2.0356  828.281   46.457  774.171   51.143 54.10919 69.09296 
1 1 1   23   32   19 o  183.625   36.854   0.8964   0.3917   1.4033   0.5634   0.4221   0.5450  224.454   50.091  142.796   54.071 81.65813 73.70732 
1 1 1   23   32   21 o  423.038   49.862   5.5905   0.9513   3.6647   1.5751   6.6965   1.1936  346.035   88.256  500.040   46.430 -154.0044 99.72428 
1 1 1   23   32   23 o  543.586   42.014   8.2460   1.1272   7.7565   1.8333   8.5435   1.4293  524.750   67.953  562.424   49.429 -37.67413 84.02877 
1 1 1   23   32   25 o  264.263   68.523   2.0549   0.9388   2.0549   0.9388   0.0000   0.0000  264.263   68.523  ?   ?       ?      ? 
1 1 1   23   32   27 o  389.152   64.567   4.2932   1.2918   4.2932   1.2918   0.0000   0.0000  389.152   64.567  ?   ?       ?      ? 
1 1 1   23   32   29 o  513.465   47.780   7.1997   1.2613   7.1997   1.2613   0.0000   0.0000  513.465   47.780  ?   ?       ?      ? 
1 1 1   23   32   31 f  432.875   50.557   5.0693   0.9129   4.6409   1.0259   6.6991   2.0009  410.393   48.621  455.356   88.657 -44.96338 101.1140 
1 1 1   23   32   33 o  254.400   48.901   2.1992   0.6414   2.4518   0.7123   1.1161   1.4751  298.035   46.487  210.764   86.048 87.27081 97.80190 
1 1 1   23   32   35 o  197.108   45.808   0.9434   0.4414   0.7766   0.4881   1.6924   1.0343  164.630   51.741  229.587   75.607 -64.95752 91.61634 
1 1 1   23   32   37 o  277.569   48.239   2.0728   0.5983   1.6896   0.6780   3.4202   1.2714  236.100   56.595  319.038   78.134 -82.93813 96.47797 
1 1 1   23   33    0 o  419.451   56.260   4.7554   1.0354   6.5395   1.8433   3.9331   1.2514  474.638   83.180  364.264   75.775 0.000000 0.000000 
1 1 1   23   33    2 o  264.448   38.155   1.9342   0.5011   2.0346   0.7172   1.8383   0.7006  271.505   53.279  257.392   54.631 14.11325 76.31017 
1 1 1   23   33    4 o  828.906   32.853   18.229   1.4000   18.224   1.9688   18.233   1.9911  828.950   46.197  828.862   46.723 0.8770752E-01 65.70576 
1 1 1   23   33    6 o  258.133   37.481   1.8636   0.4878   1.3162   0.7035   2.3707   0.6771  216.943   60.690  299.322   43.998 -82.37834 74.96131 
1 1 1   23   33    8 o  439.742   33.679   5.2042   0.7501   5.5957   1.0052   4.7123   1.1268  460.146   42.488  419.337   52.266 40.80936 67.35758 
1 1 1   23   33   10 o  304.403   32.207   2.4622   0.5038   2.4146   0.7183   2.5084   0.7068  301.322   46.369  307.484   44.711 -6.162079 64.41422 
1 1 1   23   33   12 o  950.824   32.332   23.895   1.5736   22.482   2.1087   25.672   2.3640  920.085   44.577  981.563   46.845 -61.47882 64.66496 
1 1 1   23   33   14 o  639.676   37.089   11.087   1.2104   10.258   1.7778   11.803   1.6527  615.088   56.218  664.263   48.392 -49.17499 74.17725 
1 1 1   23   33   16 o  337.823   38.668   3.1632   0.6470   2.6865   0.9326   3.6055   0.8984  308.568   60.948  367.079   47.605 -58.51157 77.33621 
1 1 1   23   33   18 o  442.017   36.152   5.2680   0.8199   4.8447   1.1459   5.7121   1.1737  423.194   52.667  460.840   49.540 -37.64511 72.30476 
1 1 1   23   33   20 f  322.417   39.623   2.9341   0.6255   2.1071   0.8860   3.7557   0.8831  270.370   64.620  374.463   45.870 -104.0929 79.24557 
1 1 1   23   33   22 o  292.597   38.587   2.3868   0.5606   1.7004   0.7734   3.1470   0.8139  243.004   61.771  342.191   46.263 -99.18678 77.17480 
1 1 1   23   33   24 o  252.403   45.014   1.7424   0.5685   2.3618   0.9572   1.4047   0.7067  283.967   66.696  220.839   60.470 63.12753 90.02784 
1 1 1   23   33   26 o  710.726   63.488   14.303   2.3199   0.0000   0.0000   14.303   2.3199  ?   ?   710.726   63.488      ?      ? 
1 1 1   23   33   28 f  408.742   47.743   5.1120   0.9104   4.0282   1.4781   5.7745   1.1556  358.570   81.966  458.914   48.979 -100.3441 95.48516 
1 1 1   23   33   30 o  481.787   46.945   6.3724   1.1628   6.3724   1.1628   0.0000   0.0000  481.787   46.945  ?   ?       ?      ? 
1 1 1   23   33   32 o  339.256   47.769   3.1914   0.8332   3.1914   0.8332   0.0000   0.0000  339.256   47.769  ?   ?       ?      ? 
1 1 1   23   33   34 o  443.007   48.071   5.4993   1.0949   5.4993   1.0949   0.0000   0.0000  443.007   48.071  ?   ?       ?      ? 
1 1 1   23   33   36 o  207.443   53.928   1.2434   0.6848   1.0651   0.7959   1.7514   1.3436  188.007   66.240  226.879   85.120 -38.87158 107.8567 
1 1 1   23   34    1 o  673.088   33.232   12.072   1.1459   10.891   1.6155   13.267   1.6256  638.819   49.187  707.357   44.699 -68.53857 66.46340 
1 1 1   23   34    3 o  445.368   33.879   5.2831   0.7756   5.1321   1.0871   5.4397   1.1068  438.797   48.188  451.940   47.635 -13.14212 67.75808 
1 1 1   23   34    5 f  861.643   33.567   19.815   1.4820   18.010   2.0957   21.621   2.0960  820.890   49.657  902.395   45.178 -81.50500 67.13342 
1 1 1   23   34    7 o  572.262   31.620   8.5916   0.9246   7.7238   1.2288   9.7241   1.4038  539.517   44.302  605.006   45.130 -65.48950 63.24072 
1 1 1   23   34    9 o  309.098   34.455   2.5424   0.5458   2.4102   0.7371   2.7029   0.8122  300.488   47.710  317.707   49.724 -17.21930 68.91055 
1 1 1   23   34   11 o  242.436   34.012   1.5946   0.4156   1.8906   0.6038   1.3280   0.5730  266.742   44.031  218.130   51.852 48.61237 68.02438 
1 1 1   23   34   13 o  358.959   56.298   3.5798   0.9131   3.3291   1.0591   4.3057   1.8021  343.827   62.204  374.091   93.855 -30.26395 112.5968 
1 1 1   23   34   15 o  180.182   36.056   0.8683   0.3589   0.5718   0.4851   1.2268   0.5335  150.733   51.798  209.631   50.170 -58.89810 72.11121 
1 1 1   23   34   17 o  191.671   37.221   1.0075   0.4003   0.5528   0.5615   1.4777   0.5710  153.061   55.436  230.280   49.685 -77.21918 74.44287 
1 1 1   23   34   19 o  253.295   44.006   1.8338   0.5623   1.7863   0.7323   1.9020   0.8779  250.580   57.992  256.011   66.204 -5.430603 88.01153 
1 1 1   23   34   21 o  472.712   36.191   6.0705   0.8673   4.8527   1.1968   7.4179   1.2588  420.605   55.343  524.818   46.652 -104.2134 72.38277 
1 1 1   23   34   23 o  599.722   48.494   10.466   1.4562   8.5791   2.1529   12.058   1.9770  540.600   77.461  658.843   58.365 -118.2429 96.98759 
1 1 1   23   34   25 o  108.418   46.746   0.0000   0.4738   0.0000   0.4738   0.0000   0.0000  108.418   46.746  ?   ?       ?      ? 
1 1 1   23   34   27 o  213.049   38.850   1.2973   0.4431   1.7935   0.6423   0.8466   0.6121  251.032   51.492  175.066   58.189 75.96613 77.70052 
1 1 1   23   34   29 o  228.723   44.872   1.5977   0.5474   1.3289   0.8804   1.7670   0.6988  211.469   69.761  245.976   56.456 -34.50638 89.74369 
1 1 1   23   34   31 o  396.201   59.344   4.5317   1.1643   3.0409   1.4148   7.6604   2.0495  300.032   86.784  492.369   80.965 -192.3372 118.6872 
1 1 1   23   34   33 o  267.885   72.509   2.3065   1.0230   2.3065   1.0230   0.0000   0.0000  267.885   72.509  ?   ?       ?      ? 
1 1 1   23   34   35 o  231.378   75.544   1.7865   1.0334   1.7865   1.0334   0.0000   0.0000  231.378   75.544  ?   ?       ?      ? 
1 1 1   23   35    0 o  112.338   45.611   0.4348   0.3686   0.0000   0.9722   0.5078   0.3984  110.265   71.629  114.411   56.485 0.000000 0.000000 
1 1 1   23   35    2 o  398.714   33.951   4.2427   0.6956   4.4415   0.9974   4.0545   0.9705  407.943   47.556  389.484   48.468 18.45914 67.90192 
1 1 1   23   35    4 o  360.879   38.687   3.6614   0.6643   4.9953   0.9444   2.3550   0.9347  434.241   42.303  287.517   64.785 146.7235 77.37369 
1 1 1   23   35    6 o  148.786   33.521   0.5891   0.2943   0.7145   0.3851   0.4132   0.4562  161.440   44.810  136.131   49.868 25.30916 67.04260 
1 1 1   23   35    8 o  293.257   38.646   2.3878   0.5597   2.4267   0.8258   2.3547   0.7613  294.801   56.541  291.714   52.698 3.087097 77.29142 
1 1 1   23   35   10 o  522.393   32.143   7.4019   0.8450   5.8867   1.2198   8.8000   1.1717  467.780   50.720  577.005   39.497 -109.2247 64.28524 
1 1 1   23   35   12 o  275.407   45.138   2.1653   0.6173   2.1530   0.7960   2.1839   0.9777  276.420   57.869  274.394   69.288 2.026520 90.27522 
1 1 1   23   35   14 o  331.529   36.966   3.0354   0.6086   3.2939   0.8308   2.7360   0.8941  350.859   46.057  312.199   57.833 38.65930 73.93163 
1 1 1   23   35   16 o  389.722   34.395   4.0888   0.6836   4.0772   0.9113   4.1038   1.0338  390.223   45.423  389.221   51.661 1.002350 68.79002 
1 1 1   23   35   18 o  231.894   39.908   1.5344   0.4732   1.3362   0.6753   1.7257   0.6634  216.389   59.052  247.399   53.697 -31.00946 79.81550 
1 1 1   23   35   20 f  555.968   50.226   9.3965   1.2461   7.4443   2.1521   10.381   1.5284  492.414   88.249  619.522   47.986 -127.1082 100.4513 
1 1 1   23   35   22 f  445.346   51.587   5.8679   1.1262   5.4407   1.7321   6.1807   1.4822  421.520   82.881  469.172   61.446 -47.65240 103.1741 
1 1 1   23   35   24 f  478.859   63.822   7.6038   1.4390   8.6028   1.8096   5.8855   2.3733  549.307   64.078  408.412  110.395 140.8956 127.6441 
1 1 1   23   35   26 o  363.203   36.891   3.6481   0.6863   3.2423   0.9456   4.0997   0.9976  341.011   53.935  385.396   50.347 -44.38458 73.78233 
1 1 1   23   35   28 o  111.569   31.753   0.1599   0.2855   0.3312   0.4109   0.0000   0.3970  124.017   46.952   99.122   42.762 24.89517 63.50637 
1 1 1   23   35   30 f  211.626   39.858   1.3184   0.4465   1.0522   0.6183   1.6086   0.6456  189.266   58.033  233.985   54.652 -44.71887 79.71620 
1 1 1   23   35   32 o  309.523   48.087   3.2007   0.7561   2.0351   1.2122   3.9429   0.9673  245.913   81.895  373.132   50.425 -127.2190 96.17424 
1 1 1   23   35   34 o  343.387   62.671   4.0527   1.0630   3.6265   1.2940   4.9372   1.8643  328.523   77.813  358.251   98.263 -29.72772 125.3414 
1 1 1   23   36    1 o  298.966   36.851   2.4648   0.5443   1.8800   0.7612   3.0769   0.7787  257.949   58.714  339.983   44.550 -82.03452 73.70256 
1 1 1   23   36    3 o  281.511   38.044   2.2046   0.5305   2.2164   0.7446   2.1924   0.7560  282.503   53.220  280.519   54.380 1.984192 76.08874 
1 1 1   23   36    5 o  489.128   34.766   6.4400   0.8700   5.7546   1.2333   7.1187   1.2273  461.953   51.930  516.303   46.237 -54.34961 69.53129 
1 1 1   23   36    7 o  392.230   35.712   4.1310   0.7193   4.3739   1.0478   3.9144   0.9892  403.093   50.557  381.367   50.451 21.72568 71.42358 
1 1 1   23   36    9 o  863.603   32.793   19.830   1.4508   18.579   1.9531   21.371   2.1670  833.979   45.552  893.227   47.187 -59.24792 65.58669 
1 1 1   23   36   11 o  330.704   45.549   2.9143   0.7537   1.6205   0.9685   4.9004   1.2000  237.059   72.620  424.350   55.002 -187.2912 91.09885 
1 1 1   23   36   13 o  611.725   32.163   10.205   0.9829   7.6086   1.4002   12.728   1.3800  530.167   51.370  693.282   38.716 -163.1151 64.32549 
1 1 1   23   36   15 o  390.981   35.038   4.0692   0.6913   3.1102   0.9238   5.2892   1.0420  337.960   53.169  444.001   45.648 -106.0406 70.07615 
1 1 1   23   36   17 o  423.474   39.533   4.9631   0.8532   4.5061   1.2476   5.3646   1.1693  402.825   60.240  444.123   51.211 -41.29822 79.06645 
1 1 1   23   36   19 o  240.844   48.058   1.7677   0.6463   1.1162   1.0253   2.1973   0.8326  205.455   74.835  276.232   60.314 -70.77682 96.11504 
1 1 1   23   36   21 o  187.627   42.166   0.9856   0.4741   1.2813   0.6432   0.6338   0.7015  210.890   57.665  164.363   61.536 46.52708 84.33224 
1 1 1   23   36   23 o  167.420   45.434   0.4362   0.4277   0.2886   0.4670   1.2045   1.0654  125.829   49.406  209.012   76.263 -83.18354 90.86847 
1 1 1   23   36   25 o  479.763   34.982   6.3273   0.8613   5.8876   1.1789   6.8307   1.2613  461.833   49.649  497.694   49.294 -35.86029 69.96368 
1 1 1   23   36   27 o  391.853   40.062   4.4428   0.7697   5.3500   1.0839   3.5198   1.0933  439.897   47.924  343.809   64.212 96.08704 80.12439 
1 1 1   23   36   29 o  438.435   37.926   5.5123   0.8426   5.9715   1.1388   4.9570   1.2524  463.070   47.833  413.801   58.868 49.26913 75.85139 
1 1 1   23   36   31 o  161.114   37.463   0.7341   0.3595   0.6573   0.4955   0.8194   0.5223  153.976   52.356  168.251   53.596 -14.27585 74.92512 
1 1 1   23   36   33 o  134.635   34.940   0.4448   0.3187   0.3280   0.4343   0.5811   0.4692  123.542   47.888  145.728   50.892 -22.18607 69.88037 
1 1 1   23   37    0 o  753.122   51.743   15.319   1.8528   16.874   3.2247   14.553   2.2637  773.666   83.538  732.578   61.080 0.000000 0.000000 
1 1 1   23   37    2 o  559.538   34.011   8.4021   0.9782   8.2294   1.3833   8.5748   1.3836  553.539   48.606  565.538   47.585 -11.99908 68.02118 
1 1 1   23   37    4 f  335.794   37.358   3.0929   0.6275   2.7408   0.8813   3.4547   0.8935  312.954   56.870  358.633   48.459 -45.67935 74.71636 
1 1 1   23   37    6 o  467.504   35.121   5.8659   0.8392   6.7862   1.2235   5.0484   1.1532  503.000   47.311  432.009   51.919 70.99017 70.24194 
1 1 1   23   37    8 o  172.507   36.721   0.8164   0.3566   0.9682   0.4980   0.6568   0.5109  186.241   50.664  158.773   53.168 27.46735 73.44186 
1 1 1   23   37   10 o  216.646   51.368   1.1481   0.5741   1.0159   0.6429   1.6677   1.2747  191.245   59.266  242.048   83.919 -50.80243 102.7365 
1 1 1   23   37   12 f  570.488   33.496   8.7552   0.9774   8.6988   1.3161   8.8246   1.4594  569.732   44.931  571.245   49.691 -1.513123 66.99243 
1 1 1   23   37   14 o  454.052   40.352   5.7409   0.9265   5.2154   1.3969   6.1536   1.2380  432.040   62.888  476.064   50.579 -44.02438 80.70432 
1 1 1   23   37   16 o  195.994   40.865   0.9968   0.4821   1.7258   0.7109   0.3761   0.6559  245.495   57.355  146.492   58.225 99.00388 81.72942 
1 1 1   23   37   18 o  224.313   38.985   1.5569   0.4901   2.1177   0.6171   0.5986   0.8066  280.771   42.748  167.855   65.206 112.9163 77.96938 
1 1 1   23   37   20 o  244.774   41.212   1.7309   0.5128   1.9902   0.7416   1.4934   0.7098  263.162   56.500  226.386   60.011 36.77585 82.42313 
1 1 1   23   37   22 f  307.602   50.695   2.3323   0.7078   1.7198   0.8086   4.3383   1.4633  240.517   64.197  374.686   78.478 -134.1695 101.3905 
1 1 1   23   37   24 o  246.745   43.878   1.6768   0.5517   2.5292   0.9148   1.1894   0.6917  292.049   62.792  201.441   61.304 90.60785 87.75577 
1 1 1   23   37   26 o  263.759   40.317   2.0682   0.5299   2.3033   0.7193   1.7890   0.7838  283.703   51.197  243.816   62.296 39.88661 80.63446 
1 1 1   23   37   28 o  209.390   41.455   1.3113   0.4641   1.2214   0.6420   1.4096   0.6715  202.151   58.458  216.629   58.793 -14.47719 82.90916 
1 1 1   23   37   30 o  420.631   38.960   5.0725   0.7910   3.5399   1.0590   7.0065   1.1896  341.039   62.706  500.223   46.255 -159.1841 77.92063 
1 1 1   23   38    1 o  482.399   34.795   6.2806   0.8606   5.7376   1.2121   6.8326   1.2221  460.422   51.203  504.377   47.128 -43.95502 69.59043 
1 1 1   23   38    3 o  382.325   35.245   3.9449   0.6925   4.1099   0.9908   3.7872   0.9683  390.314   49.373  374.336   50.310 15.97723 70.48985 
1 1 1   23   38    5 o  447.250   35.301   5.4003   0.8108   5.7600   1.1640   5.0613   1.1301  462.107   48.993  432.393   50.837 29.71432 70.60233 
1 1 1   23   38    7 o  322.367   45.166   2.7855   0.7486   2.7855   0.7486   0.0000   0.0000  322.367   45.166  ?   ?       ?      ? 
1 1 1   23   38    9 o  679.166   76.288   13.340   2.6638   13.340   2.6638   0.0000   0.0000  679.166   76.288  ?   ?       ?      ? 
1 1 1   23   38   11 o  568.946   42.256   8.9724   1.2346   8.7974   1.7003   9.1677   1.7957  563.849   58.653  574.042   60.845 -10.19360 84.51214 
1 1 1   23   38   13 o  459.871   39.274   5.8534   0.9141   5.6333   1.4025   6.0160   1.2053  449.328   60.712  470.415   49.837 -21.08716 78.54787 
1 1 1   23   38   15 o  146.093   37.037   0.4655   0.3474   0.3010   0.4366   0.7493   0.5734  124.714   48.107  167.472   56.328 -42.75874 74.07462 
1 1 1   23   38   17 o  202.700   40.909   1.1687   0.4458   1.3224   0.6702   1.0467   0.5971  213.737   59.036  191.664   56.648 22.07277 81.81840 
1 1 1   23   38   19 o  247.765   42.054   1.7951   0.5285   1.7304   0.7720   1.8522   0.7252  242.542   61.749  252.988   57.106 -10.44553 84.10733 
1 1 1   23   38   21 o  180.864   40.573   0.9299   0.4332   0.6799   0.6439   1.1367   0.5855  163.550   59.346  198.177   55.344 -34.62654 81.14695 
1 1 1   23   38   23 o  123.658   34.533   0.2701   0.3309   0.0000   0.5476   0.4253   0.4152  115.105   49.940  132.210   47.707 -17.10506 69.06516 
1 1 1   23   38   25 o  370.683   36.727   3.8593   0.6992   3.6403   0.9689   4.0975   1.0102  359.418   52.432  381.948   51.442 -22.53027 73.45361 
1 1 1   23   38   27 o  351.535   40.662   3.6291   0.7061   2.9227   0.9897   4.3613   1.0076  309.559   64.289  393.511   49.805 -83.95273 81.32455 
1 1 1   23   38   29 o  211.219   40.365   1.3338   0.4716   0.8114   0.6523   1.9061   0.6828  169.226   59.929  253.212   54.089 -83.98604 80.72911 
1 1 1   23   39    0 o  129.245   64.425   0.6598   0.5203   0.0000   0.0000   0.6598   0.5203  129.245   64.425  129.245   64.425 0.000000 0.000000 
1 1 1   23   39    2 o  409.331   43.808   4.6617   0.9204   5.0286   1.3213   4.3159   1.2828  425.763   60.363  392.900   63.504 32.86237 87.61541 
1 1 1   23   39    4 f  388.040   44.936   4.2044   0.8949   4.3688   1.3128   4.0617   1.2231  394.519   64.726  381.561   62.349 12.95731 89.87126 
1 1 1   23   39    6 o  271.901   71.835   2.1939   1.0192   2.1939   1.0192   0.0000   0.0000  271.901   71.835  ?   ?       ?      ? 
1 1 1   23   39    8 o  235.747   45.452   1.4746   0.5730   2.3698   0.9354   0.9368   0.7250  285.210   65.209  186.284   63.335 98.92596 90.90340 
1 1 1   23   39   10 o  267.777   37.761   2.0246   0.5007   2.0276   0.6857   2.0212   0.7327  268.762   51.499  266.792   55.239 1.970367 75.52158 
1 1 1   23   39   12 o  243.510   37.996   1.7144   0.4790   2.2668   0.6602   1.1004   0.6960  290.048   44.270  196.971   61.766 93.07640 75.99294 
1 1 1   23   39   14 o  203.539   37.997   1.1848   0.4039   1.1099   0.5711   1.2597   0.5713  197.083   54.526  209.995   52.934 -12.91199 75.99398 
1 1 1   23   39   16 o  499.404   38.897   7.0129   0.9841   5.9281   1.4222   8.0095   1.3632  458.024   60.397  540.784   49.031 -82.76053 77.79328 
1 1 1   23   39   18 o  368.045   39.603   3.8027   0.7476   3.7092   1.0848   3.8873   1.0318  362.504   58.206  373.585   53.719 -11.08102 79.20696 
1 1 1   23   39   20 o  195.696   39.180   1.1264   0.4318   0.6975   0.6417   1.4813   0.5837  164.306   59.303  227.085   51.218 -62.77898 78.35943 
1 1 1   23   39   22 o  296.741   48.657   2.5121   0.6992   3.4369   1.2177   2.0572   0.8540  332.551   73.205  260.930   64.117 71.62119 97.31365 
1 1 1   23   39   24 o  487.606   38.271   6.7645   0.9574   6.2578   1.3461   7.2830   1.3618  467.457   56.012  507.756   52.167 -40.29926 76.54214 
1 1 1   23   39   26 o  280.996   40.490   2.3908   0.5767   1.4634   0.8149   3.3216   0.8164  216.817   66.644  345.176   46.003 -128.3582 80.97971 
1 1 1   23   39   28 o  295.985   41.051   2.6450   0.6022   2.7841   0.8506   2.5053   0.8527  305.295   56.266  286.675   59.789 18.62006 82.10143 
1 1 1   23   40    1 o  264.064   39.386   1.9861   0.5179   1.8688   0.7391   2.0992   0.7259  255.415   57.650  272.713   53.681 -17.29852 78.77272 
1 1 1   23   40    3 o  604.380   35.510   9.9557   1.0987   11.104   1.5696   8.8526   1.5384  640.252   47.682  568.509   52.632 71.74274 71.01952 
1 1 1   23   40    5 o  265.736   50.940   1.8305   0.6505   1.4558   0.7556   2.9038   1.2786  223.878   62.992  307.594   80.073 -83.71632 101.8804 
1 1 1   23   40    7 o  274.807   42.144   2.1772   0.5758   2.1638   0.8608   2.1879   0.7746  272.589   62.725  277.024   56.303 -4.434906 84.28801 
1 1 1   23   40    9 f  451.413   34.549   5.5730   0.7966   5.7622   1.0806   5.3477   1.1790  461.518   45.543  441.308   51.965 20.20959 69.09756 
1 1 1   23   40   11 o  167.156   37.070   0.7643   0.3575   0.6197   0.4950   0.9218   0.5168  153.721   52.334  180.591   52.515 -26.86957 74.13943 
1 1 1   23   40   13 o  212.552   46.955   1.2955   0.5321   1.2932   0.6224   1.3018   1.0253  211.496   56.260  213.607   75.193 -2.111435 93.91020 
1 1 1   23   40   15 o  172.234   43.408   0.7837   0.5039   1.0461   0.6204   0.2751   0.8636  190.833   58.056  153.635   64.548 37.19832 86.81570 
1 1 1   23   40   17 o  203.037   42.391   1.2079   0.4719   1.1778   0.7091   1.2318   0.6321  200.735   62.248  205.339   57.561 -4.603485 84.78249 
1 1 1   23   40   19 o  360.289   40.204   3.8091   0.7033   4.3669   0.9441   3.1138   1.0541  398.640   46.065  321.939   65.905 76.70102 80.40791 
1 1 1   23   40   21 o  150.828   45.482   0.2371   0.6199   0.3924   0.7976   0.0000   0.9851  153.152   62.986  148.504   65.628 4.648087 90.96312 
1 1 1   23   40   23 o  171.663   38.749   0.8395   0.4006   0.5392   0.5788   1.1155   0.5550  148.797   55.859  194.528   53.718 -45.73155 77.49741 
1 1 1   23   40   25 f  566.135   37.350   9.1881   1.0711   7.3874   1.4826   11.154   1.5491  502.832   57.349  629.439   47.868 -126.6071 74.70064 
1 1 1   23   40   27 o  171.870   37.377   0.7759   0.4135   1.4616   0.6014   0.1612   0.5694  220.489   53.579  123.251   52.130 97.23779 74.75470 
1 1 1   23   41    0 o  308.261   66.162   2.8655   0.8637   4.4700   1.6156   2.2234   1.0221  367.580   98.922  248.942   87.886 0.000000 0.000000 
1 1 1   23   41    2 o  607.515   49.624   10.085   1.3466   9.4807   1.5458   11.987   2.7424  587.887   51.143  627.142   85.055 -39.25482 99.24760 
1 1 1   23   41    4 o  816.021   49.658   18.461   1.8272   17.549   2.1132   21.166   3.6378  799.276   51.424  832.766   84.967 -33.49023 99.31670 
1 1 1   23   41    6 o  336.995   39.866   3.2478   0.6623   2.7453   0.9710   3.6851   0.9057  306.354   63.725  367.636   47.920 -61.28220 79.73150 
1 1 1   23   41    8 o  284.404   38.100   2.5055   0.5422   3.8796   0.7446   0.9549   0.7910  381.099   38.003  187.709   66.047 193.3897 76.20058 
1 1 1   23   41   10 o  165.149   33.308   0.7063   0.3343   0.1990   0.4644   1.2519   0.4816  119.330   48.449  210.968   45.722 -91.63878 66.61670 
1 1 1   23   41   12 o  215.052   40.979   1.4351   0.4801   0.8383   0.8066   1.7625   0.5975  180.118   66.261  249.986   48.235 -69.86806 81.95830 
1 1 1   23   41   14 o  615.212   38.146   10.924   1.1410   9.2649   1.8449   11.951   1.4520  566.668   63.324  663.756   42.549 -97.08801 76.29120 
1 1 1   23   41   16 o  281.318   35.764   2.2320   0.5058   2.3550   0.7124   2.1070   0.7181  292.276   47.410  270.359   53.560 21.91635 71.52846 
1 1 1   23   41   18 o  438.543   36.165   5.3545   0.8123   5.0264   1.0921   5.7608   1.2152  424.355   50.057  452.731   52.209 -28.37570 72.32923 
1 1 1   23   41   20 o  284.616   58.288   2.4554   0.8191   2.1325   0.9512   3.3818   1.6111  260.818   69.632  308.414   93.495 -47.59671 116.5761 
1 1 1   23   41   22 o  256.037   38.598   1.9738   0.5412   3.2845   0.7739   0.7198   0.7570  344.621   43.681  167.453   63.650 177.1678 77.19686 
1 1 1   23   41   24 o  152.275   37.655   0.6309   0.3636   0.7270   0.5316   0.5463   0.4985  160.048   54.233  144.502   52.252 15.54619 75.30939 
1 1 1   23   42    1 o  342.010   68.715   3.8602   1.3507   2.2393   1.8366   5.7696   1.9934  265.201   99.513  418.818   94.785 -153.6169 137.4302 
1 1 1   23   42    3 o  369.388   53.390   3.7500   0.8567   4.9431   1.8128   3.4070   0.9721  388.814   92.103  349.961   54.026 38.85339 106.7792 
1 1 1   23   42    5 o  321.668   52.255   3.2883   0.8021   2.6909   1.5011   3.5270   0.9490  286.298   90.828  357.039   51.697 -70.74188 104.5096 
1 1 1   23   42    7 o  255.913   51.863   1.9594   0.6638   2.0769   1.2989   1.9179   0.7722  256.137   84.746  255.689   59.809 0.4478302 103.7254 
1 1 1   23   42    9 o  275.328   43.436   2.3238   0.6175   1.4981   0.9389   2.9535   0.8199  223.159   71.942  327.498   48.692 -104.3396 86.87142 
1 1 1   23   42   11 o  725.271   38.575   14.656   1.4266   15.705   2.1866   13.879   1.8823  744.719   57.110  705.823   51.871 38.89594 77.15046 
1 1 1   23   42   13 o  270.905   41.497   2.3830   0.5877   1.0644   0.9281   3.2659   0.7594  195.465   71.199  346.346   42.648 -150.8814 82.99473 
1 1 1   23   42   15 o  272.034   38.134   2.0957   0.5214   2.8102   0.7798   1.5180   0.7012  318.519   47.616  225.550   59.579 92.96916 76.26875 
1 1 1   23   42   17 o  188.962   39.045   1.0361   0.4114   0.7699   0.5718   1.3217   0.5923  166.066   56.247  211.858   54.170 -45.79251 78.09032 
1 1 1   23   42   19 o  270.043   65.896   2.5441   1.1320   1.8153   1.5304   3.4248   1.6822  234.938   90.211  305.149   96.080 -70.21126 131.7930 
1 1 1   23   42   21 o  191.163   40.489   1.0648   0.4313   0.8233   0.5716   1.3843   0.6574  168.880   56.233  213.447   58.268 -44.56786 80.97752 
1 1 1   23   42   23 o  192.551   42.156   1.1337   0.4597   1.1694   0.6670   1.1015   0.6346  195.027   60.350  190.076   58.875 4.950760 84.31113 
1 1 1   23   43    0 f   99.489   43.439   0.2619   0.3915   0.3297   0.4392   0.0000   0.8634   96.620   55.482  102.358   66.854 -0.000000 0.000000 
1 1 1   23   43    2 o  261.229   50.790   2.2978   0.6954   1.1339   1.5763   2.5791   0.7749  216.900   88.797  305.557   49.329 -88.65681 101.5790 
1 1 1   23   43    4 f  234.021   48.848   1.2097   0.5440   2.7776   1.2164   0.8177   0.6082  296.009   78.608  172.033   58.010 123.9760 97.69588 
1 1 1   23   43    6 o  386.064   56.779   5.0656   0.9955   3.7589   1.8798   5.5748   1.1736  324.431  101.469  447.696   50.986 -123.2654 113.5584 
1 1 1   23   43    8 o  402.908   49.775   4.3758   0.9197   6.2760   1.7871   3.6912   1.0726  445.940   80.926  359.876   57.974 86.06393 99.54911 
1 1 1   23   43   10 o  138.376   35.321   0.4741   0.3222   0.5064   0.4429   0.4377   0.4695  140.481   49.422  136.271   50.476 4.209854 70.64245 
1 1 1   23   43   12 o  161.247   35.566   0.6414   0.3680   1.2163   0.5364   0.1301   0.5059  204.644   51.130  117.851   49.452 86.79275 71.13187 
1 1 1   23   43   14 o  196.688   39.381   1.1382   0.4163   1.2407   0.6057   1.0464   0.5732  204.646   55.959  188.730   55.427 15.91679 78.76221 
1 1 1   23   43   16 o  197.721   39.577   1.1669   0.4223   1.0462   0.6142   1.2751   0.5816  187.912   57.878  207.529   53.995 -19.61609 79.15347 
1 1 1   23   43   18 o  304.330   60.721   3.1354   0.9203   3.0223   1.0696   3.4580   1.8064  309.764   68.935  298.895   99.979 10.86957 121.4411 
1 1 1   23   43   20 o  257.352   41.069   2.0254   0.5502   2.6031   0.7702   1.4230   0.7864  302.199   49.570  212.505   65.496 89.69348 82.13898 
1 1 1   23   44    1 o  121.746   37.418   0.0916   0.3480   0.0000   0.8375   0.1107   0.3826  138.930   60.987  104.561   43.372 34.36947 74.83680 
1 1 1   23   44    3 o  286.145   40.824   2.3990   0.5885   2.9950   0.8358   1.8133   0.8286  328.012   49.564  244.278   64.883 83.73357 81.64765 
1 1 1   23   44    5 o  163.765   37.667   0.7485   0.3739   0.5095   0.5521   0.9509   0.5083  146.158   54.617  181.372   51.887 -35.21303 75.33422 
1 1 1   23   44    7 o  195.119   40.710   1.1112   0.4370   1.2831   0.6449   0.9653   0.5941  207.865   58.096  182.372   57.044 25.49251 81.41966 
1 1 1   23   44    9 o  200.706   38.520   1.1792   0.4082   1.0482   0.5603   1.3273   0.5959  189.111   54.589  212.300   54.361 -23.18855 77.03976 
1 1 1   23   44   11 o  374.190   39.837   4.1084   0.7325   4.7496   1.0124   3.4042   1.0611  412.629   47.724  335.752   63.800 76.87756 79.67494 
1 1 1   23   44   13 o  314.384   35.887   2.8150   0.5653   3.1624   0.8205   2.5012   0.7799  336.239   47.464  292.529   53.839 43.71048 71.77342 
1 1 1   23   44   15 o  232.573   39.658   1.6233   0.4688   1.6664   0.6601   1.5795   0.6658  236.145   55.339  229.001   56.820 7.144272 79.31562 
1 1 1   23   44   17 o  666.883   43.982   13.185   1.4970   11.738   1.9788   15.121   2.2890  625.787   61.505  707.978   62.887 -82.19098 87.96391 
1 1 1   23   45    0 o  280.794   61.789   3.4890   0.9743   4.3951   1.1525   1.2203   1.8237  387.826   62.720  173.762  106.478 -0.000000 0.000000 
1 1 1   23   45    2 o  243.884   38.863   1.7550   0.5301   0.6702   0.7416   2.8877   0.7579  164.803   62.914  322.966   45.642 -158.1631 77.72617 
1 1 1   23   45    4 o  350.590   39.558   3.5907   0.6869   3.1078   0.9933   4.0333   0.9509  321.551   62.333  379.629   48.721 -58.07831 79.11516 
1 1 1   23   45    6 o  307.403   42.273   2.8808   0.6433   2.1439   0.9504   3.5039   0.8739  260.819   69.586  353.986   48.020 -93.16684 84.54639 
1 1 1   23   45    8 o  221.617   42.934   1.5362   0.5237   1.0307   0.7948   1.9240   0.6962  187.955   66.199  255.280   54.690 -67.32513 85.86765 
1 1 1   23   45   10 o  182.826   39.615   0.9836   0.4200   1.2627   0.5869   0.6908   0.6011  205.798   54.579  159.854   57.434 45.94324 79.23063 
1 1 1   23   45   12 o  190.844   40.891   1.0353   0.4496   1.5477   0.6861   0.6498   0.5951  225.409   58.644  156.278   57.002 69.13106 81.78223 
1 1 1   23   45   14 o  500.894   34.783   7.1860   0.8876   6.3595   1.2791   7.9538   1.2327  468.965   53.050  532.823   45.001 -63.85864 69.56577 
1 1 1   23   46    1 o  217.477   41.737   1.4383   0.4815   1.2545   0.6827   1.6201   0.6792  203.060   60.703  231.894   57.298 -28.83380 83.47397 
1 1 1   23   46    3 o  177.935   38.610   0.8921   0.4232   1.4047   0.5966   0.3729   0.6004  217.339   53.700  138.531   55.492 78.80795 77.22096 
1 1 1   23   46    5 o  299.781   41.711   2.6589   0.6282   3.3860   0.9279   2.0434   0.8537  343.717   52.508  255.845   64.823 87.87253 83.42140 
1 1 1   23   46    7 o  121.929   34.130   0.2848   0.3145   0.2915   0.4845   0.2800   0.4135  125.067   49.936  118.792   46.539 6.275055 68.26025 
1 1 1   23   46    9 o  159.837   37.731   0.6831   0.3997   0.2052   0.5809   1.1128   0.5508  126.875   53.100  192.800   53.617 -65.92488 75.46104 
1 1 1   23   46   11 o  237.426   41.388   1.7274   0.5029   1.5533   0.6981   1.9154   0.7252  224.105   59.565  250.747   57.480 -26.64264 82.77634 
1 1 1   23   47    0 o  161.007   62.616   0.8750   0.6301   1.8908   1.3754   0.6052   0.7089  198.704  103.415  123.311   70.629 0.000000 0.000000 
1 1 1   23   47    2 o  239.361   43.117   1.7577   0.5358   2.1706   0.7952   1.4143   0.7252  266.006   59.618  212.717   62.306 53.28810 86.23423 
1 1 1   23   47    4 o  309.980   42.964   2.9443   0.6601   3.0103   0.9468   2.8819   0.9207  313.260   60.980  306.701   60.541 6.558289 85.92830 
1 1 1   24    0    0 o  1800.33   71.715   83.974   6.6140   0.0000   0.0000   83.974   6.6140  1800.33   71.715  1800.33   71.715 -0.000000 0.000000 
1 1 1   24    0    2 o  671.226   52.645   12.077   1.7595   12.068   2.4998   12.086   2.4771  670.820   74.869  671.633   74.031 0.000000 0.000000 
1 1 1   24    0    4 o  2307.75   66.667  137.997   7.8949   0.0000   0.0000  137.997   7.8949  2307.75   66.667  2307.75   66.667 0.000000 0.000000 
1 1 1   24    0    6 o  2609.32   62.644  176.190   8.3928  176.190   8.3928   0.0000   0.0000  2609.32   62.644  2609.32   62.644 -0.000000 0.000000 
1 1 1   24    0    8 o  1549.98   47.773   63.080   3.6905   65.374   4.7632   59.635   5.8376  1587.99   58.522  1511.97   75.527 -0.000000 0.000000 
1 1 1   24    0   10 o  1247.80   45.819   39.925   2.8442   43.368   4.6579   37.878   3.5915  1288.70   70.791  1206.90   58.189 0.000000 0.000000 
1 1 1   24    0   12 o  784.076   46.246   16.008   1.7928   15.239   2.2818   17.247   2.8981  761.219   59.124  806.933   71.127 -0.000000 0.000000 
1 1 1   24    0   14 o  1024.85   44.099   26.785   2.2689   31.421   3.6137   23.768   2.9151  1096.39   64.622  953.304   60.023 0.000000 0.000000 
1 1 1   24    0   16 o  875.511   46.634   20.675   2.0051   17.714   3.0914   22.825   2.6343  816.057   75.147  934.965   55.244 0.000000 0.000000 
1 1 1   24    0   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   20 o  624.149   45.178   10.429   1.4034   10.509   1.8909   10.330   2.0940  628.428   59.767  619.870   67.764 -0.000000 0.000000 
1 1 1   24    0   22 o  827.083   42.979   18.042   1.8007   18.131   2.6390   17.963   2.4632  828.321   62.798  825.845   58.695 0.000000 0.000000 
1 1 1   24    0   24 o  719.882   43.887   13.842   1.5875   12.807   2.2971   14.787   2.1964  691.930   65.948  747.833   57.924 0.000000 0.000000 
1 1 1   24    0   26 o  171.391   53.469   1.1112   0.5052   1.2618   0.6843   0.9307   0.7491  187.610   73.884  155.172   77.310 -0.000000 0.000000 
1 1 1   24    0   28 f  100.922   41.833   0.2173   0.3656   0.5774   0.5960  -0.0000   0.4630  124.308   67.069   77.535   50.017 0.000000 0.000000 
1 1 1   24    0   30 o  136.205   50.278   0.7088   0.4630   0.8079   0.6612   0.6136   0.6484  144.259   72.486  128.150   69.695 0.000000 0.000000 
1 1 1   24    0   32 o   90.690   54.693   0.2156   0.4649   0.0000   0.0000   0.2156   0.4649   90.690   54.693   90.690   54.693 0.000000 0.000000 
1 1 1   24    0   34 o   84.990   37.207   0.1409   0.3224   0.2246   0.4072   0.0000   0.5280   87.598   51.986   82.381   53.243 0.000000 0.000000 
1 1 1   24    0   36 o  126.004   48.119   0.6013   0.4400   0.7173   0.6078   0.4737   0.6377  135.276   69.151  116.731   66.932 -0.000000 0.000000 
1 1 1   24    0   38 o  412.973   55.574   5.0602   1.0167   3.7748   1.4019   6.4861   1.4765  342.748   92.060  483.197   62.280 -0.000000 0.000000 
1 1 1   24    0   40 o  243.670   58.155   2.1647   0.7253   2.9093   0.9923   1.3108   1.0627  308.670   71.912  178.669   91.415 -0.000000 0.000000 
1 1 1   24    0   42 o  206.156   87.954   1.6532   0.9497   0.0000   0.0000   1.6532   0.9497  206.156   87.954  206.156   87.954 -0.000000 0.000000 
1 1 1   24    0   44 o  237.443   57.490   2.0612   0.6754   2.6118   0.9284   1.4423   0.9843  288.157   72.453  186.728   89.279 -0.000000 0.000000 
1 1 1   24    0   46 o  281.755   58.395   2.7051   0.7510   3.3178   1.0740   2.1188   1.0507  327.898   72.900  235.613   91.245 0.000000 0.000000 
1 1 1   24    0   48 f  288.606   84.120   2.8347   1.0837   0.0000   0.0000   2.8347   1.0837  288.606   84.120  288.606   84.120 -0.000000 0.000000 
1 1 1   24    0   50 o   71.005   46.179   0.0000   0.4057   0.0000   0.0000   0.0000   0.4057   71.005   46.179   71.005   46.179 -0.000000 0.000000 
1 1 1   24    1    1 o  535.920   36.113   7.4322   0.9945   7.1378   1.4044   7.7282   1.4084  525.211   52.010  546.628   50.115 -21.41772 72.22549 
1 1 1   24    1    3 o  820.224   49.141   17.551   2.0588   20.003   2.9304   15.161   2.8930  877.569   64.950  762.879   73.761 114.6902 98.28111 
1 1 1   24    1    5 o  198.780   44.749   1.0076   0.5168   0.8826   0.7597   1.1153   0.7050  191.339   64.834  206.222   61.697 -14.88268 89.49867 
1 1 1   24    1    7 o  1055.80   32.927   28.818   1.7870   28.570   2.5431   29.059   2.5116  1051.26   47.053  1060.34   46.073 -9.073608 65.85385 
1 1 1   24    1    9 o  507.402   32.804   6.6624   0.8549   6.3764   1.2156   6.9422   1.2026  496.540   47.619  518.263   45.132 -21.72226 65.60861 
1 1 1   24    1   11 o  1510.18   31.352   58.962   2.4341   58.397   3.4497   59.523   3.4350  1502.91   44.645  1517.45   44.029 -14.54529 62.70373 
1 1 1   24    1   13 o  1407.11   31.081   51.209   2.2475   52.966   3.1825   49.461   3.1746  1431.32   43.247  1382.89   44.651 48.42957 62.16103 
1 1 1   24    1   15 o  486.796   31.999   6.1689   0.7938   7.0921   1.1215   5.2419   1.1238  523.762   41.647  449.829   48.593 73.93347 63.99778 
1 1 1   24    1   17 o  1979.14   43.360  102.726   4.3567   98.042   6.6209  106.303   5.7858  1936.66   66.495  2021.63   55.666 -84.96936 86.71999 
1 1 1   24    1   19 o  981.953   43.016   24.988   2.1588   23.378   2.8697   27.087   3.2766  946.301   58.985  1017.60   62.628 -71.30426 86.03233 
1 1 1   24    1   21 o  299.357   33.940   2.3686   0.5081   2.6607   0.7245   2.0858   0.7129  320.096   44.024  278.619   51.667 41.47647 67.87924 
1 1 1   24    1   23 o  1127.27   29.564   33.007   1.7124   31.493   2.4023   34.571   2.4417  1100.81   42.446  1153.73   41.164 -52.91602 59.12846 
1 1 1   24    1   25 o  323.160   34.186   2.7926   0.5385   2.0274   0.7473   3.6190   0.7766  273.264   55.094  373.056   40.490 -99.79211 68.37242 
1 1 1   24    1   27 o  475.940   30.973   5.9226   0.7537   5.1563   1.0541   6.7242   1.0781  443.986   46.180  507.895   41.288 -63.90875 61.94612 
1 1 1   24    1   29 o  430.611   30.807   4.8623   0.6806   5.1633   0.9565   4.5535   0.9687  444.433   41.862  416.790   45.208 27.64291 61.61322 
1 1 1   24    1   31 o  196.197   63.400   1.0156   0.7288   1.0156   0.7288   0.0000   0.0000  196.197   63.400  ?   ?       ?      ? 
1 1 1   24    1   33 o  525.899   38.468   7.4527   0.9705   7.1873   1.6903   7.5833   1.1854  515.140   63.820  536.658   42.965 -21.51855 76.93519 
1 1 1   24    1   35 o  330.072   32.196   2.8890   0.5463   2.8729   0.7756   2.9048   0.7697  329.095   45.840  331.050   45.221 -1.954651 64.39151 
1 1 1   24    1   37 o  553.313   31.117   8.1319   0.8852   8.1988   1.2498   8.0645   1.2538  555.703   43.745  550.922   44.266 4.780457 62.23401 
1 1 1   24    1   39 o  269.201   35.555   2.0135   0.4749   2.5672   0.6737   1.4665   0.6695  310.810   42.157  227.592   57.266 83.21858 71.11005 
1 1 1   24    1   41 o  519.944   40.129   7.2517   1.0133   7.9887   1.7777   6.8970   1.2333  533.966   64.756  505.921   47.414 28.04453 80.25890 
1 1 1   24    1   43 o  259.546   68.076   1.9995   0.9197   1.9995   0.9197   0.0000   0.0000  259.546   68.076  ?   ?       ?      ? 
1 1 1   24    1   45 o  203.215   39.878   1.0359   0.4192   0.6933   0.5058   1.7872   0.7491  159.703   52.888  246.726   59.699 -87.02368 79.75613 
1 1 1   24    1   47 o  349.449   42.240   3.5001   0.6873   3.3934   0.8303   3.7322   1.2247  350.745   46.045  348.153   70.829 2.591858 84.48022 
1 1 1   24    1   49 o  298.175   51.467   2.8562   0.7904   3.5124   1.1511   2.2707   1.0873  334.375   69.238  261.974   76.168 72.40137 102.9342 
1 1 1   24    2    0 o  382.834   56.832   4.0217   1.0461   0.0000   0.0000   4.0217   1.0461  382.834   56.832  382.834   56.832 -0.000000 0.000000 
1 1 1   24    2    2 o  387.706   36.716   3.9074   0.7271   4.4077   1.0265   3.4036   1.0300  412.895   48.355  362.517   55.264 50.37836 73.43272 
1 1 1   24    2    4 o  515.214   50.735   7.0076   1.2854   8.8736   1.8709   5.3393   1.7690  584.720   62.234  445.708   80.144 139.0115 101.4701 
1 1 1   24    2    6 o  238.352   46.847   1.5259   0.5972   1.3430   0.8736   1.6863   0.8182  226.637   68.879  250.068   63.515 -23.43105 93.69312 
1 1 1   24    2    8 o  947.639   32.624   23.259   1.5863   22.135   2.2780   24.316   2.2102  925.175   47.891  970.102   44.315 -44.92645 65.24813 
1 1 1   24    2   10 o  362.363   33.394   3.4043   0.6185   3.8620   0.8815   2.9603   0.8682  386.546   44.355  338.179   49.933 48.36667 66.78828 
1 1 1   24    2   12 o  589.176   32.151   8.9800   0.9725   9.6213   1.3860   8.3583   1.3648  609.996   44.194  568.357   46.707 41.63922 64.30131 
1 1 1   24    2   14 o  1605.94   41.458   68.521   3.0796   63.493   5.6761   70.618   3.6661  1559.30   70.803  1652.59   43.149 -93.28723 82.91517 
1 1 1   24    2   16 o  696.335   43.362   12.504   1.5396   13.597   2.3665   11.702   2.0272  722.081   63.746  670.589   58.800 51.49170 86.72350 
1 1 1   24    2   18 o  202.530   33.690   1.1004   0.3767   1.6994   0.5258   0.4686   0.5400  256.268   39.905  148.792   54.293 107.4762 67.38080 
1 1 1   24    2   20 o  504.145   44.777   6.5501   1.1507   5.7632   1.5143   7.6253   1.7701  468.995   62.801  539.294   63.843 -70.29865 89.55407 
1 1 1   24    2   22 o  573.471   30.541   8.5431   0.8947   7.3117   1.2422   9.8703   1.2897  530.193   45.571  616.749   40.672 -86.55554 61.08146 
1 1 1   24    2   24 o  917.414   29.979   21.997   1.4060   24.335   1.9710   19.575   2.0061  967.966   39.606  866.862   45.013 101.1046 59.95729 
1 1 1   24    2   26 o  847.987   29.652   18.737   1.2925   18.891   1.8130   18.577   1.8430  851.687   41.404  844.288   42.459 7.398804 59.30451 
1 1 1   24    2   28 o  427.006   30.514   4.7637   0.6697   4.5888   0.9386   4.9450   0.9557  418.958   43.576  435.053   42.728 -16.09528 61.02875 
1 1 1   24    2   30 o  260.940   43.695   1.8642   0.6208   0.9706   0.8762   2.7649   0.8797  198.631   69.534  323.249   52.933 -124.6181 87.38920 
1 1 1   24    2   32 o  566.958   36.989   8.3591   1.0107   8.0322   1.2218   9.0676   1.7988  552.759   42.994  581.158   60.202 -28.39886 73.97865 
1 1 1   24    2   34 o  461.372   31.256   5.6322   0.7379   6.3069   1.0519   4.9784   1.0355  489.276   41.818  433.468   46.464 55.80762 62.51123 
1 1 1   24    2   36 o  392.358   32.601   4.0849   0.6507   4.9163   0.9477   3.3433   0.8950  430.967   42.772  353.750   49.213 77.21735 65.20238 
1 1 1   24    2   38 o  587.803   31.496   9.2014   0.9518   9.1174   1.3482   9.2849   1.3438  584.997   44.826  590.609   44.255 -5.612183 62.99132 
1 1 1   24    2   40 o  674.349   32.588   12.383   1.1032   15.146   1.5478   9.5287   1.5729  755.585   39.843  593.114   51.581 162.4706 65.17696 
1 1 1   24    2   42 o  428.283   46.697   4.9528   1.0282   4.9528   1.0282   0.0000   0.0000  428.283   46.697  ?   ?       ?      ? 
1 1 1   24    2   44 o  351.069   49.521   3.6822   0.8604   3.8208   1.1788   3.5242   1.2586  361.007   65.940  341.131   73.899 19.87619 99.04118 
1 1 1   24    2   46 o  138.467   36.303   0.4553   0.3368   0.5270   0.4101   0.3067   0.5902  141.153   47.635  135.780   54.796 5.373123 72.60661 
1 1 1   24    2   48 o  244.946   40.467   1.9835   0.5242   2.5218   0.6478   0.9619   0.8923  303.502   41.512  186.390   69.476 117.1115 80.93320 
1 1 1   24    2   50 o  207.001   42.042   1.3065   0.4520   1.2928   0.5469   1.3361   0.8030  208.342   51.383  205.659   66.557 2.683182 84.08387 
1 1 1   24    3    1 o  162.311   36.606   0.6659   0.3442   0.6997   0.4984   0.6350   0.4759  165.680   52.314  158.942   51.217 6.737869 73.21178 
1 1 1   24    3    3 o  897.440   44.545   21.893   1.8808   18.304   3.2668   23.672   2.3002  837.852   75.838  957.028   46.749 -119.1760 89.08920 
1 1 1   24    3    5 f  529.400   46.218   7.2759   1.2526   7.3509   1.8632   7.2140   1.6920  531.639   68.167  527.161   62.431 4.478516 92.43552 
1 1 1   24    3    7 o  257.108   42.835   1.7984   0.5328   1.6858   0.9313   1.8531   0.6496  250.829   69.711  263.387   49.795 -12.55820 85.66914 
1 1 1   24    3    9 o  351.657   33.583   3.2059   0.6057   3.0277   0.8699   3.3737   0.8439  342.057   49.467  361.257   45.436 -19.20047 67.16672 
1 1 1   24    3   11 o  2392.64   31.575  148.005   3.8836  149.042   5.5422  147.004   5.4436  2400.80   44.901  2384.49   44.404 16.31372 63.14925 
1 1 1   24    3   13 o  971.802   39.941   23.696   1.8318   26.592   3.4211   22.532   2.1689  1010.33   65.863  933.277   45.202 77.04968 79.88219 
1 1 1   24    3   15 o  1174.42   35.138   35.305   2.0581   33.996   2.5898   37.550   3.3907  1146.28   43.945  1202.55   54.842 -56.27209 70.27677 
1 1 1   24    3   17 o  1948.57   30.301   98.440   3.0313  102.508   4.2402   94.187   4.3352  1990.26   41.439  1906.89   44.219 83.36841 60.60123 
1 1 1   24    3   19 o  455.876   36.385   5.3831   0.8147   5.3268   1.0103   5.4879   1.3777  453.271   43.353  458.481   58.445 -5.210388 72.76917 
1 1 1   24    3   21 o  208.087   47.821   1.1186   0.5908   1.3158   0.7602   0.8181   0.9386  221.233   63.507  194.941   71.513 26.29196 95.64148 
1 1 1   24    3   23 o  275.226   34.858   2.0454   0.4717   1.4083   0.6603   2.7097   0.6743  227.421   56.674  323.030   40.598 -95.60896 69.71520 
1 1 1   24    3   25 o  297.694   35.019   2.3894   0.5148   2.7812   0.7126   1.9620   0.7444  326.827   42.411  268.561   55.738 58.26544 70.03864 
1 1 1   24    3   27 o  967.784   29.640   24.412   1.4742   23.731   2.0514   25.139   2.1200  953.871   41.830  981.698   42.005 -27.82697 59.27999 
1 1 1   24    3   29 o  139.094   35.227   0.4410   0.3238   0.1852   0.5482   0.5781   0.4012  129.111   52.556  149.076   46.921 -19.96559 70.45399 
1 1 1   24    3   31 o  414.795   31.692   4.5543   0.6685   5.3134   0.9456   3.7960   0.9451  450.369   40.838  379.220   48.476 71.14932 63.38490 
1 1 1   24    3   33 o  562.255   43.438   8.5410   1.2541   8.9958   1.7711   8.0838   1.7760  578.068   59.594  546.443   63.215 31.62476 86.87668 
1 1 1   24    3   35 o  344.300   35.534   3.2790   0.5821   2.1137   0.8126   4.5073   0.8343  274.712   59.274  413.888   39.207 -139.1763 71.06745 
1 1 1   24    3   37 o  597.957   31.673   9.5127   0.9714   10.362   1.3857   8.6922   1.3620  624.939   43.130  570.975   46.396 53.96387 63.34635 
1 1 1   24    3   39 o  518.308   32.318   7.1763   0.8542   8.4175   1.2351   6.0385   1.1826  562.503   42.709  474.112   48.515 88.39096 64.63609 
1 1 1   24    3   41 o  735.887   64.064   15.156   2.4238   15.156   2.4238   0.0000   0.0000  735.887   64.064  ?   ?       ?      ? 
1 1 1   24    3   43 o  635.876   38.219   10.859   1.1933   10.182   1.4660   12.188   2.0544  612.929   46.520  658.822   60.652 -45.89252 76.43784 
1 1 1   24    3   45 o  285.720   42.292   2.2933   0.5788   2.0670   0.7135   2.7290   0.9898  268.642   53.536  302.797   65.487 -34.15585 84.58485 
1 1 1   24    3   47 o  136.761   36.189   0.3858   0.3261   0.2686   0.3960   0.6328   0.5747  117.469   45.672  156.054   56.148 -38.58488 72.37794 
1 1 1   24    3   49 o  242.159   40.616   1.9916   0.5575   2.7281   0.6947   0.6594   0.9344  313.900   43.049  170.417   68.887 143.4821 81.23163 
1 1 1   24    4    0 o  797.659   51.745   16.615   2.1016   0.0000   0.0000   16.615   2.1016  797.659   51.745  797.659   51.745 -0.000000 0.000000 
1 1 1   24    4    2 o  994.856   35.087   25.603   1.7943   25.214   2.5470   25.986   2.5281  987.283   50.179  1002.43   49.054 -15.14618 70.17342 
1 1 1   24    4    4 o  459.641   47.509   5.4309   1.1149   6.4110   1.6713   4.6450   1.4966  496.718   65.445  422.563   68.887 74.15469 95.01834 
1 1 1   24    4    6 o  795.716   44.631   16.587   1.8005   15.457   2.7292   17.458   2.3958  770.731   68.876  820.701   56.780 -49.97009 89.26258 
1 1 1   24    4    8 o  895.307   32.484   20.777   1.4901   19.915   2.1711   21.545   2.0489  877.458   48.126  913.156   43.643 -35.69739 64.96784 
1 1 1   24    4   10 o  1241.66   42.083   39.411   2.4073   41.446   4.6146   38.649   2.8217  1260.67   71.197  1222.66   44.889 38.01270 84.16670 
1 1 1   24    4   12 o  1142.00   46.127   34.720   2.6078   30.816   4.1629   37.241   3.3455  1085.74   74.576  1198.26   54.306 -112.5217 92.25367 
1 1 1   24    4   14 o  1219.45   36.414   39.341   2.1859   41.591   2.7692   35.621   3.5606  1268.31   42.468  1170.60   59.163 97.70508 72.82700 
1 1 1   24    4   16 o  750.959   36.722   15.039   1.3436   16.045   1.6873   13.296   2.2212  787.539   41.672  714.380   60.477 73.15869 73.44366 
1 1 1   24    4   18 o  1022.55   30.224   27.107   1.5870   27.505   2.2009   26.676   2.2905  1030.60   41.538  1014.51   43.914 16.08588 60.44715 
1 1 1   24    4   20 o  578.290   30.447   8.7095   0.9017   9.3018   1.2527   8.0726   1.2990  599.059   40.673  557.521   45.318 41.53821 60.89330 
1 1 1   24    4   22 o  397.589   50.540   4.3397   0.9801   4.6758   1.2727   3.8499   1.5365  422.274   58.624  372.904   82.342 49.36929 101.0794 
1 1 1   24    4   24 o  144.960   34.689   0.5113   0.3075   0.4971   0.4283   0.5265   0.4416  143.245   48.681  146.676   49.431 -3.431061 69.37789 
1 1 1   24    4   26 o  777.625   36.727   15.892   1.3949   15.805   2.3703   15.939   1.7253  773.440   59.608  781.810   42.923 -8.370117 73.45451 
1 1 1   24    4   28 o  289.150   42.206   2.4107   0.5894   1.7626   0.9807   2.7772   0.7375  252.483   72.022  325.818   44.026 -73.33482 84.41275 
1 1 1   24    4   30 o  787.255   37.664   16.759   1.4187   17.440   1.7395   15.406   2.4521  816.225   41.451  758.285   62.898 57.94006 75.32838 
1 1 1   24    4   32 o  154.592   35.379   0.6206   0.3221   0.5296   0.4849   0.6925   0.4309  148.375   51.741  160.809   48.266 -12.43394 70.75853 
1 1 1   24    4   34 o  530.506   37.114   7.1248   0.9642   8.8571   1.7014   6.3052   1.1702  573.362   57.717  487.650   46.676 85.71167 74.22840 
1 1 1   24    4   36 o  184.385   35.040   0.9288   0.3550   0.5549   0.4986   1.3131   0.5055  150.443   52.465  218.327   46.460 -67.88338 70.07959 
1 1 1   24    4   38 o  202.146   39.476   1.2410   0.4739   1.7273   0.5799   0.2627   0.8225  250.655   46.717  153.636   63.647 97.01883 78.95197 
1 1 1   24    4   40 o  368.454   49.727   4.0067   0.9179   6.3145   1.3321   1.9204   1.2665  481.607   53.797  255.302   83.647 226.3048 99.45319 
1 1 1   24    4   42 o  320.475   44.554   3.0579   0.6604   3.2752   0.7979   2.5852   1.1769  348.956   44.472  291.995   77.216 56.96127 89.10716 
1 1 1   24    4   44 o  181.670   43.221   0.8798   0.4871   0.5961   0.6684   1.2011   0.7114  159.719   60.014  203.621   62.214 -43.90236 86.44256 
1 1 1   24    4   46 o  351.483   43.963   3.6667   0.7086   3.7705   0.8566   3.4418   1.2610  371.141   44.894  331.824   75.602 39.31689 87.92673 
1 1 1   24    4   48 o  362.768   52.497   4.2445   0.9619   5.4954   1.3451   2.9355   1.3760  433.146   60.403  292.390   85.879 140.7562 104.9940 
1 1 1   24    4   50 o  248.958   50.941   2.0513   0.6892   2.0652   0.9777   2.0375   0.9718  249.747   72.115  248.168   71.966 1.579285 101.8811 
1 1 1   24    5    1 o  992.379   44.406   25.531   2.1269   25.463   2.5937   25.670   3.7162  992.046   50.854  992.711   72.812 -0.6652222 88.81294 
1 1 1   24    5    3 o  776.287   70.439   15.686   2.8113   15.686   2.8113   0.0000   0.0000  776.287   70.439  ?   ?       ?      ? 
1 1 1   24    5    5 o  1300.08   67.591   43.959   4.5178   43.959   4.5178   0.0000   0.0000  1300.08   67.591  ?   ?       ?      ? 
1 1 1   24    5    7 o  1413.27   43.946   51.607   3.1931   0.0000   0.0000   51.607   3.1931  ?   ?   1413.27   43.946      ?      ? 
1 1 1   24    5    9 o  544.533   45.370   8.0349   1.1065   7.0333   2.1112   8.4142   1.2992  518.517   79.196  570.549   44.290 -52.03186 90.73960 
1 1 1   24    5   11 f  602.318   45.081   9.3508   1.3626   9.8443   2.2027   9.0448   1.7343  614.356   69.737  590.281   57.147 24.07495 90.16108 
1 1 1   24    5   13 o  426.622   36.910   4.7098   0.7927   4.6746   1.0204   4.7635   1.2588  424.975   46.700  428.270   57.169 -3.294373 73.81917 
1 1 1   24    5   15 o  525.207   31.780   7.1600   0.8558   7.5545   1.1912   6.7390   1.2304  540.367   42.876  510.047   46.921 30.32013 63.56079 
1 1 1   24    5   17 o  676.100   30.850   11.904   1.0666   12.885   1.4788   10.841   1.5397  705.610   40.765  646.590   46.316 59.02039 61.70089 
1 1 1   24    5   19 o  714.009   37.883   14.011   1.2791   15.493   1.5838   11.232   2.1691  773.427   39.830  654.590   64.451 118.8367 75.76511 
1 1 1   24    5   21 o  938.159   29.932   22.846   1.4417   22.789   1.9863   22.909   2.0959  937.162   41.226  939.155   43.407 -1.993103 59.86391 
1 1 1   24    5   23 o  224.741   42.458   1.3157   0.4863   1.6368   0.8099   1.1346   0.6082  244.698   63.740  204.784   56.105 39.91396 84.91506 
1 1 1   24    5   25 o  806.076   29.839   16.894   1.2356   16.075   1.7093   17.790   1.7881  785.618   42.320  826.534   42.078 -40.91602 59.67827 
1 1 1   24    5   27 o  458.131   43.354   6.1463   0.8886   4.1842   1.4687   7.2791   1.1160  387.937   76.358  528.325   41.085 -140.3872 86.70889 
1 1 1   24    5   29 o  156.114   36.963   0.5941   0.3478   0.4869   0.4602   0.7368   0.5311  143.745   50.392  168.484   54.090 -24.73851 73.92583 
1 1 1   24    5   31 o  560.929   31.089   8.2782   0.8903   7.0643   1.2401   9.5690   1.2789  517.695   46.594  604.164   41.172 -86.46954 62.17828 
1 1 1   24    5   33 o  239.005   44.387   1.4762   0.5077   1.3042   0.5953   1.9354   0.9726  216.890   53.676  261.119   70.709 -44.22917 88.77425 
1 1 1   24    5   35 o  581.443   44.626   9.2245   1.3327   8.6824   1.8624   9.7935   1.9078  563.293   64.309  599.592   61.889 -36.29938 89.25158 
1 1 1   24    5   37 f  272.680   44.417   2.0343   0.5770   1.8891   0.6962   2.3526   1.0309  260.302   53.803  285.057   70.689 -24.75485 88.83488 
1 1 1   24    5   39 o  266.062   51.326   2.0502   0.7248   1.7078   0.9853   2.4541   1.0700  242.707   73.011  289.416   72.157 -46.70944 102.6512 
1 1 1   24    5   41 o  363.392   45.732   3.5506   0.8544   3.5506   0.8544   0.0000   0.0000  363.392   45.732  ?   ?       ?      ? 
1 1 1   24    5   43 o  476.423   46.647   7.0600   0.9721   8.0928   1.1958   5.0471   1.6694  548.644   42.392  404.202   83.107 144.4420 93.29440 
1 1 1   24    5   45 o  159.495   40.304   0.6231   0.4346   0.9197   0.6064   0.3100   0.6232  180.248   57.789  138.742   56.195 41.50603 80.60720 
1 1 1   24    5   47 o  165.081   37.606   0.6036   0.3659   0.2717   0.4456   1.2907   0.6411  121.735   48.116  208.428   57.809 -86.69247 75.21286 
1 1 1   24    5   49 o  197.622   37.097   0.8245   0.3443   0.5074   0.3874   2.0165   0.7511  136.893   46.299  258.351   57.975 -121.4580 74.19323 
1 1 1   24    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6    2 o  1642.50   66.288   70.128   5.5977   0.0000   0.0000   70.128   5.5977  ?   ?   1642.50   66.288      ?      ? 
1 1 1   24    6    4 o  916.237   59.634   21.778   2.8091   0.0000   0.0000   21.778   2.8091  ?   ?   916.237   59.634      ?      ? 
1 1 1   24    6    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   10 o  719.863   41.827   13.487   1.5386   13.205   2.2927   13.717   2.0752  712.580   62.581  727.146   55.510 -14.56622 83.65310 
1 1 1   24    6   12 o  524.392   32.286   7.1250   0.8691   6.8322   1.2455   7.4030   1.2134  513.761   47.154  535.023   44.113 -21.26208 64.57150 
1 1 1   24    6   14 o  968.507   31.159   24.292   1.5502   25.053   2.1713   23.500   2.2138  984.161   42.913  952.854   45.189 31.30756 62.31885 
1 1 1   24    6   16 o  356.974   32.548   3.3049   0.5965   3.3467   0.8251   3.2590   0.8634  359.430   44.651  354.518   47.367 4.911804 65.09536 
1 1 1   24    6   18 o  777.782   30.447   15.644   1.2155   15.068   1.6627   16.307   1.7816  762.517   42.412  793.047   43.695 -30.53046 60.89359 
1 1 1   24    6   20 o  424.644   30.978   4.6889   0.6750   4.8142   0.9336   4.5517   0.9770  430.753   42.156  418.535   45.402 12.21826 61.95572 
1 1 1   24    6   22 o  1085.38   39.705   31.124   1.9569   31.436   2.2921   30.285   3.7585  1100.38   40.516  1070.39   68.297 29.99670 79.41058 
1 1 1   24    6   24 o  564.009   37.710   8.3836   1.0381   8.1938   1.7586   8.4851   1.2861  557.304   61.376  570.713   43.832 -13.40887 75.42057 
1 1 1   24    6   26 o  160.349   38.208   0.6053   0.3647   0.7924   0.5968   0.4937   0.4608  175.996   57.405  144.703   50.438 31.29362 76.41584 
1 1 1   24    6   28 o  570.658   36.458   8.5127   1.0110   8.3726   1.2379   8.7931   1.7518  565.894   42.550  575.423   59.213 -9.529175 72.91528 
1 1 1   24    6   30 o  303.312   34.417   2.4646   0.5158   1.9291   0.7121   3.0556   0.7481  265.249   54.050  341.375   42.623 -76.12610 68.83396 
1 1 1   24    6   32 o  245.988   44.172   1.6591   0.5176   1.6336   0.6077   1.7266   0.9880  244.046   50.112  247.930   72.755 -3.884109 88.34306 
1 1 1   24    6   34 o  335.033   40.053   2.6882   0.6333   2.0420   0.7503   4.2894   1.1811  271.241   55.670  398.826   57.599 -127.5846 80.10533 
1 1 1   24    6   36 o  191.969   42.014   0.9818   0.4283   0.9559   0.5074   1.0460   0.7988  185.816   51.385  198.121   66.484 -12.30469 84.02706 
1 1 1   24    6   38 o  365.877   45.140   3.9461   0.7444   4.2604   0.8991   3.2604   1.3277  400.077   43.709  331.678   78.993 68.39926 90.27937 
1 1 1   24    6   40 o  578.484   45.257   8.9685   1.3460   8.9685   1.3460   0.0000   0.0000  578.484   45.257  ?   ?       ?      ? 
1 1 1   24    6   42 o  793.597   38.739   17.328   1.4781   17.298   1.8028   17.390   2.5817  802.188   43.711  785.006   63.969 17.18170 77.47708 
1 1 1   24    6   44 o  211.252   36.440   1.4582   0.4715   2.1329   0.5702   0.0000   0.8383  282.018   39.328  140.486   61.358 141.5324 72.88066 
1 1 1   24    6   46 o  413.713   39.842   4.7780   0.8023   4.6072   0.9831   5.1184   1.3883  408.914   46.763  418.513   64.520 -9.599030 79.68462 
1 1 1   24    6   48 o  180.012   41.920   0.8253   0.4162   0.6276   0.4906   1.3332   0.7863  151.661   52.089  208.364   65.696 -56.70204 83.84042 
1 1 1   24    7    1 o  598.867   35.908   9.2904   1.1044   8.9320   1.5763   9.6360   1.5479  587.398   52.194  610.336   49.328 -22.93872 71.81573 
1 1 1   24    7    3 o  1080.94   41.386   29.733   2.1297   31.820   3.8758   28.830   2.5489  1105.90   68.168  1055.99   46.949 49.90491 82.77135 
1 1 1   24    7    5 o  681.197   44.733   12.018   1.5278   12.228   2.4572   11.886   1.9507  685.245   69.747  677.148   56.031 8.097534 89.46612 
1 1 1   24    7    7 o  194.536   40.736   0.8607   0.4538   1.5644   0.7296   0.4167   0.5795  240.788   59.321  148.284   55.847 92.50334 81.47263 
1 1 1   24    7    9 o  292.826   45.455   2.0840   0.6205   1.7213   0.7331   2.9996   1.1649  252.570   57.718  333.082   70.238 -80.51239 90.91068 
1 1 1   24    7   11 o  689.515   37.733   11.996   1.2822   13.483   2.1980   11.229   1.5786  720.312   59.351  658.719   46.612 61.59265 75.46696 
1 1 1   24    7   13 o  1162.07   31.440   34.940   1.8783   35.379   2.6583   34.503   2.6544  1169.40   44.215  1154.75   44.710 14.64294 62.88040 
1 1 1   24    7   15 o  1079.00   30.811   30.087   1.7075   28.388   2.3620   31.947   2.4712  1047.10   43.875  1110.91   43.268 -63.80469 61.62128 
1 1 1   24    7   17 o  524.860   32.773   7.3213   0.8619   8.7045   1.1802   5.7401   1.2619  579.945   39.581  469.776   52.245 110.1689 65.54565 
1 1 1   24    7   19 o  855.524   30.210   18.950   1.3269   18.307   1.8193   19.680   1.9396  840.176   42.117  870.873   43.320 -30.69653 60.41945 
1 1 1   24    7   21 o  392.673   31.642   4.0326   0.6348   4.3027   0.8710   3.7265   0.9271  407.085   41.617  378.261   47.674 28.82416 63.28346 
1 1 1   24    7   23 o  182.559   41.796   0.8422   0.3985   0.8729   0.4487   0.7277   0.8673  179.753   47.745  185.366   68.615 -5.612885 83.59140 
1 1 1   24    7   25 o  403.000   37.243   4.1202   0.7535   4.9374   1.2394   3.6410   0.9490  433.142   55.654  372.858   49.506 60.28360 74.48615 
1 1 1   24    7   27 o  155.229   36.071   0.6150   0.3316   0.6860   0.4234   0.5023   0.5333  160.591   47.761  149.867   54.068 10.72412 72.14210 
1 1 1   24    7   29 o  651.626   41.140   11.747   1.2244   12.375   1.4586   10.251   2.2527  687.771   41.251  615.481   71.191 72.28979 82.27927 
1 1 1   24    7   31 o  170.859   41.937   0.4930   0.3825   0.3070   0.4267   1.2532   0.8627  126.091   47.821  215.628   68.904 -89.53673 83.87301 
1 1 1   24    7   33 f  117.320   35.348   0.0864   0.3075   0.1065   0.3413   0.0000   0.7085  101.344   41.385  133.295   57.316 -31.95049 70.69546 
1 1 1   24    7   35 o  499.718   45.129   6.7916   1.1519   5.8079   1.5681   7.9444   1.6976  459.418   66.390  540.019   61.145 -80.60059 90.25702 
1 1 1   24    7   37 o  767.349   39.242   15.834   1.4332   15.612   1.7257   16.326   2.5727  766.306   43.803  768.392   65.125 -2.085999 78.48480 
1 1 1   24    7   39 o  170.584   60.678   0.7246   0.6694   0.7246   0.6694   0.0000   0.0000  170.584   60.678  ?   ?       ?      ? 
1 1 1   24    7   41 o  250.930   42.902   1.7399   0.5202   1.5931   0.6306   2.0528   0.9204  237.372   53.008  264.487   67.473 -27.11549 85.80452 
1 1 1   24    7   43 o  524.268   38.080   7.2357   0.9775   6.4656   1.1883   8.8478   1.7193  487.370   47.424  561.165   59.591 -73.79538 76.15914 
1 1 1   24    7   45 f  411.226   39.051   4.1466   0.7499   2.8097   0.8956   7.2813   1.3714  311.171   58.119  511.281   52.172 -200.1095 78.10113 
1 1 1   24    7   47 o  290.440   43.953   2.8187   0.6213   3.3984   0.7599   1.6498   1.0790  352.534   41.924  228.346   77.265 124.1889 87.90594 
1 1 1   24    7   49 o  394.464   45.856   4.3659   0.9300   4.3659   0.9300   0.0000   0.0000  394.464   45.856  ?   ?       ?      ? 
1 1 1   24    8    0 o  440.274   55.636   5.2355   1.2047   5.2355   1.2047   0.0000   0.0000  440.274   55.636  440.274   55.636 0.000000 0.000000 
1 1 1   24    8    2 o  1024.49   34.507   27.128   1.8153   27.614   2.6430   26.694   2.4977  1033.05   49.763  1015.94   47.819 17.11133 69.01473 
1 1 1   24    8    4 o  748.636   44.603   14.480   1.6775   14.949   2.6921   14.182   2.1449  757.692   69.107  739.581   56.409 18.11078 89.20628 
1 1 1   24    8    6 o  767.306   44.143   15.345   1.6997   15.092   2.7037   15.510   2.1856  761.133   69.093  773.479   54.961 -12.34589 88.28680 
1 1 1   24    8    8 o  1204.79   39.723   38.076   2.2809   36.537   4.0317   38.801   2.7661  1184.51   66.204  1225.07   43.917 -40.55896 79.44588 
1 1 1   24    8   10 f  561.805   37.562   7.8544   1.0390   9.3215   1.8009   7.1225   1.2720  599.028   58.476  524.583   47.162 74.44507 75.12440 
1 1 1   24    8   12 o  681.138   47.400   11.861   1.6357   10.789   2.1070   13.488   2.5950  643.643   63.671  718.632   70.235 -74.98938 94.79954 
1 1 1   24    8   14 o  1116.78   31.461   32.417   1.7990   35.047   2.5122   29.649   2.5775  1163.89   41.983  1069.67   46.868 94.22034 62.92195 
1 1 1   24    8   16 o  1175.06   30.678   35.860   1.8476   37.115   2.5435   34.457   2.6883  1197.32   41.318  1152.81   45.358 44.51807 61.35619 
1 1 1   24    8   18 o  1048.33   30.170   28.455   1.6221   27.892   2.2089   29.114   2.3898  1037.35   41.416  1059.31   43.881 -21.96033 60.33931 
1 1 1   24    8   20 o  1347.48   29.877   47.145   2.0623   47.213   2.8014   47.064   3.0471  1349.11   40.389  1345.84   44.037 3.270874 59.75409 
1 1 1   24    8   22 o  688.602   30.124   12.260   1.0627   10.943   1.4475   13.800   1.5651  648.562   43.410  728.642   41.778 -80.08044 60.24755 
1 1 1   24    8   24 o  1107.28   67.545   32.570   3.8452   0.0000   0.0000   32.570   3.8452  ?   ?   1107.28   67.545      ?      ? 
1 1 1   24    8   26 o  935.067   41.140   22.799   1.9778   22.799   1.9778   0.0000   0.0000  935.067   41.140  ?   ?       ?      ? 
1 1 1   24    8   28 o  848.797   38.811   18.999   1.5317   18.905   1.8145   19.234   2.8572  850.376   41.502  847.217   65.595 3.158630 77.62176 
1 1 1   24    8   30 o  732.248   37.716   13.841   1.3125   13.232   1.5658   15.279   2.4069  710.012   42.895  754.485   62.049 -44.47253 75.43291 
1 1 1   24    8   32 o  546.342   40.321   8.0655   1.0306   8.1614   1.2325   7.8427   1.8790  556.642   43.067  536.042   68.179 20.60046 80.64207 
1 1 1   24    8   34 o  554.907   38.418   7.9666   1.0194   7.4708   1.2183   9.1237   1.8612  531.087   44.620  578.727   62.554 -47.64020 76.83691 
1 1 1   24    8   36 o  185.746   44.943   0.5982   0.5514   0.0000   0.6900   1.6552   0.9172  130.949   56.435  240.542   69.961 -109.5933 89.88575 
1 1 1   24    8   38 o  374.889   68.891   4.0293   1.2789   4.0293   1.2789   0.0000   0.0000  374.889   68.891  ?   ?       ?      ? 
1 1 1   24    8   40 o  283.280   44.140   2.0262   0.5885   1.5424   0.6974   3.2231   1.0968  232.298   58.443  334.262   66.164 -101.9641 88.27985 
1 1 1   24    8   42 o  487.452   46.194   7.2784   0.9891   8.1726   1.2094   5.4716   1.7191  551.629   42.642  423.275   81.959 128.3541 92.38889 
1 1 1   24    8   44 o  211.866   38.346   1.3627   0.4032   1.5029   0.4663   0.9472   0.8026  236.848   38.292  186.884   66.448 49.96408 76.69158 
1 1 1   24    8   46 f  176.769   35.657   0.9492   0.4041   1.4383   0.4974   0.0000   0.6930  225.817   44.426  127.722   55.785 98.09569 71.31416 
1 1 1   24    8   48 o  148.376   38.506   0.4881   0.4211   0.9135   0.5761   0.0000   0.6171  176.616   56.293  120.136   52.553 56.47992 77.01138 
1 1 1   24    9    1 o  1471.75   35.105   56.052   2.6541   56.184   3.8340   55.930   3.6777  1473.22   50.619  1470.28   48.653 2.949341 70.20988 
1 1 1   24    9    3 o  625.722   42.664   10.203   1.2268   10.084   2.3252   10.248   1.4442  621.781   72.738  629.664   44.612 -7.882324 85.32896 
1 1 1   24    9    5 o  317.244   48.931   2.7929   0.7584   2.2532   1.2814   3.0838   0.9409  289.517   82.234  344.972   53.051 -55.45517 97.86130 
1 1 1   24    9    7 o  761.507   39.064   14.453   1.4292   16.697   2.5975   13.479   1.7117  801.181   63.061  721.833   46.122 79.34851 78.12765 
1 1 1   24    9    9 o  894.197   32.875   20.699   1.5066   20.596   2.2168   20.787   2.0539  891.896   48.344  896.498   44.562 -4.602478 65.74921 
1 1 1   24    9   11 o  411.510   33.001   4.3900   0.6971   4.2139   0.9998   4.5566   0.9725  403.371   48.212  419.650   45.076 -16.27982 66.00209 
1 1 1   24    9   13 o  208.634   48.689   1.0846   0.5993   1.0816   0.7768   1.0889   0.9418  205.383   65.360  211.885   72.185 -6.501999 97.37814 
1 1 1   24    9   15 o  202.607   37.388   1.1018   0.3951   0.9514   0.5486   1.2638   0.5694  188.939   53.854  216.275   51.876 -27.33583 74.77560 
1 1 1   24    9   17 o  638.532   30.725   10.516   1.0056   9.8323   1.3597   11.342   1.4942  615.803   42.947  661.261   43.950 -45.45795 61.44949 
1 1 1   24    9   19 o  309.846   36.280   2.6555   0.5409   3.2678   0.7293   1.9072   0.8063  355.020   39.958  264.671   60.566 90.34964 72.55968 
1 1 1   24    9   21 o  1147.80   39.953   34.248   2.0661   33.944   2.3980   35.124   4.0704  1143.28   40.797  1152.32   68.706 -9.040039 79.90524 
1 1 1   24    9   23 o  397.769   47.121   4.1424   0.9328   3.5570   1.2087   5.0043   1.4667  360.856   67.635  434.683   65.628 -73.82660 94.24191 
1 1 1   24    9   25 o  537.519   60.715   7.6492   1.6779   7.6492   1.6779   0.0000   0.0000  537.519   60.715  ?   ?       ?      ? 
1 1 1   24    9   27 o  900.150   37.694   20.173   1.5973   18.534   1.8778   24.466   3.0383  841.690   43.394  958.610   61.647 -116.9202 75.38828 
1 1 1   24    9   29 o  179.370   40.324   0.5204   0.3972   0.1868   0.4553   1.5831   0.8127  120.031   48.239  238.709   64.631 -118.6783 80.64866 
1 1 1   24    9   31 o  292.257   42.900   2.1645   0.5720   1.8863   0.6691   2.9199   1.1025  262.356   51.447  322.157   68.665 -59.80029 85.80031 
1 1 1   24    9   33 o  286.529   42.770   2.5903   0.5221   2.8633   0.5920   1.6346   1.1075  330.841   34.803  242.217   78.141 88.62325 85.54062 
1 1 1   24    9   35 o  555.134   41.476   8.8308   0.9396   9.1922   1.0638   7.5477   2.0044  592.052   34.948  518.215   75.231 73.83679 82.95160 
1 1 1   24    9   37 o  453.025   50.304   5.7678   1.1032   3.9301   1.4836   8.0413   1.6501  363.853   81.349  542.197   59.197 -178.3439 100.6072 
1 1 1   24    9   39 o  181.087   43.906   0.7970   0.4866   0.5656   0.6175   1.1761   0.7905  156.861   57.930  205.314   65.994 -48.45299 87.81298 
1 1 1   24    9   41 o  247.959   40.366   1.8142   0.4449   1.8984   0.5046   1.5205   0.9424  267.598   36.679  228.320   71.918 39.27759 80.73136 
1 1 1   24    9   43 o  203.781   36.396   0.8950   0.3332   0.6383   0.3737   1.8900   0.7357  151.890   44.795  255.673   57.378 -103.7825 72.79279 
1 1 1   24    9   45 o  211.901   40.145   1.2899   0.3995   1.2850   0.4546   1.3066   0.8364  214.161   42.789  209.640   67.938 4.520874 80.28948 
1 1 1   24    9   47 o  310.571   35.028   2.2127   0.4870   1.6760   0.5530   4.0681   1.0281  242.674   46.004  378.468   52.835 -135.7941 70.05632 
1 1 1   24    9   49 o  131.990   47.986   0.4409   0.4213   0.4409   0.4213   0.0000   0.0000  131.990   47.986  ?   ?       ?      ? 
1 1 1   24   10    0 o  369.143   57.115   3.7594   1.0067   0.0000   0.0000   3.7594   1.0067  369.143   57.115  369.143   57.115 -0.000000 0.000000 
1 1 1   24   10    2 o  2296.00   33.564  136.391   3.9363  136.387   5.9115  136.394   5.2761  2295.14   50.098  2296.87   44.680 -1.734131 67.12714 
1 1 1   24   10    4 o  467.596   43.057   5.7809   0.9121   5.4683   1.7477   5.8979   1.0692  457.526   74.298  477.666   43.538 -20.14059 86.11474 
1 1 1   24   10    6 o  847.024   43.246   18.189   1.8517   21.191   2.9676   16.276   2.3695  902.385   63.966  791.664   58.218 110.7217 86.49252 
1 1 1   24   10    8 o  1386.31   39.331   49.258   2.6121   51.587   4.6751   48.202   3.1496  1407.54   64.604  1365.08   44.877 42.45044 78.66180 
1 1 1   24   10   10 o  1156.19   32.660   34.571   1.9383   35.095   2.8309   34.109   2.6595  1164.24   47.294  1148.14   45.054 16.10254 65.31900 
1 1 1   24   10   12 o  474.011   33.043   5.8546   0.7999   5.1583   1.1432   6.5225   1.1196  445.984   49.859  502.038   43.377 -56.05405 66.08688 
1 1 1   24   10   14 o  1950.36   37.513  100.088   3.5926   94.683   5.9602  103.173   4.5025  1905.06   60.853  1995.67   43.883 -90.61084 75.02551 
1 1 1   24   10   16 f  837.673   39.962   17.029   1.5061   15.804   1.7229   20.999   3.1008  780.794   42.920  894.552   67.422 -113.7574 79.92451 
1 1 1   24   10   18 o  670.668   40.305   10.909   1.2011   10.149   1.3661   13.500   2.5215  625.386   42.488  715.950   68.503 -90.56415 80.60961 
1 1 1   24   10   20 o  219.328   47.412   1.2308   0.4773   1.2518   0.5182   1.1137   1.2244  215.055   48.080  223.601   81.730 -8.546204 94.82301 
1 1 1   24   10   22 o  323.047   51.673   2.8329   0.8129   2.7028   1.0157   3.0646   1.3559  314.345   64.994  331.750   80.351 -17.40555 103.3465 
1 1 1   24   10   24 o  579.192   60.367   8.8686   1.7976   8.8686   1.7976   0.0000   0.0000  579.192   60.367  ?   ?       ?      ? 
1 1 1   24   10   26 o  648.939   51.763   12.072   1.6040   15.290   2.1374   7.9231   2.4270  761.082   54.624  536.797   87.942 224.2849 103.5254 
1 1 1   24   10   28 o  513.249   42.827   7.3817   0.9934   7.8555   1.1807   6.2333   1.8383  547.801   41.922  478.696   74.694 69.10495 85.65434 
1 1 1   24   10   30 o  234.561   44.879   1.6237   0.5219   1.7899   0.5989   1.0995   1.0639  256.705   47.117  212.415   76.396 44.28990 89.75727 
1 1 1   24   10   32 o  626.218   37.208   10.054   0.9907   9.7391   1.1150   11.235   2.1588  610.170   35.544  642.266   65.378 -32.09576 74.41518 
1 1 1   24   10   34 o  208.241   45.573   1.1092   0.4892   1.0002   0.5690   1.4184   0.9583  190.359   55.028  226.122   72.661 -35.76344 91.14665 
1 1 1   24   10   36 o  221.731   48.516   1.2354   0.6127   0.7659   0.7716   2.0371   1.0083  178.538   64.937  264.923   72.099 -86.38498 97.03156 
1 1 1   24   10   38 o  265.148   41.442   1.8895   0.4714   1.8362   0.5299   2.0915   1.0319  263.353   39.138  266.944   73.061 -3.591156 82.88383 
1 1 1   24   10   40 o  278.796   38.260   2.0371   0.4725   1.9051   0.5440   2.4430   0.9537  267.651   39.530  289.941   65.520 -22.28949 76.52083 
1 1 1   24   10   42 o  207.259   37.061   1.4310   0.4153   1.7699   0.4742   0.3155   0.8602  258.215   35.717  156.303   64.949 101.9117 74.12207 
1 1 1   24   10   44 o  160.707   31.631   0.2615   0.2495   0.0000   0.2723   1.6317   0.6233   82.995   35.606  238.419   52.291 -155.4238 63.26237 
1 1 1   24   10   46 o  372.802   45.171   4.2461   0.7787   4.5209   0.9600   3.7176   1.3314  404.485   46.165  341.118   77.656 63.36652 90.34224 
1 1 1   24   10   48 o  433.591   46.731   5.2757   1.0417   5.2757   1.0417   0.0000   0.0000  433.591   46.731  ?   ?       ?      ? 
1 1 1   24   11    1 o  490.313   34.586   6.1470   0.8656   7.2660   1.3027   5.2624   1.1583  529.849   47.822  450.777   49.978 79.07153 69.17232 
1 1 1   24   11    3 o  801.869   40.560   15.948   1.5084   18.434   2.9207   15.043   1.7615  841.062   67.544  762.677   44.924 78.38477 81.11935 
1 1 1   24   11    5 o  1600.20   43.498   64.814   3.5155   76.143   5.6552   57.678   4.4880  1710.29   64.314  1490.12   58.582 220.1721 86.99543 
1 1 1   24   11    7 o  664.597   40.798   11.322   1.2793   11.853   2.3533   11.099   1.5243  674.202   67.891  654.992   45.264 19.21069 81.59651 
1 1 1   24   11    9 f  651.260   33.381   10.926   1.1147   12.008   1.6427   10.003   1.5176  681.012   46.919  621.507   47.495 59.50488 66.76192 
1 1 1   24   11   11 o  442.888   45.073   4.9094   0.9182   4.6709   1.0685   5.5827   1.7952  424.453   48.963  461.322   75.690 -36.86865 90.14674 
1 1 1   24   11   13 o  783.556   44.500   16.284   1.5606   16.558   1.8166   15.509   3.0488  799.469   44.197  767.642   77.250 31.82739 89.00002 
1 1 1   24   11   15 o  614.375   49.855   9.8545   1.5383   9.6175   1.9650   10.230   2.4723  606.248   63.044  622.502   77.250 -16.25397 99.71006 
1 1 1   24   11   17 o  1141.16   42.044   33.825   2.1026   33.589   2.4081   34.581   4.3135  1138.16   41.153  1144.17   73.329 -6.016724 84.08722 
1 1 1   24   11   19 o  286.429   49.175   2.0887   0.5818   2.0392   0.6371   2.3373   1.4275  280.056   44.246  292.801   87.836 -12.74475 98.35075 
1 1 1   24   11   21 o  185.050   44.589   0.8171   0.4734   0.7976   0.5592   0.8664   0.8895  175.423   55.415  194.678   69.872 -19.25470 89.17898 
1 1 1   24   11   23 o  354.220   35.873   3.2567   0.6533   3.2567   0.6533   0.0000   0.0000  354.220   35.873  ?   ?       ?      ? 
1 1 1   24   11   25 o  188.265   40.789   0.9094   0.3636   0.9213   0.3995   0.8521   0.8772  184.232   42.968  192.299   69.345 -8.067169 81.57816 
1 1 1   24   11   27 o  250.101   44.030   1.7738   0.4487   1.8344   0.4857   1.4204   1.1729  265.454   35.586  234.747   80.549 30.70673 88.05939 
1 1 1   24   11   29 o  283.410   46.228   2.0893   0.5761   1.9593   0.6542   2.5384   1.2156  268.438   49.219  298.381   78.266 -29.94287 92.45628 
1 1 1   24   11   31 o  598.276   41.386   9.6933   1.1388   9.7930   1.3465   9.4428   2.1346  609.756   42.951  586.797   70.755 22.95941 82.77135 
1 1 1   24   11   33 f  194.353   43.648   1.0164   0.4481   1.0583   0.5109   0.8769   0.9325  195.507   50.482  193.199   71.218 2.307602 87.29551 
1 1 1   24   11   35 o  406.647   50.006   4.5179   1.0070   3.5779   1.3047   5.9029   1.5837  351.347   74.537  461.947   66.684 -110.6000 100.0126 
1 1 1   24   11   37 o  171.545   51.986   0.8050   0.4982   0.8050   0.4982   0.0000   0.0000  171.545   51.986  ?   ?       ?      ? 
1 1 1   24   11   39 o  343.181   43.888   3.4017   0.6863   3.5322   0.8243   3.1069   1.2388  363.287   44.133  323.075   75.875 40.21265 87.77625 
1 1 1   24   11   41 o  171.026   38.731   0.5942   0.3171   0.4451   0.3500   1.2773   0.7493  131.488   44.011  210.565   63.745 -79.07654 77.46240 
1 1 1   24   11   43 o  451.558   47.686   6.7051   0.8250   7.3692   0.9452   4.5809   1.6905  526.419   34.924  376.697   88.748 149.7221 95.37249 
1 1 1   24   11   45 f  162.212   37.721   0.6038   0.3002   0.5115   0.3322   1.0141   0.7004  136.740   42.642  187.683   62.236 -50.94287 75.44289 
1 1 1   24   11   47 o  188.669   51.408   1.0445   0.5122   1.0445   0.5122   0.0000   0.0000  188.669   51.408  ?   ?       ?      ? 
1 1 1   24   12    0 o  631.561   36.410   10.376   1.1733   10.376   1.1733   0.0000   0.0000  631.561   36.410  631.561   36.410 0.000000 0.000000 
1 1 1   24   12    2 o  1195.96   38.625   34.446   1.9761   32.502   2.2147   42.036   4.3769  1121.90   38.396  1270.03   67.032 -148.1255 77.25014 
1 1 1   24   12    4 o  1235.27   51.199   40.138   3.2257   44.980   4.5053   35.045   4.6206  1313.73   66.703  1156.80   77.692 156.9390 102.3978 
1 1 1   24   12    6 o  996.069   69.324   25.893   3.5501   25.893   3.5501   0.0000   0.0000  996.069   69.324  ?   ?       ?      ? 
1 1 1   24   12    8 o  1222.71   50.123   38.541   3.1191   31.728   4.1722   47.174   4.6964  1101.06   73.704  1344.37   67.948 -243.3142 100.2456 
1 1 1   24   12   10 o  1189.40   42.716   37.237   2.0428   37.481   2.2731   36.211   4.6574  1204.56   36.704  1174.24   77.147 30.32117 85.43300 
1 1 1   24   12   12 o  422.568   44.683   4.4538   0.7076   4.3138   0.7728   5.1805   1.7608  408.539   36.791  436.597   81.440 -28.05801 89.36526 
1 1 1   24   12   14 o  721.620   39.926   12.990   1.1434   12.667   1.2579   14.527   2.7433  700.053   34.949  743.187   71.797 -43.13361 79.85125 
1 1 1   24   12   16 o  1193.78   40.344   35.164   2.1505   33.213   2.4583   41.524   4.4386  1131.56   42.256  1255.99   68.738 -124.4257 80.68723 
1 1 1   24   12   18 o  622.940   40.167   9.5285   0.9639   9.2240   1.0504   11.151   2.4245  597.016   34.223  648.863   72.679 -51.84668 80.33302 
1 1 1   24   12   20 o  703.100   40.585   12.843   1.4671   12.843   1.4671   0.0000   0.0000  703.100   40.585  ?   ?       ?      ? 
1 1 1   24   12   22 o  218.176   40.305   1.2763   0.4355   1.2763   0.4355   0.0000   0.0000  218.176   40.305  ?   ?       ?      ? 
1 1 1   24   12   24 o  584.268   39.789   8.9220   0.9331   8.8700   1.0352   9.1473   2.1539  584.503   34.449  584.032   71.735 0.4714966 79.57756 
1 1 1   24   12   26 o  524.025   40.766   6.8493   0.9696   6.3936   1.1165   8.2474   1.9557  494.120   43.950  553.929   68.671 -59.80951 81.53105 
1 1 1   24   12   28 f  355.793   50.752   3.9455   0.7666   4.3462   0.8778   2.6576   1.5738  407.212   41.929  304.373   92.438 102.8397 101.5030 
1 1 1   24   12   30 f  458.425   53.236   6.0375   1.1777   6.7985   1.5466   4.9871   1.8171  502.846   59.823  414.005   88.076 88.84116 106.4711 
1 1 1   24   12   32 o  837.471   38.314   18.658   1.3402   18.552   1.5081   19.053   2.9226  842.060   34.835  832.882   68.252 9.178101 76.62749 
1 1 1   24   12   34 o  386.961   39.697   3.4152   0.7149   2.6400   0.8240   5.7763   1.4380  313.758   51.079  460.164   60.780 -146.4065 79.39336 
1 1 1   24   12   36 o  235.328   57.294   1.5647   0.6867   1.5647   0.6867   0.0000   0.0000  235.328   57.294  ?   ?       ?      ? 
1 1 1   24   12   38 o  440.358   35.737   4.4387   0.6868   3.8192   0.7677   6.9239   1.5376  379.530   39.342  501.185   59.673 -121.6549 71.47456 
1 1 1   24   12   40 o  286.084   44.984   2.4898   0.6088   2.7189   0.7242   1.9374   1.1244  318.093   44.280  254.076   78.316 64.01625 89.96767 
1 1 1   24   12   42 o  233.410   39.547   1.4744   0.4044   1.4273   0.4533   1.6581   0.8953  231.171   38.141  235.648   69.291 -4.476776 79.09451 
1 1 1   24   12   44 o  184.644   39.059   0.8168   0.3394   0.6804   0.3799   1.3568   0.7560  155.753   44.947  213.534   63.892 -57.78055 78.11795 
1 1 1   24   12   46 o  212.581   44.682   1.3969   0.5676   1.9232   0.7520   0.7002   0.8652  253.631   58.812  171.531   67.283 82.09973 89.36404 
1 1 1   24   12   48 o  173.243   44.118   0.8679   0.3940   0.8679   0.3940   0.0000   0.0000  173.243   44.118  ?   ?       ?      ? 
1 1 1   24   13    1 o  1835.80   39.045   82.664   3.0044   79.404   3.3525   95.963   6.7711  1753.70   37.183  1917.90   68.670 -164.2012 78.09035 
1 1 1   24   13    3 o  823.309   41.422   16.776   1.5680   15.821   1.8210   19.513   3.0835  781.966   45.296  864.652   69.365 -82.68610 82.84413 
1 1 1   24   13    5 o  1009.94   41.752   26.005   1.9275   25.414   2.2470   27.651   3.7505  991.165   44.095  1028.72   70.912 -37.55109 83.50368 
1 1 1   24   13    7 o  1321.42   43.747   46.093   2.5669   46.728   2.9731   44.233   5.0874  1343.97   43.027  1298.86   76.184 45.10938 87.49468 
1 1 1   24   13    9 o  716.632   51.148   13.501   1.8610   13.748   2.4603   13.171   2.8452  725.459   65.963  707.804   78.187 17.65448 102.2959 
1 1 1   24   13   11 o  496.043   56.343   8.0136   0.9604   8.7246   1.0587   4.7095   2.2822  581.093   35.436  410.993  106.969 170.0995 112.6861 
1 1 1   24   13   13 o  925.732   41.614   22.154   1.5110   22.034   1.6645   22.717   3.6020  923.263   35.067  928.201   75.481 -4.937500 83.22884 
1 1 1   24   13   15 o  1212.20   39.412   36.717   1.8783   35.841   2.0614   41.000   4.5577  1177.33   34.057  1247.08   71.086 -69.74878 78.82327 
1 1 1   24   13   17 o  622.358   38.900   8.4240   1.0591   7.1273   1.1827   13.677   2.3804  523.693   43.925  721.024   64.215 -197.3312 77.80057 
1 1 1   24   13   19 o  551.082   57.014   7.9684   1.6154   7.9684   1.6154   0.0000   0.0000  551.082   57.014  ?   ?       ?      ? 
1 1 1   24   13   21 o  361.777   46.382   3.4058   0.6076   3.3508   0.6584   3.7207   1.5766  359.404   35.632  364.150   85.648 -4.745819 92.76453 
1 1 1   24   13   23 o  494.222   37.916   5.6729   0.8774   4.7400   1.0174   8.3813   1.7334  425.657   46.489  562.788   59.909 -137.1307 75.83103 
1 1 1   24   13   25 o  531.437   43.954   7.8966   1.0371   8.3381   1.2180   6.7321   1.9781  564.884   41.938  497.990   77.259 66.89349 87.90755 
1 1 1   24   13   27 o  473.556   48.016   6.4372   0.9505   6.7590   1.1021   5.5024   1.8783  507.912   42.203  439.200   86.262 68.71219 96.03300 
1 1 1   24   13   29 o  666.280   39.331   11.034   1.2149   10.061   1.4119   13.807   2.3844  618.101   44.430  714.459   64.913 -96.35730 78.66232 
1 1 1   24   13   31 o  478.572   41.878   6.2225   0.7920   6.2507   0.8783   6.0999   1.8325  488.893   34.942  468.250   76.120 20.64252 83.75663 
1 1 1   24   13   33 o  415.561   44.653   4.5560   0.8148   4.3205   0.9408   5.2626   1.6295  403.360   45.367  427.762   76.924 -24.40140 89.30537 
1 1 1   24   13   35 o  537.854   35.674   7.6050   0.9865   7.6050   0.9865   0.0000   0.0000  537.854   35.674  ?   ?       ?      ? 
1 1 1   24   13   37 o  209.212   43.523   0.9850   0.4536   0.6878   0.5212   1.9133   0.9209  161.805   53.689  256.619   68.515 -94.81490 87.04514 
1 1 1   24   13   39 o  348.565   50.203   3.9404   0.7838   4.4483   0.9219   2.6160   1.4886  407.345   44.020  289.786   90.243 117.5591 100.4070 
1 1 1   24   13   41 f  328.442   35.371   2.3035   0.5109   1.6620   0.5754   4.6953   1.1110  243.695   47.633  413.189   52.301 -169.4939 70.74139 
1 1 1   24   13   43 o  245.990   41.643   1.8933   0.4644   2.0322   0.5232   1.3772   1.0083  275.637   36.918  216.342   74.656 59.29430 83.28551 
1 1 1   24   13   45 o  204.583   43.271   1.2701   0.4714   1.3517   0.5537   1.0547   0.8990  215.996   50.722  193.169   70.120 22.82745 86.54227 
1 1 1   24   13   47 o  231.709   44.818   1.5930   0.5008   1.5183   0.5797   1.8130   0.9948  227.469   50.845  235.948   73.820 -8.478333 89.63576 
1 1 1   24   14    0 o  575.086   82.708   9.0988   2.2985   9.0988   2.2985   0.0000   0.0000  575.086   82.708  575.086   82.708 0.000000 0.000000 
1 1 1   24   14    2 o  488.766   41.550   5.6753   0.8359   5.3507   0.9238   7.1426   1.9642  455.050   39.485  522.481   73.120 -67.43088 83.09966 
1 1 1   24   14    4 o  1036.79   44.632   29.299   2.0481   30.714   2.3917   25.410   3.9656  1089.67   42.692  983.913   78.394 105.7560 89.26473 
1 1 1   24   14    6 o  1081.58   43.888   30.281   2.4405   30.281   2.4405   0.0000   0.0000  1081.58   43.888  ?   ?       ?      ? 
1 1 1   24   14    8 f  457.084   43.110   5.0903   0.8851   4.7480   1.0126   6.1994   1.8225  428.029   46.012  486.139   72.917 -58.11026 86.22051 
1 1 1   24   14   10 o  876.157   44.868   20.988   1.5470   21.551   1.7206   18.612   3.5342  913.063   36.654  839.251   81.908 73.81195 89.73512 
1 1 1   24   14   12 o  297.765   46.341   2.3938   0.5371   2.4159   0.5858   2.2776   1.3454  305.589   37.287  289.940   84.850 15.64877 92.68130 
1 1 1   24   14   14 o  964.982   39.391   22.932   1.5039   22.192   1.6505   26.552   3.6507  926.319   34.656  1003.65   70.750 -77.32672 78.78214 
1 1 1   24   14   16 o  831.224   48.029   17.990   1.9757   17.376   2.4614   19.101   3.3126  814.221   58.799  848.227   75.960 -34.00623 96.05853 
1 1 1   24   14   18 o  1232.15   33.189   39.298   2.1025   39.298   2.1025   0.0000   0.0000  1232.15   33.189  ?   ?       ?      ? 
1 1 1   24   14   20 o  219.047   53.884   1.1343   0.7033   1.0613   0.8479   1.2954   1.2594  204.871   68.496  233.223   83.200 -28.35208 107.7680 
1 1 1   24   14   22 o  495.003   48.865   6.7248   0.9892   6.8125   1.1238   6.4231   2.0841  511.052   42.771  478.953   87.875 32.09937 97.73093 
1 1 1   24   14   24 f  142.848   39.040   0.3673   0.3772   0.3847   0.4436   0.3218   0.7168  134.185   49.170  151.510   60.654 -17.32407 78.08047 
1 1 1   24   14   26 o  370.664   50.527   4.4186   0.8099   5.1204   0.9490   2.5382   1.5534  442.285   41.736  299.043   92.032 143.2420 101.0536 
1 1 1   24   14   28 o  543.601   37.246   6.7509   0.8317   6.1149   0.9135   9.8317   2.0105  483.817   36.724  603.384   64.811 -119.5678 74.49213 
1 1 1   24   14   30 f  707.495   41.979   13.531   1.3408   13.584   1.5658   13.385   2.5960  718.116   42.412  696.875   72.457 21.24121 83.95728 
1 1 1   24   14   32 o  743.215   41.166   14.555   1.4023   14.085   1.6373   15.847   2.7166  729.470   43.658  756.960   69.803 -27.48987 82.33157 
1 1 1   24   14   34 o  457.265   36.760   5.5009   0.8642   5.5009   0.8642   0.0000   0.0000  457.265   36.760  ?   ?       ?      ? 
1 1 1   24   14   36 o  752.835   40.451   15.667   1.2418   15.814   1.3932   15.101   2.7396  775.358   34.949  730.313   72.963 45.04523 80.90113 
1 1 1   24   14   38 o  324.618   37.516   2.3263   0.5179   1.9644   0.5720   3.9740   1.2205  271.624   40.961  377.612   62.865 -105.9889 75.03162 
1 1 1   24   14   40 o  148.273   38.897   0.5087   0.3433   0.5478   0.3809   0.3395   0.7921  143.147   45.791  153.400   62.890 -10.25279 77.79384 
1 1 1   24   14   42 o  198.583   40.106   1.1292   0.3831   1.1516   0.4309   1.0446   0.8367  203.092   42.625  194.075   67.950 9.016739 80.21236 
1 1 1   24   14   44 o  177.126   44.910   0.8257   0.5223   0.6206   0.7071   1.0720   0.7750  161.488   61.482  192.765   65.480 -31.27702 89.81981 
1 1 1   24   14   46 o  231.538   57.372   1.6082   0.6795   1.6082   0.6795   0.0000   0.0000  231.538   57.372  ?   ?       ?      ? 
1 1 1   24   15    1 o  718.302   54.057   13.602   1.9836   15.253   2.7958   11.928   2.8149  763.378   71.235  673.225   81.326 90.15344 108.1133 
1 1 1   24   15    3 o  142.384   36.883   0.4520   0.3132   0.5441   0.3436   0.0000   0.7613  144.207   43.056  140.561   59.898 3.646484 73.76691 
1 1 1   24   15    5 o  544.943   45.050   7.9733   1.0847   8.2041   1.2587   7.3076   2.1378  562.911   43.494  526.976   78.907 35.93494 90.10027 
1 1 1   24   15    7 o  1465.25   41.338   53.104   2.7535   50.111   3.1771   62.138   5.5193  1390.69   44.436  1539.80   69.718 -149.1086 82.67509 
1 1 1   24   15    9 o  857.417   51.073   19.149   2.2367   17.886   2.9650   20.817   3.4073  825.515   69.859  889.320   74.522 -63.80438 102.1459 
1 1 1   24   15   11 o  498.099   40.668   5.7800   0.8295   5.3752   0.9132   7.6904   1.9839  455.655   38.980  540.543   71.386 -84.88794 81.33524 
1 1 1   24   15   13 o  600.300   41.034   8.5778   1.0791   7.8909   1.2169   11.106   2.3346  551.432   42.923  649.167   69.949 -97.73511 82.06857 
1 1 1   24   15   15 o  303.626   41.383   2.3929   0.6460   2.3929   0.6460   0.0000   0.0000  303.626   41.383  ?   ?       ?      ? 
1 1 1   24   15   17 o  426.863   43.551   4.7400   0.9558   4.7400   0.9558   0.0000   0.0000  426.863   43.551  ?   ?       ?      ? 
1 1 1   24   15   19 o  988.812   49.062   26.282   2.4153   27.313   3.0952   24.677   3.8624  1018.33   59.120  959.295   78.313 59.03265 98.12304 
1 1 1   24   15   21 o  362.711   51.749   3.7119   0.7707   3.8038   0.8646   3.3564   1.7000  381.747   44.055  343.676   93.655 38.07074 103.4988 
1 1 1   24   15   23 o  390.626   43.889   3.7860   0.6391   3.6249   0.6958   4.6558   1.6167  373.314   36.253  407.938   79.941 -34.62360 87.77727 
1 1 1   24   15   25 o  483.912   36.629   5.3637   0.7326   4.8746   0.8065   7.6712   1.7517  432.554   36.265  535.269   63.651 -102.7150 73.25729 
1 1 1   24   15   27 o  206.926   44.127   1.2305   0.4920   1.4082   0.5632   0.6578   1.0108  226.617   49.707  187.235   72.923 39.38193 88.25311 
1 1 1   24   15   29 o  275.447   46.955   2.4332   0.5423   2.6349   0.5893   1.3160   1.3865  317.404   36.111  233.489   86.689 83.91528 93.90941 
1 1 1   24   15   31 o  287.181   47.409   2.7213   0.6251   3.0923   0.7032   1.3237   1.3649  342.719   39.907  231.642   86.010 111.0772 94.81718 
1 1 1   24   15   33 o  645.988   35.370   10.954   1.1747   10.954   1.1747   0.0000   0.0000  645.988   35.370  ?   ?       ?      ? 
1 1 1   24   15   35 o  452.383   43.642   5.6786   0.7628   5.6777   0.8489   5.6822   1.7378  464.547   35.545  440.218   79.718 24.32959 87.28335 
1 1 1   24   15   37 f  351.780   49.427   3.9661   0.7519   4.3950   0.8724   2.7274   1.4827  406.244   41.772  297.316   89.594 108.9282 98.85362 
1 1 1   24   15   39 o  256.062   44.921   2.0422   0.5588   2.2585   0.6430   1.3750   1.1293  290.161   43.100  221.962   78.829 68.19951 89.84246 
1 1 1   24   15   41 f  214.694   44.384   1.2414   0.4143   1.2130   0.4478   1.4098   1.0905  208.588   43.181  220.799   77.558 -12.21107 88.76877 
1 1 1   24   15   43 o  269.158   44.753   2.2769   0.5216   2.3889   0.5804   1.8070   1.1888  298.180   37.862  240.137   81.103 58.04344 89.50537 
1 1 1   24   15   45 o  542.853   37.688   7.9735   1.0518   7.9735   1.0518   0.0000   0.0000  542.853   37.688  ?   ?       ?      ? 
1 1 1   24   15   47 o  379.182   43.086   3.9589   0.7816   3.4065   0.9258   5.3296   1.4584  343.828   52.372  414.536   68.431 -70.70813 86.17194 
1 1 1   24   16    0 o  180.361   88.325   1.2477   0.9709   1.2477   0.9709   0.0000   0.0000  180.361   88.325  180.361   88.325 0.000000 0.000000 
1 1 1   24   16    2 o  254.174   51.717   1.5989   0.7730   2.7148   1.1353   0.6343   1.0555  315.734   71.588  192.613   74.658 123.1216 103.4344 
1 1 1   24   16    4 o  355.111   45.744   3.3044   0.7122   3.2486   0.8234   3.4703   1.4194  354.029   45.238  356.193   79.520 -2.163971 91.48708 
1 1 1   24   16    6 o  205.053   51.017   1.1355   0.5356   1.1355   0.5356   0.0000   0.0000  205.053   51.017  ?   ?       ?      ? 
1 1 1   24   16    8 o  730.900   43.919   13.719   1.4208   13.481   1.6306   14.472   2.8956  721.037   43.987  740.764   76.030 -19.72754 87.83720 
1 1 1   24   16   10 o  551.951   48.846   8.0700   1.3119   8.1997   1.6222   7.8246   2.2306  560.504   56.292  543.399   79.844 17.10443 97.69232 
1 1 1   24   16   12 o  505.123   58.051   6.6752   1.5076   6.6752   1.5076   0.0000   0.0000  505.123   58.051  ?   ?       ?      ? 
1 1 1   24   16   14 o  806.137   42.500   16.879   1.7614   16.879   1.7614   0.0000   0.0000  806.137   42.500  ?   ?       ?      ? 
1 1 1   24   16   16 o  314.772   49.546   2.7832   0.6697   2.8808   0.7538   2.4172   1.4592  332.723   44.063  296.822   88.755 35.90094 99.09103 
1 1 1   24   16   18 o  282.027   50.712   2.2548   0.5391   2.3221   0.5718   1.7153   1.6193  299.100   37.182  264.954   94.362 34.14597 101.4233 
1 1 1   24   16   20 o  385.953   43.851   3.1849   0.7314   2.6441   0.8116   5.5228   1.6876  317.641   49.700  454.264   72.260 -136.6224 87.70180 
1 1 1   24   16   22 o  1110.83   39.166   30.884   1.7164   29.969   1.8844   35.342   4.1596  1074.19   34.120  1147.46   70.510 -73.26282 78.33137 
1 1 1   24   16   24 o  517.718   40.965   6.6324   0.8303   6.3796   0.9081   7.9195   2.0491  495.003   35.684  540.433   73.750 -45.43054 81.92904 
1 1 1   24   16   26 o  596.655   45.587   10.440   1.0095   10.910   1.1146   8.2963   2.3805  647.299   33.494  546.011   84.799 101.2876 91.17423 
1 1 1   24   16   28 o  241.953   42.623   1.3846   0.4147   1.2639   0.4509   2.0454   1.0553  215.738   42.167  268.168   74.087 -52.43010 85.24644 
1 1 1   24   16   30 o  210.529   49.386   1.1165   0.5689   1.0282   0.6624   1.3650   1.1106  194.321   60.144  226.738   78.349 -32.41623 98.77128 
1 1 1   24   16   32 o  581.843   35.147   8.8805   1.0514   8.8805   1.0514   0.0000   0.0000  581.843   35.147  ?   ?       ?      ? 
1 1 1   24   16   34 o  553.662   38.750   7.9858   0.8958   7.7568   1.0029   8.8891   1.9924  542.981   35.927  564.343   68.669 -21.36261 77.50007 
1 1 1   24   16   36 o  722.883   38.448   13.653   1.1690   13.233   1.3119   15.273   2.5756  708.332   36.025  737.433   67.934 -29.10168 76.89518 
1 1 1   24   16   38 o  259.331   43.202   1.4714   0.4429   1.2323   0.4802   2.8313   1.1453  210.323   45.716  308.339   73.320 -98.01598 86.40477 
1 1 1   24   16   40 o  143.287   39.664   0.4316   0.3595   0.5091   0.3904   0.0000   0.9215  139.473   46.477  147.102   64.287 -7.629089 79.32753 
1 1 1   24   16   42 o  185.849   41.298   0.8993   0.3643   0.8581   0.4004   1.0969   0.8780  174.314   44.520  197.385   69.571 -23.07022 82.59611 
1 1 1   24   16   44 o  322.650   47.485   2.8888   0.7877   2.8888   0.7877   0.0000   0.0000  322.650   47.485  ?   ?       ?      ? 
1 1 1   24   16   46 o  197.871   40.587   1.1513   0.3884   1.1507   0.4367   1.1536   0.8494  200.449   43.618  195.294   68.459 5.155334 81.17366 
1 1 1   24   17    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17    3 o   86.605   34.454   0.0989   0.2299   0.0989   0.2299   0.0000   0.0000   86.605   34.454  ?   ?       ?      ? 
1 1 1   24   17    5 o  387.715   56.406   3.9194   1.1244   3.9194   1.1244   0.0000   0.0000  387.715   56.406  ?   ?       ?      ? 
1 1 1   24   17    7 o  1246.57   46.281   39.959   2.8511   37.997   3.5338   43.618   4.8258  1206.59   56.966  1286.56   72.958 -79.97791 92.56294 
1 1 1   24   17    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   11 o  1166.66   42.844   35.336   2.5698   35.336   2.5698   0.0000   0.0000  1166.66   42.844  ?   ?       ?      ? 
1 1 1   24   17   13 o  693.269   42.892   12.489   1.5288   12.489   1.5288   0.0000   0.0000  693.269   42.892  ?   ?       ?      ? 
1 1 1   24   17   15 o  389.319   44.373   3.5489   0.7021   3.2257   0.7769   4.9900   1.6406  352.163   42.908  426.475   77.684 -74.31223 88.74640 
1 1 1   24   17   17 o  359.788   49.713   3.0818   0.7200   2.8261   0.7931   4.2802   1.7173  329.025   46.886  390.550   87.677 -61.52579 99.42646 
1 1 1   24   17   19 o  877.916   41.078   18.642   1.5906   17.194   1.8007   23.786   3.3932  811.904   43.138  943.929   69.919 -132.0253 82.15572 
1 1 1   24   17   21 o  500.189   38.594   5.4563   0.7636   4.9053   0.8283   8.5737   1.9702  434.199   37.104  566.179   67.684 -131.9797 77.18715 
1 1 1   24   17   23 o  1062.88   38.920   28.037   1.6483   26.996   1.8119   33.031   3.9687  1018.72   34.595  1107.05   69.730 -88.32318 77.84003 
1 1 1   24   17   25 o  366.773   44.871   3.5209   0.6213   3.4407   0.6808   3.9206   1.5204  363.134   36.465  370.411   82.001 -7.277496 89.74280 
1 1 1   24   17   27 o  167.290   39.502   0.7584   0.3996   0.9579   0.4491   0.0000   0.8757  186.846   46.837  147.735   63.623 39.11093 79.00387 
1 1 1   24   17   29 o  313.634   48.051   3.2118   0.6752   3.6708   0.7751   1.7665   1.3753  373.501   40.363  253.767   87.215 119.7338 96.10184 
1 1 1   24   17   31 o  330.039   37.392   2.8636   0.6345   2.8636   0.6345   0.0000   0.0000  330.039   37.392  ?   ?       ?      ? 
1 1 1   24   17   33 o  189.861   40.148   1.0161   0.3661   1.0766   0.4010   0.7129   0.8978  198.348   40.687  181.375   69.225 16.97334 80.29666 
1 1 1   24   17   35 o  371.058   43.065   3.8088   0.6336   3.7848   0.7087   3.9043   1.4146  378.838   36.385  363.278   78.067 15.55966 86.12983 
1 1 1   24   17   37 o  174.483   43.386   0.6548   0.3897   0.5660   0.4284   1.0810   0.9383  147.081   48.671  201.885   71.837 -54.80396 86.77253 
1 1 1   24   17   39 o  148.577   40.925   0.3568   0.3442   0.2888   0.3739   0.7345   0.8814  118.407   44.796  178.747   68.503 -60.34042 81.84927 
1 1 1   24   17   41 o  433.816   49.216   5.9810   0.7946   6.2722   0.8879   4.8082   1.7816  485.126   35.597  382.506   91.770 102.6208 98.43192 
1 1 1   24   17   43 o  464.922   46.062   5.9541   1.1010   5.9541   1.1010   0.0000   0.0000  464.922   46.062  ?   ?       ?      ? 
1 1 1   24   17   45 o  272.114   47.270   2.2263   0.5235   2.2072   0.5685   2.3327   1.3431  284.622   38.849  259.606   86.189 25.01587 94.53985 
1 1 1   24   18    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18    2 o  608.035   77.958   9.7738   2.4370   0.0000   0.0000   9.7738   2.4370  ?   ?   608.035   77.958      ?      ? 
1 1 1   24   18    4 o  230.546   76.442   1.3440   1.0566   0.0000   0.0000   1.3440   1.0566  ?   ?   230.546   76.442      ?      ? 
1 1 1   24   18    6 o  705.891   54.195   13.352   1.9394   15.120   2.6677   11.370   2.8245  758.130   68.442  653.651   84.049 104.4796 108.3902 
1 1 1   24   18    8 o  308.311   76.744   2.6153   1.2117   2.6153   1.2117   0.0000   0.0000  308.311   76.744  ?   ?       ?      ? 
1 1 1   24   18   10 o  550.720   54.050   8.1272   1.5062   8.5639   1.9978   7.5522   2.2925  569.804   68.196  531.635   83.875 38.16846 108.1002 
1 1 1   24   18   12 o  888.210   38.003   17.855   1.3484   16.430   1.4709   25.358   3.3749  796.375   35.924  980.046   66.980 -183.6707 76.00523 
1 1 1   24   18   14 o  341.205   37.469   1.9764   0.4847   1.5319   0.5172   5.1762   1.3877  239.013   43.702  443.397   60.874 -204.3835 74.93730 
1 1 1   24   18   16 o  323.711   46.342   2.5173   0.5405   2.3975   0.5799   3.3091   1.4914  303.901   37.118  343.521   84.927 -39.62009 92.68444 
1 1 1   24   18   18 o  629.738   45.391   10.661   1.0428   10.722   1.1331   10.321   2.6649  642.856   34.284  616.620   84.060 26.23633 90.78238 
1 1 1   24   18   20 o  396.929   42.517   3.1466   0.7160   2.3797   0.7914   6.6097   1.6816  296.187   53.957  497.672   65.723 -201.4850 85.03427 
1 1 1   24   18   22 o  226.080   47.458   0.9201   0.3848   0.7942   0.4030   2.2180   1.2943  170.997   45.170  281.164   83.478 -110.1666 94.91527 
1 1 1   24   18   24 o  780.714   41.901   16.113   1.2695   16.024   1.3963   16.536   3.0491  784.290   34.629  777.138   76.313 7.151672 83.80273 
1 1 1   24   18   26 f  461.767   50.246   6.4065   0.8114   6.6557   0.8891   5.1649   1.9844  505.109   34.236  418.424   94.480 86.68497 100.4918 
1 1 1   24   18   28 o  720.673   47.867   14.109   1.7426   13.620   2.2492   14.844   2.7561  708.900   61.711  732.446   73.189 -23.54529 95.73353 
1 1 1   24   18   30 o  760.853   42.433   15.308   1.6599   15.308   1.6599   0.0000   0.0000  760.853   42.433  ?   ?       ?      ? 
1 1 1   24   18   32 o  419.546   39.572   4.3547   0.6739   4.1074   0.7428   5.5053   1.6022  395.119   36.565  443.974   70.191 -48.85434 79.14398 
1 1 1   24   18   34 o  581.357   37.602   8.5119   0.9206   8.0557   1.0282   10.356   2.0672  552.908   36.169  609.806   65.936 -56.89862 75.20441 
1 1 1   24   18   36 o  201.524   41.464   1.1005   0.3793   1.0996   0.4154   1.1051   0.9304  199.689   41.804  203.360   71.621 -3.671646 82.92853 
1 1 1   24   18   38 o  220.456   44.594   1.3430   0.4729   1.2981   0.5379   1.4959   0.9921  214.433   49.754  226.479   74.021 -12.04556 89.18877 
1 1 1   24   18   40 o  229.909   47.451   1.4141   0.5153   1.2825   0.5803   1.9052   1.1209  211.165   53.413  248.652   78.443 -37.48708 94.90165 
1 1 1   24   18   42 o  415.892   45.945   4.7506   0.9824   4.7506   0.9824   0.0000   0.0000  415.892   45.945  ?   ?       ?      ? 
1 1 1   24   18   44 o  155.610   40.704   0.5990   0.3379   0.6267   0.3599   0.3931   0.9814  149.014   43.967  162.206   68.513 -13.19223 81.40773 
1 1 1   24   18   46 o  361.065   44.881   3.7471   0.6561   3.5733   0.7345   4.4337   1.4595  360.279   39.652  361.852   80.528 -1.572937 89.76119 
1 1 1   24   19    1 o  843.250   53.934   18.906   2.3186   21.680   3.2829   16.145   3.2752  907.060   70.397  779.439   81.731 127.6218 107.8690 
1 1 1   24   19    3 o  278.171   53.987   2.0926   0.8570   0.9749   1.2371   3.1237   1.1882  218.017   81.699  338.325   70.594 -120.3075 107.9736 
1 1 1   24   19    5 o  640.814   56.204   11.159   1.7955   13.856   2.5008   8.2902   2.5794  725.596   67.038  556.032   90.231 169.5632 112.4084 
1 1 1   24   19    7 o  1409.75   51.556   52.386   3.7294   48.942   5.0918   56.372   5.4777  1360.01   72.822  1459.50   73.001 -99.49255 103.1122 
1 1 1   24   19    9 o  1275.04   52.016   43.135   3.3865   43.319   4.5411   42.905   5.0833  1280.45   68.980  1269.62   77.875 10.82678 104.0324 
1 1 1   24   19   11 f  728.487   42.210   11.999   1.4177   9.8828   1.6254   18.731   2.8987  615.012   51.406  841.961   66.964 -226.9483 84.41991 
1 1 1   24   19   13 o  846.103   41.642   17.413   1.5455   16.230   1.7480   21.651   3.3080  789.696   43.054  902.509   71.292 -112.8125 83.28384 
1 1 1   24   19   15 o  782.510   41.581   15.099   1.4575   14.110   1.6663   18.320   3.0074  735.702   44.054  829.318   70.534 -93.61615 83.16170 
1 1 1   24   19   17 o  411.896   55.092   4.6723   1.1146   4.4803   1.4710   4.9311   1.7079  403.246   73.667  420.546   81.937 -17.29984 110.1843 
1 1 1   24   19   19 o  500.431   57.071   7.4214   1.0607   7.7287   1.1773   6.0970   2.4441  544.056   42.091  456.805  106.097 87.25064 114.1414 
1 1 1   24   19   21 f  212.174   49.620   0.8164   0.4528   0.6683   0.4828   1.8985   1.3048  160.726   51.563  263.622   84.793 -102.8962 99.24012 
1 1 1   24   19   23 o  725.970   39.758   12.548   1.1242   11.829   1.2233   16.449   2.8505  673.703   35.318  778.237   71.243 -104.5338 79.51698 
1 1 1   24   19   25 o  539.636   44.920   7.7754   0.8989   7.7369   0.9785   7.9833   2.2756  544.461   34.956  534.811   82.761 9.649658 89.83997 
1 1 1   24   19   27 o  190.817   47.537   0.9112   0.5715   0.9956   0.7164   0.7636   0.9478  193.380   62.890  188.254   71.301 5.125458 95.07372 
1 1 1   24   19   29 o  629.143   43.011   10.471   1.3912   10.471   1.3912   0.0000   0.0000  629.143   43.011  ?   ?       ?      ? 
1 1 1   24   19   31 o  786.092   39.683   16.114   1.2653   15.717   1.4042   17.828   2.9183  773.608   35.305  798.576   71.080 -24.96729 79.36539 
1 1 1   24   19   33 o  418.331   47.158   5.3806   0.7488   5.6934   0.8412   4.1860   1.6438  465.219   35.169  371.442   87.515 93.77667 94.31677 
1 1 1   24   19   35 o  301.908   46.451   2.9654   0.5764   3.2077   0.6396   1.9184   1.3297  348.646   35.681  255.171   85.776 93.47467 92.90156 
1 1 1   24   19   37 o  427.735   53.542   5.5365   1.1178   6.6881   1.5263   4.2044   1.6416  489.275   60.676  366.195   88.234 123.0792 107.0833 
1 1 1   24   19   39 o  458.858   55.801   7.6133   1.0580   9.1485   1.2568   3.8805   1.9597  582.841   41.943  334.875  103.421 247.9667 111.6023 
1 1 1   24   19   41 o  512.681   63.609   7.6119   1.6766   7.6119   1.6766   0.0000   0.0000  512.681   63.609  ?   ?       ?      ? 
1 1 1   24   19   43 o  535.760   44.441   7.9018   1.0828   7.3005   1.2514   9.6929   2.1598  512.262   47.515  559.259   75.116 -46.99701 88.88282 
1 1 1   24   19   45 o  260.027   47.515   2.1282   0.5792   2.1530   0.6532   2.0369   1.2525  277.136   45.844  242.918   83.240 34.21791 95.02974 
1 1 1   24   20    0 o  534.047   88.064   8.0359   2.2203   0.0000   0.0000   8.0359   2.2203  534.047   88.064  534.047   88.064 -0.000000 0.000000 
1 1 1   24   20    2 o  742.628   54.613   14.717   2.0702   16.577   2.9154   12.825   2.9401  791.876   71.610  693.380   82.476 98.49603 109.2257 
1 1 1   24   20    4 o  217.741   47.319   1.2577   0.5441   1.3241   0.6334   1.0709   1.0630  220.789   55.778  214.692   76.454 6.097107 94.63870 
1 1 1   24   20    6 o  317.969   42.932   2.0609   0.6284   1.2617   0.7199   4.6190   1.2880  216.401   61.698  419.537   59.715 -203.1365 85.86310 
1 1 1   24   20    8 o  497.482   53.446   6.5458   1.3622   5.8612   1.8544   7.3482   2.0076  469.102   76.889  525.862   74.257 -56.75989 106.8920 
1 1 1   24   20   10 o  268.260   47.012   1.8140   0.5623   1.6834   0.6368   2.2755   1.1973  249.378   51.380  287.141   78.745 -37.76230 94.02481 
1 1 1   24   20   12 o  1373.33   39.929   46.194   2.1305   44.528   2.3254   54.902   5.3166  1310.75   34.507  1435.92   72.017 -125.1724 79.85705 
1 1 1   24   20   14 o  439.706   51.674   5.7873   0.9155   6.2483   1.0489   4.3137   1.8754  489.852   41.649  389.560   94.584 100.2918 103.3483 
1 1 1   24   20   16 o  593.083   43.898   8.8899   1.1246   8.5376   1.2711   10.160   2.4131  571.959   43.227  614.207   76.417 -42.24792 87.79599 
1 1 1   24   20   18 o  682.597   53.766   13.071   1.7964   14.764   2.3260   10.568   2.8279  745.614   60.678  619.581   88.777 126.0330 107.5321 
1 1 1   24   20   20 o  508.521   50.339   7.2956   1.0461   7.4995   1.1943   6.6238   2.1681  535.119   43.411  481.923   90.837 53.19595 100.6771 
1 1 1   24   20   22 o  563.686   43.658   7.6561   1.0640   7.0003   1.1930   10.206   2.3524  516.061   44.963  611.310   74.849 -95.24945 87.31577 
1 1 1   24   20   24 o  809.268   45.936   17.656   1.5727   17.612   1.7806   17.812   3.3537  818.642   42.307  799.895   81.550 18.74768 91.87148 
1 1 1   24   20   26 o  748.652   49.776   14.900   1.8434   13.640   2.2763   17.301   3.1418  709.373   62.416  787.932   77.557 -78.55823 99.55267 
1 1 1   24   20   28 o  429.883   68.419   5.0964   1.5122   5.0964   1.5122   0.0000   0.0000  429.883   68.419  ?   ?       ?      ? 
1 1 1   24   20   30 o  202.767   42.155   1.2520   0.4788   1.5208   0.5485   0.3912   0.9816  235.013   47.033  170.521   69.972 64.49213 84.30996 
1 1 1   24   20   32 o  271.016   45.650   1.8054   0.5381   1.5576   0.6045   2.7511   1.1810  236.301   51.235  305.731   75.568 -69.42947 91.29947 
1 1 1   24   20   34 o  448.188   47.939   5.7753   0.9322   5.8684   1.0909   5.5235   1.7943  468.042   45.336  428.333   84.482 39.70953 95.87742 
1 1 1   24   20   36 o  484.357   41.532   6.2347   0.9276   5.8974   1.0831   7.1627   1.7967  468.188   44.998  500.527   69.820 -32.33954 83.06354 
1 1 1   24   20   38 o  299.829   49.992   2.8215   0.8079   3.7579   1.0711   1.5860   1.2304  367.097   56.754  232.560   82.315 134.5372 99.98376 
1 1 1   24   20   40 o  480.103   58.189   7.7903   1.3029   10.905   1.7614   4.0259   1.9363  623.431   54.953  336.776  102.587 286.6554 116.3785 
1 1 1   24   20   42 o  234.546   49.018   1.3657   0.5220   1.1217   0.5773   2.4594   1.2223  195.463   55.087  273.630   81.096 -78.16736 98.03681 
1 1 1   24   20   44 o  205.441   46.628   0.9791   0.4684   0.7160   0.5207   2.0933   1.0717  159.386   53.677  251.496   76.259 -92.10985 93.25630 
1 1 1   24   21    1 o  762.849   53.739   15.524   2.0967   17.256   2.9617   13.784   2.9688  807.143   71.371  718.554   80.361 88.58905 107.4790 
1 1 1   24   21    3 o  1163.21   53.400   36.065   3.1851   37.787   4.4248   34.214   4.5885  1193.80   72.092  1132.62   78.798 61.18408 106.8007 
1 1 1   24   21    5 o  302.330   51.194   2.5434   0.7378   2.6714   0.8649   2.2013   1.4142  319.638   52.629  285.023   87.827 34.61481 102.3882 
1 1 1   24   21    7 f  225.945   48.759   1.2692   0.5326   1.2197   0.5965   1.4636   1.1826  211.847   54.463  240.044   80.892 -28.19716 97.51799 
1 1 1   24   21    9 o  838.717   54.133   19.106   2.2903   21.252   3.0856   16.474   3.4177  895.769   67.001  781.665   85.044 114.1046 108.2664 
1 1 1   24   21   11 o  1311.34   39.799   40.104   2.1774   36.889   2.4087   54.475   5.0927  1191.33   39.326  1431.34   69.205 -240.0033 79.59788 
1 1 1   24   21   13 o  174.905   42.671   0.5106   0.3071   0.4374   0.3229   1.2061   0.9948  131.183   42.178  218.626   74.190 -87.44232 85.34129 
1 1 1   24   21   15 o  1036.76   41.103   27.170   1.6338   26.564   1.7831   30.342   4.0792  1011.59   34.285  1061.93   74.716 -50.33624 82.20666 
1 1 1   24   21   17 o  262.679   47.506   1.8206   0.5532   1.7709   0.6203   2.0140   1.2236  255.637   48.976  269.720   81.415 -14.08275 95.01134 
1 1 1   24   21   19 o  935.849   42.254   22.257   1.7358   21.316   1.9751   25.452   3.6380  902.391   42.571  969.306   73.001 -66.91541 84.50750 
1 1 1   24   21   21 o  289.507   46.045   2.4316   0.5137   2.5061   0.5576   2.0136   1.3209  310.117   34.972  268.898   85.190 41.21884 92.08928 
1 1 1   24   21   23 o  156.201   42.266   0.4576   0.3076   0.4621   0.3210   0.4058   1.0771  133.270   41.971  179.131   73.377 -45.86111 84.53259 
1 1 1   24   21   25 o  534.241   42.461   7.5212   1.1663   7.5212   1.1663   0.0000   0.0000  534.241   42.461  ?   ?       ?      ? 
1 1 1   24   21   27 o  421.004   45.360   4.7012   0.9818   4.7012   0.9818   0.0000   0.0000  421.004   45.360  ?   ?       ?      ? 
1 1 1   24   21   29 o  748.216   44.341   15.243   1.4584   15.147   1.6779   15.540   2.9497  755.746   43.183  740.687   77.459 15.05957 88.68283 
1 1 1   24   21   31 o  165.014   37.182   0.7939   0.3365   0.9351   0.3653   0.0000   0.8659  184.740   39.642  145.289   62.917 39.45131 74.36433 
1 1 1   24   21   33 o  397.132   44.057   4.1403   0.6609   3.9901   0.7244   4.8864   1.6149  388.860   36.234  405.405   80.320 -16.54437 88.11426 
1 1 1   24   21   35 o  200.924   36.655   1.3753   0.4008   1.6878   0.4441   0.0000   0.9316  252.934   34.148  148.915   64.871 104.0190 73.30925 
1 1 1   24   21   37 o  542.867   41.103   7.5839   1.0435   6.7463   1.2174   9.9042   2.0263  498.035   47.544  587.700   67.062 -89.66486 82.20577 
1 1 1   24   21   39 o  246.932   49.945   1.8961   0.6969   2.4176   0.9318   1.2338   1.0500  284.792   65.061  209.073   75.796 75.71910 99.88926 
1 1 1   24   21   41 o  316.703   44.571   2.9846   0.5809   3.0009   0.6533   2.9231   1.2691  333.530   38.099  299.876   80.590 33.65475 89.14225 
1 1 1   24   21   43 o  264.659   46.540   2.1341   0.5282   2.1359   0.5808   2.1256   1.2702  279.306   40.443  250.012   83.835 29.29445 93.08071 
1 1 1   24   22    0 o  221.536   95.993   1.8428   1.1285   1.8428   1.1285   0.0000   0.0000  221.536   95.993  221.536   95.993 0.000000 0.000000 
1 1 1   24   22    2 o  518.912   57.154   7.3149   1.4737   6.0688   2.0503   8.6466   2.1196  467.437   88.555  570.387   72.279 -102.9496 114.3080 
1 1 1   24   22    4 o  611.347   47.828   9.7777   1.3887   9.5854   1.6649   10.217   2.5178  604.940   53.531  617.755   79.276 -12.81598 95.65669 
1 1 1   24   22    6 o  330.686   51.056   3.2252   0.7993   3.6419   0.9568   2.2624   1.4544  373.249   49.858  288.124   89.113 85.12592 102.1126 
1 1 1   24   22    8 o  491.545   42.238   5.5224   0.9645   4.5412   1.1113   8.5176   1.9417  416.336   51.920  566.754   66.638 -150.4174 84.47653 
1 1 1   24   22   10 o  544.553   42.571   7.0323   1.0459   6.2715   1.1920   9.5784   2.1805  489.835   47.332  599.271   70.774 -109.4365 85.14228 
1 1 1   24   22   12 o  774.865   44.999   16.162   1.2919   16.271   1.4089   15.582   3.2372  791.813   34.610  757.916   83.077 33.89624 89.99831 
1 1 1   24   22   14 o  803.932   51.392   19.746   1.4181   20.810   1.5462   14.110   3.5582  895.394   33.588  712.470   97.140 182.9239 102.7830 
1 1 1   24   22   16 o  921.772   41.501   21.216   1.4556   20.592   1.5834   24.619   3.6985  890.037   34.603  953.507   75.445 -63.47009 83.00156 
1 1 1   24   22   18 o  622.404   47.976   11.033   1.0536   11.298   1.1440   9.5507   2.7047  659.087   33.759  585.721   89.817 73.36652 95.95233 
1 1 1   24   22   20 o  908.142   40.472   20.611   1.4267   19.917   1.5587   24.196   3.5423  874.276   34.677  942.007   73.141 -67.73108 80.94450 
1 1 1   24   22   22 o  377.373   45.886   3.5738   0.7262   3.3097   0.8162   4.5776   1.5911  354.378   44.796  400.368   80.096 -45.98996 91.77161 
1 1 1   24   22   24 o  852.109   41.890   19.122   1.8352   19.122   1.8352   0.0000   0.0000  852.109   41.890  ?   ?       ?      ? 
1 1 1   24   22   26 o  289.379   46.595   3.0462   0.5860   3.4600   0.6385   0.8358   1.4756  363.621   34.154  215.136   86.706 148.4850 93.19034 
1 1 1   24   22   28 o  284.849   47.649   2.2059   0.6000   2.1143   0.6810   2.5236   1.2683  277.386   49.573  292.312   81.390 -14.92593 95.29842 
1 1 1   24   22   30 o  171.622   37.838   0.8788   0.3544   1.0370   0.3850   0.0000   0.9076  194.726   39.800  148.518   64.365 46.20711 75.67625 
1 1 1   24   22   32 o  354.239   50.915   4.0309   0.6848   4.2571   0.7522   2.9359   1.6552  401.662   36.426  306.815   95.093 94.84692 101.8309 
1 1 1   24   22   34 o  490.078   54.327   8.0266   0.9302   8.6047   1.0306   5.4846   2.1611  570.800   35.118  409.354  102.823 161.4461 108.6550 
1 1 1   24   22   36 o  374.953   46.360   3.9347   0.6630   3.8689   0.7308   4.2401   1.5755  381.343   37.275  368.564   84.896 12.77850 92.71902 
1 1 1   24   22   38 o  332.997   48.480   3.0762   0.8716   1.1107   1.1278   5.9908   1.3733  204.992   77.743  461.003   57.943 -256.0103 96.96081 
1 1 1   24   22   40 o  280.857   44.510   2.8384   0.5746   3.2637   0.6482   1.2796   1.2410  348.854   36.142  212.860   81.353 135.9933 89.02029 
1 1 1   24   22   42 o  241.693   45.250   1.5228   0.5230   1.1500   0.6069   2.5987   1.0310  196.477   56.845  286.910   70.420 -90.43297 90.49993 
1 1 1   24   22   44 o  251.138   47.272   1.8350   0.4828   1.7792   0.5180   2.2042   1.3331  254.171   39.641  248.104   85.832 6.066559 94.54420 
1 1 1   24   23    1 o  937.841   54.276   23.535   2.6160   22.634   3.6698   24.465   3.7300  919.171   77.657  956.511   75.849 -37.34003 108.5528 
1 1 1   24   23    3 o  1036.45   53.756   28.714   2.8622   27.176   3.9840   30.354   4.1146  1007.32   76.929  1065.58   75.106 -58.26489 107.5123 
1 1 1   24   23    5 o  565.410   45.637   7.6193   1.2312   6.3584   1.4492   10.890   2.3340  491.519   57.347  639.301   71.010 -147.7823 91.27473 
1 1 1   24   23    7 o  425.980   60.498   5.0736   1.2699   5.0991   1.6914   5.0407   1.9226  429.295   79.565  422.664   91.156 6.630859 120.9961 
1 1 1   24   23    9 o  826.683   52.808   18.086   2.2250   15.203   2.9722   21.761   3.3557  751.721   76.905  901.645   72.390 -149.9249 105.6156 
1 1 1   24   23   11 o  461.867   36.593   4.2265   0.6242   3.7343   0.6648   7.8863   1.8127  379.303   34.091  544.432   64.761 -165.1281 73.18594 
1 1 1   24   23   13 o  385.607   51.798   4.5410   0.7050   4.7471   0.7658   3.3966   1.8044  427.416   34.851  343.799   97.558 83.61673 103.5961 
1 1 1   24   23   15 o  444.398   50.015   5.5799   0.7708   5.6588   0.8366   5.1365   1.9826  466.449   34.885  422.347   93.749 44.10175 100.0294 
1 1 1   24   23   17 o  227.908   44.666   1.1314   0.4656   0.8746   0.5218   2.1352   1.0317  180.092   52.882  275.723   71.999 -95.63132 89.33298 
1 1 1   24   23   19 o  209.471   45.162   1.1055   0.4506   1.0632   0.5010   1.2845   1.0310  196.841   49.544  222.102   75.524 -25.26106 90.32442 
1 1 1   24   23   21 o  654.151   44.045   11.032   1.2290   10.639   1.3845   12.496   2.6697  636.121   42.332  672.180   77.251 -36.05951 88.08910 
1 1 1   24   23   23 o  420.158   34.797   4.6151   0.7517   4.6151   0.7517   0.0000   0.0000  420.158   34.797  ?   ?       ?      ? 
1 1 1   24   23   25 o  234.422   44.519   1.5292   0.4442   1.5671   0.4796   1.3009   1.1778  244.167   38.204  224.676   80.426 19.49147 89.03873 
1 1 1   24   23   27 o  286.746   48.025   2.2258   0.6104   2.1187   0.6938   2.5928   1.2842  277.368   50.515  296.124   81.694 -18.75531 96.05034 
1 1 1   24   23   29 o  169.211   43.805   0.5785   0.3732   0.5332   0.4011   0.8701   1.0181  143.410   47.075  195.012   73.888 -51.60184 87.60991 
1 1 1   24   23   31 f  565.684   41.879   8.2867   0.9334   8.0071   1.0256   9.6371   2.2537  551.000   36.202  580.368   75.530 -29.36749 83.75747 
1 1 1   24   23   33 o  144.769   37.712   0.4590   0.2947   0.4634   0.3195   0.4343   0.7636  132.307   41.896  157.230   62.719 -24.92299 75.42467 
1 1 1   24   23   35 o  252.434   45.324   2.0156   0.4914   2.1380   0.5324   1.3114   1.2771  283.758   36.492  221.110   82.979 62.64771 90.64856 
1 1 1   24   23   37 o  514.405   50.298   7.6306   1.3158   6.8239   1.7133   8.7903   2.0543  483.887   68.869  544.923   73.325 -61.03568 100.5957 
1 1 1   24   23   39 o  150.500   42.306   0.2943   0.4771   0.0000   0.5836   0.8874   0.8285  118.463   51.476  182.537   67.152 -64.07404 84.61185 
1 1 1   24   23   41 o  127.572   35.889   0.0822   0.2250   0.0000   0.2362   0.8847   0.7381   77.167   33.135  177.977   63.673 -100.8099 71.77879 
1 1 1   24   23   43 o  213.534   41.312   1.1981   0.3911   1.0572   0.4347   1.7969   0.8961  191.076   44.991  235.992   69.300 -44.91592 82.62424 
1 1 1   24   24    0 o  745.671   81.471   15.136   3.0286   15.136   3.0286   0.0000   0.0000  745.671   81.471  745.671   81.471 0.000000 0.000000 
1 1 1   24   24    2 o  1037.53   54.183   28.906   2.8747   25.191   4.0019   32.867   4.1320  966.316   80.553  1108.74   72.487 -142.4213 108.3659 
1 1 1   24   24    4 o  1133.03   45.751   33.274   2.5028   31.813   3.0275   36.429   4.4483  1100.29   53.519  1165.77   74.219 -65.48047 91.50228 
1 1 1   24   24    6 o  210.734   47.957   1.1888   0.5635   1.3242   0.6541   0.7992   1.1098  220.051   57.263  201.417   76.944 18.63377 95.91357 
1 1 1   24   24    8 o  467.215   47.668   5.7232   1.1035   6.2024   1.8518   5.4594   1.3741  480.084   75.026  454.346   58.823 25.73822 95.33640 
1 1 1   24   24   10 o  591.849   37.070   7.3549   0.8828   6.4129   0.9591   12.577   2.2583  496.408   37.580  687.290   63.910 -190.8818 74.14045 
1 1 1   24   24   12 o  415.606   46.357   4.3446   0.6274   4.2365   0.6671   5.1715   1.8452  404.025   32.118  427.187   86.973 -23.16226 92.71327 
1 1 1   24   24   14 o  242.783   45.476   1.6336   0.4598   1.6840   0.4948   1.3147   1.2445  254.129   37.871  231.437   82.692 22.69177 90.95177 
1 1 1   24   24   16 o  556.762   46.689   8.6061   0.9445   8.7296   1.0287   7.9430   2.3839  579.010   34.558  534.514   86.748 44.49640 93.37791 
1 1 1   24   24   18 o  125.687   36.319   0.2232   0.3004   0.2654   0.3275   0.0000   0.7531  113.601   42.142  137.773   59.163 -24.17170 72.63774 
1 1 1   24   24   20 o  291.905   43.187   2.2432   0.6481   2.2432   0.6481   0.0000   0.0000  291.905   43.187  ?   ?       ?      ? 
1 1 1   24   24   22 o   86.721   33.931   0.1191   0.2196   0.1191   0.2196   0.0000   0.0000   86.721   33.931  ?   ?       ?      ? 
1 1 1   24   24   24 o  442.476   52.622   6.2823   0.8143   6.6632   0.8946   4.4419   1.9666  504.483   34.493  380.469   99.431 124.0140 105.2434 
1 1 1   24   24   26 o  514.628   42.026   6.6864   0.8366   6.4224   0.9130   8.0691   2.0894  494.477   35.912  534.778   75.993 -40.30093 84.05132 
1 1 1   24   24   28 o  138.416   39.094   0.3514   0.2820   0.3827   0.2943   0.0000   0.9862  122.511   40.327  154.321   66.986 -31.81076 78.18792 
1 1 1   24   24   30 o  194.152   43.255   1.0746   0.3936   1.1525   0.4175   0.4500   1.1824  204.999   41.041  183.304   76.156 21.69502 86.51063 
1 1 1   24   24   32 o  251.378   46.380   1.5551   0.4551   1.4461   0.4887   2.2667   1.2485  229.264   43.045  273.492   82.167 -44.22852 92.75956 
1 1 1   24   24   34 o  347.835   47.357   3.4350   0.6297   3.4013   0.6920   3.5974   1.5190  357.616   37.635  338.054   86.917 19.56192 94.71499 
1 1 1   24   24   36 o  224.625   47.649   1.1466   0.4823   0.9147   0.5299   2.2646   1.1635  179.645   53.434  269.605   78.908 -89.95985 95.29728 
1 1 1   24   24   38 o  202.009   43.574   0.7131   0.4140   0.4013   0.4533   2.2784   1.0157  132.670   49.508  271.349   71.721 -138.6786 87.14894 
1 1 1   24   24   40 f  282.879   37.714   2.1639   0.5485   2.1639   0.5485   0.0000   0.0000  282.879   37.714  ?   ?       ?      ? 
1 1 1   24   24   42 o  264.031   43.274   2.2418   0.4994   2.3463   0.5599   1.8347   1.1051  293.624   37.089  234.438   78.197 59.18596 86.54706 
1 1 1   24   25    1 o  461.204   60.041   5.9450   1.3782   7.0253   1.9321   4.8259   1.9664  511.501   73.470  410.907   94.983 100.5940 120.0812 
1 1 1   24   25    3 o  868.553   54.718   20.283   2.4337   17.932   3.3416   22.938   3.5515  813.817   79.865  923.289   74.818 -109.4722 109.4355 
1 1 1   24   25    5 o  409.437   52.118   4.4417   0.9769   4.2432   1.1558   4.9382   1.8282  400.935   56.069  417.939   87.871 -17.00479 104.2360 
1 1 1   24   25    7 o  542.151   48.852   7.9006   1.2446   7.9437   1.4905   7.8015   2.2620  549.167   52.791  535.135   82.215 14.03168 97.70471 
1 1 1   24   25    9 o  351.090   39.277   2.1873   0.5413   1.6609   0.5827   5.5023   1.4622  247.689   47.484  454.490   62.578 -206.8012 78.55420 
1 1 1   24   25   11 o  402.964   35.660   2.9816   0.5356   2.5150   0.5697   6.5352   1.5723  310.865   35.645  495.063   61.773 -184.1987 71.31964 
1 1 1   24   25   13 o  541.653   50.920   8.3222   0.9531   8.4544   1.0363   7.5959   2.4285  569.783   35.375  513.522   95.499 56.26093 101.8408 
1 1 1   24   25   15 o  386.048   48.446   4.1155   0.6747   4.1242   0.7342   4.0679   1.7108  397.683   35.909  374.413   89.991 23.26971 96.89107 
1 1 1   24   25   17 o  240.635   51.505   1.5414   0.6567   1.4125   0.7944   1.8196   1.1668  225.748   64.955  255.523   79.949 -29.77451 103.0098 
1 1 1   24   25   19 o  450.899   59.331   5.4690   1.3754   5.4690   1.3754   0.0000   0.0000  450.899   59.331  ?   ?       ?      ? 
1 1 1   24   25   21 o  361.533   43.662   3.0188   0.5803   2.7710   0.6253   4.5558   1.5575  325.061   37.417  398.005   78.901 -72.94394 87.32332 
1 1 1   24   25   23 o  737.040   41.029   13.678   1.1800   13.150   1.2906   16.369   2.9139  708.286   35.441  765.794   74.010 -57.50775 82.05795 
1 1 1   24   25   25 o  583.306   43.204   8.7879   0.9529   8.5469   1.0370   10.096   2.4161  570.593   35.350  596.018   78.846 -25.42480 86.40750 
1 1 1   24   25   27 o  591.307   48.018   9.9668   1.1990   10.178   1.3683   9.2686   2.4888  618.875   43.003  563.739   85.870 55.13635 96.03630 
1 1 1   24   25   29 o  140.823   38.124   0.4223   0.3564   0.5311   0.3997   0.0000   0.7877  142.925   46.999  138.721   60.041 4.204086 76.24789 
1 1 1   24   25   31 o  225.098   45.030   1.2050   0.4097   1.1047   0.4399   1.8617   1.1258  199.543   44.057  250.653   78.548 -51.11040 90.05984 
1 1 1   24   25   33 o  171.319   42.818   0.6262   0.3238   0.5919   0.3411   0.9384   1.0289  146.816   42.653  195.822   74.259 -49.00655 85.63669 
1 1 1   24   25   35 o  162.208   41.437   0.6551   0.3784   0.6933   0.4148   0.4656   0.9235  158.024   47.334  166.391   68.026 -8.367615 82.87370 
1 1 1   24   25   37 o  474.408   47.453   6.1681   0.9952   5.7625   1.1358   7.5087   2.0649  457.104   48.330  491.712   81.679 -34.60791 94.90646 
1 1 1   24   25   39 o  492.399   49.283   7.2046   1.0352   7.0861   1.1962   7.5581   2.0663  506.242   45.959  478.556   87.196 27.68579 98.56648 
1 1 1   24   25   41 o  313.130   49.756   3.4855   0.6456   3.7162   0.7101   2.3857   1.5503  369.630   37.367  256.630   92.231 113.0008 99.51279 
1 1 1   24   26    0 o  397.589   97.691   4.8597   1.7292   4.8597   1.7292   0.0000   0.0000  397.589   97.691  397.589   97.691 0.000000 0.000000 
1 1 1   24   26    2 o  528.664   57.945   7.6784   1.5333   6.7209   2.1127   8.7441   2.2288  488.832   87.266  568.496   76.257 -79.66388 115.8900 
1 1 1   24   26    4 o  488.647   48.767   6.1221   1.1365   5.6786   1.3528   7.1863   2.0956  463.193   56.806  514.101   79.285 -50.90805 97.53448 
1 1 1   24   26    6 o  253.518   51.181   1.6492   0.6407   1.4795   0.7485   2.1141   1.2389  231.685   61.729  275.351   81.656 -43.66658 102.3627 
1 1 1   24   26    8 o  301.039   33.583   2.1572   0.4670   1.9064   0.5391   2.9125   0.9353  270.336   38.785  331.741   54.837 -61.40598 67.16663 
1 1 1   24   26   10 o  341.710   45.688   2.9586   0.5335   2.8798   0.5698   3.5179   1.5183  332.810   33.303  350.609   85.090 -17.79828 91.37534 
1 1 1   24   26   12 o  366.023   48.397   3.4132   0.5931   3.3250   0.6317   4.0694   1.7233  357.353   34.383  374.693   90.482 -17.34091 96.79420 
1 1 1   24   26   14 o  991.383   46.147   26.084   1.8976   25.784   2.1277   27.251   4.1951  991.510   41.739  991.257   82.316 0.2525635 92.29303 
1 1 1   24   26   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   26   18 o  501.280   43.057   6.6216   1.1097   6.6216   1.1097   0.0000   0.0000  501.280   43.057  ?   ?       ?      ? 
1 1 1   24   26   20 o  527.494   40.442   6.6650   0.8324   6.2561   0.9061   8.8780   2.1079  488.685   36.064  566.303   72.398 -77.61871 80.88334 
1 1 1   24   26   22 f  342.941   42.520   2.6716   0.5485   2.4091   0.5928   4.2314   1.4451  302.663   38.098  383.219   76.029 -80.55670 85.04057 
1 1 1   24   26   24 o  567.167   41.755   8.0845   0.9154   7.7479   0.9983   9.8619   2.2941  543.090   35.755  591.244   75.469 -48.15369 83.51051 
1 1 1   24   26   26 o  320.727   49.338   2.9573   0.5797   2.9754   0.6246   2.8445   1.5584  336.216   36.131  305.237   91.822 30.97922 98.67533 
1 1 1   24   26   28 o  267.092   49.585   2.0366   0.5952   2.0634   0.6583   1.9163   1.3930  277.551   46.131  256.633   87.788 20.91818 99.17065 
1 1 1   24   26   30 o  277.979   46.407   2.3336   0.5112   2.4074   0.5540   1.9102   1.3266  301.895   35.692  254.064   85.676 47.83087 92.81310 
1 1 1   24   26   32 o  580.614   42.373   8.7113   0.9687   8.3295   1.0626   10.591   2.3577  560.120   36.898  601.107   76.291 -40.98596 84.74503 
1 1 1   24   26   34 o  446.264   45.991   5.4136   1.0552   5.4136   1.0552   0.0000   0.0000  446.264   45.991  ?   ?       ?      ? 
1 1 1   24   26   36 o  161.613   40.867   0.6377   0.3160   0.6546   0.3328   0.4822   1.0090  152.965   41.335  170.261   70.511 -17.29521 81.73375 
1 1 1   24   26   38 o  195.246   48.065   0.9373   0.4680   0.8412   0.5093   1.4588   1.1865  171.306   52.690  219.186   80.404 -47.87970 96.13005 
1 1 1   24   26   40 o  259.131   47.162   1.8529   0.4946   1.7538   0.5342   2.4486   1.3092  252.628   41.130  265.634   84.883 -13.00606 94.32315 
1 1 1   24   27    1 o  423.435   48.418   4.6863   0.9002   5.3290   1.7977   4.4711   1.0400  434.653   83.481  412.217   49.074 22.43622 96.83653 
1 1 1   24   27    3 o  871.365   41.116   17.549   1.6579   14.600   1.9065   26.698   3.3580  744.546   49.806  998.184   65.433 -253.6381 82.23155 
1 1 1   24   27    5 o  362.182   48.481   3.3992   0.6716   3.2975   0.7351   3.9117   1.6512  355.262   40.249  369.101   88.214 -13.83957 96.96181 
1 1 1   24   27    7 o  537.235   45.218   7.5778   1.2489   7.5778   1.2489   0.0000   0.0000  537.235   45.218  ?   ?       ?      ? 
1 1 1   24   27    9 o  351.256   50.481   3.3318   0.7682   3.2655   0.8761   3.5524   1.5975  351.949   48.420  350.563   88.594 1.386444 100.9621 
1 1 1   24   27   11 o  255.805   50.957   1.6129   0.5973   1.4404   0.6697   2.2830   1.3202  228.132   57.206  283.478   84.343 -55.34590 101.9132 
1 1 1   24   27   13 o  826.252   78.978   18.880   3.3550   18.880   3.3550   0.0000   0.0000  826.252   78.978  ?   ?       ?      ? 
1 1 1   24   27   15 o  178.831   43.414   0.8749   0.3951   0.8749   0.3951   0.0000   0.0000  178.831   43.414  ?   ?       ?      ? 
1 1 1   24   27   17 o  301.113   47.645   2.8369   0.5725   3.0183   0.6266   1.9207   1.4083  339.625   35.888  262.603   88.275 77.02191 95.29082 
1 1 1   24   27   19 o  694.315   41.363   11.896   1.1081   11.347   1.2063   14.865   2.8036  658.131   35.652  730.499   74.649 -72.36804 82.72626 
1 1 1   24   27   21 o  338.123   42.289   2.4759   0.5324   2.1849   0.5725   4.3350   1.4471  288.087   38.653  388.160   75.229 -100.0733 84.57850 
1 1 1   24   27   23 o  261.069   42.067   1.3862   0.4161   1.1542   0.4466   2.9117   1.1452  204.889   43.731  317.249   71.876 -112.3607 84.13451 
1 1 1   24   27   25 f  294.205   47.212   2.9498   0.5893   3.2682   0.6490   1.4550   1.4062  352.415   35.822  235.995   87.365 116.4196 94.42365 
1 1 1   24   27   27 o  683.627   43.139   10.926   1.2952   9.3360   1.4513   17.143   2.8699  589.383   47.896  777.871   71.761 -188.4872 86.27724 
1 1 1   24   27   29 o  317.178   47.286   2.5184   0.5415   2.3774   0.5803   3.4671   1.5052  299.536   37.683  334.820   86.739 -35.28467 94.57136 
1 1 1   24   27   31 o  221.000   41.828   0.8829   0.3677   0.6476   0.3941   2.4688   1.0230  153.632   46.166  288.369   69.763 -134.7370 83.65511 
1 1 1   24   27   33 o  291.034   45.111   2.2972   0.6750   2.2972   0.6750   0.0000   0.0000  291.034   45.111  ?   ?       ?      ? 
1 1 1   24   27   35 o  290.729   46.918   3.0117   0.5945   3.3416   0.6565   1.5078   1.4015  353.562   36.114  227.896   86.609 125.6662 93.83652 
1 1 1   24   27   37 o  270.333   49.823   2.4954   0.6700   2.7493   0.7505   1.4981   1.4875  315.486   46.268  225.180   88.252 90.30534 99.64503 
1 1 1   24   27   39 o  342.739   48.592   3.1229   0.6325   2.8695   0.6869   4.5354   1.6217  323.208   41.340  362.270   87.952 -39.06122 97.18346 
1 1 1   24   28    0 o  431.180   62.707   5.1614   1.3044   0.0000   0.0000   5.1614   1.3044  431.180   62.707  431.180   62.707 0.000000 0.000000 
1 1 1   24   28    2 o  469.141   40.837   5.8594   0.9849   5.8108   1.3835   5.9094   1.4024  467.210   57.597  471.072   57.907 -3.861847 81.67357 
1 1 1   24   28    4 o  422.585   44.221   4.9078   0.9022   3.4068   1.2541   6.5175   1.2987  348.588   72.348  496.583   50.870 -147.9949 88.44154 
1 1 1   24   28    6 o  251.407   42.598   1.7536   0.5430   1.7349   0.7498   1.7743   0.7874  250.163   59.216  252.650   61.251 -2.487000 85.19532 
1 1 1   24   28    8 o  645.272   36.951   10.918   1.1982   10.480   1.5274   11.620   1.9320  630.450   47.123  660.093   56.930 -29.64294 73.90234 
1 1 1   24   28   10 o  180.992   52.069   0.8907   0.5105   0.8907   0.5105   0.0000   0.0000  180.992   52.069  ?   ?       ?      ? 
1 1 1   24   28   12 o  634.190   41.685   10.568   1.3592   10.568   1.3592   0.0000   0.0000  634.190   41.685  ?   ?       ?      ? 
1 1 1   24   28   14 o  631.287   44.425   9.5733   1.2741   8.3535   1.4550   13.586   2.6390  560.483   50.492  702.091   73.109 -141.6075 88.85044 
1 1 1   24   28   16 o  495.311   52.522   6.8720   1.0680   6.8709   1.2134   6.8757   2.2498  509.172   46.353  481.450   94.264 27.72189 105.0444 
1 1 1   24   28   18 o  1007.33   52.141   27.939   2.6590   26.434   3.4372   30.183   4.1960  979.513   68.254  1035.15   78.843 -55.63300 104.2827 
1 1 1   24   28   20 o  345.293   52.266   4.0850   0.8164   4.7672   0.9393   1.9759   1.6515  424.213   43.065  266.374   95.249 157.8392 104.5323 
1 1 1   24   28   22 o  258.220   41.204   1.3110   0.4117   1.0428   0.4435   2.9798   1.1063  194.256   45.250  322.184   68.874 -127.9283 82.40839 
1 1 1   24   28   24 o  295.793   43.921   1.6369   0.4606   1.3464   0.4879   4.0084   1.3941  221.211   44.446  370.375   75.768 -149.1642 87.84258 
1 1 1   24   28   26 o  193.425   46.451   1.0351   0.5320   1.1974   0.6075   0.5009   1.1020  205.934   55.934  180.916   74.177 25.01880 92.90207 
1 1 1   24   28   28 o  221.737   46.218   1.5587   0.5414   1.7828   0.5963   0.5061   1.2922  253.605   47.480  189.869   79.309 63.73625 92.43572 
1 1 1   24   28   30 o  360.845   48.634   3.5791   0.6457   3.4857   0.7016   4.0967   1.6522  362.081   37.686  359.610   89.671 2.471344 97.26813 
1 1 1   24   28   32 o  549.994   44.710   8.1961   1.2642   8.1961   1.2642   0.0000   0.0000  549.994   44.710  ?   ?       ?      ? 
1 1 1   24   28   34 o  426.935   47.464   4.8764   0.7558   4.6269   0.8249   6.1822   1.8871  414.912   38.669  438.957   86.694 -24.04486 94.92716 
1 1 1   24   28   36 o  254.516   47.219   1.8488   0.5119   1.8054   0.5576   2.0810   1.2905  257.235   42.162  251.797   84.504 5.438492 94.43796 
1 1 1   24   28   38 o  255.234   48.994   1.6177   0.5569   1.2622   0.6199   3.1028   1.2672  205.175   56.821  305.292   79.831 -100.1178 97.98758 
1 1 1   24   28   40 o  365.064   39.877   2.8175   0.5966   2.1932   0.6483   6.2664   1.5239  279.261   45.157  450.866   65.739 -171.6051 79.75481 
1 1 1   24   29    1 o  678.224   40.786   12.282   1.4221   12.365   2.0045   12.198   2.0177  680.713   57.277  675.735   58.079 4.977417 81.57125 
1 1 1   24   29    3 o  205.520   40.644   1.1596   0.4462   1.1009   0.6209   1.2224   0.6418  200.492   57.342  210.548   57.616 -10.05649 81.28822 
1 1 1   24   29    5 o  489.831   36.829   6.3164   0.9023   6.1490   1.1441   6.5918   1.4675  482.989   46.074  496.674   57.469 -13.68439 73.65775 
1 1 1   24   29    7 o  364.815   36.099   3.5464   0.6280   3.5744   0.7607   3.4867   1.1127  369.257   40.072  360.372   60.056 8.884491 72.19769 
1 1 1   24   29    9 f  219.316   35.690   1.3062   0.3906   1.1917   0.5122   1.4653   0.6037  208.174   48.721  230.458   52.167 -22.28337 71.38029 
1 1 1   24   29   11 o  481.753   33.495   6.2711   0.8097   6.9662   1.0775   5.3694   1.2272  514.894   40.703  448.611   53.207 66.28369 66.99058 
1 1 1   24   29   13 o  233.066   37.218   1.4936   0.4630   0.7771   0.6489   2.2362   0.6607  175.167   59.918  290.965   44.165 -115.7979 74.43545 
1 1 1   24   29   15 o  264.421   50.351   1.9444   0.6207   1.9270   0.7037   2.0050   1.3171  263.850   53.703  264.992   85.187 -1.142120 100.7016 
1 1 1   24   29   17 o  355.988   57.870   3.6082   1.0287   2.9630   1.3339   4.5551   1.6159  317.409   81.360  394.567   82.320 -77.15793 115.7406 
1 1 1   24   29   19 o  325.120   47.513   2.5483   0.6722   2.1175   0.7609   4.0790   1.4345  275.563   55.626  374.676   77.043 -99.11227 95.02603 
1 1 1   24   29   21 o  422.245   56.557   5.0517   1.1591   4.4097   1.4699   6.1075   1.8849  389.474   76.135  455.016   83.656 -65.54187 113.1144 
1 1 1   24   29   23 o  178.050   41.726   0.8969   0.4539   1.1345   0.5105   0.0000   0.9919  201.611   49.591  154.489   67.120 47.12241 83.45251 
1 1 1   24   29   25 o  298.823   43.804   2.2016   0.5128   2.0354   0.5597   3.0699   1.2795  277.091   39.287  320.555   78.305 -43.46396 87.60851 
1 1 1   24   29   27 o  417.416   54.771   5.3884   0.9060   5.5799   1.0175   4.6558   1.9904  456.553   43.349  378.279  100.599 78.27432 109.5415 
1 1 1   24   29   29 o  398.999   57.299   5.7942   0.9381   6.4850   1.0530   3.1376   2.0650  492.010   41.628  305.989  106.771 186.0210 114.5986 
1 1 1   24   29   31 o  255.574   50.093   1.8439   0.6347   1.8439   0.6347   0.0000   0.0000  255.574   50.093  ?   ?       ?      ? 
1 1 1   24   29   33 o  222.214   43.038   1.6418   0.4572   1.8087   0.4903   0.5280   1.2667  259.983   36.680  184.445   77.870 75.53856 86.07615 
1 1 1   24   29   35 o  208.961   40.000   0.6395   0.3536   0.3351   0.3792   2.6651   0.9783  121.714   45.308  296.207   65.934 -174.4934 80.00046 
1 1 1   24   29   37 o  197.202   77.028   1.0771   1.1303   0.0000   0.0000   1.0771   1.1303  ?   ?   197.202   77.028      ?      ? 
1 1 1   24   29   39 o  205.462   46.896   1.2699   0.4396   1.2915   0.4629   1.0712   1.4034  211.831   43.940  199.094   82.863 12.73653 93.79276 
1 1 1   24   30    0 o  1049.31   57.347   29.136   3.0727   29.136   3.0727   0.0000   0.0000  1049.31   57.347  1049.31   57.347 -0.000000 0.000000 
1 1 1   24   30    2 o  478.207   36.511   5.9581   0.8868   6.8598   1.3928   5.3433   1.1500  507.501   53.380  448.914   49.827 58.58783 73.02135 
1 1 1   24   30    4 o  222.412   48.144   1.4088   0.5823   1.5766   0.6774   0.9340   1.1395  238.329   56.199  206.495   78.186 31.83400 96.28736 
1 1 1   24   30    6 o  847.558   32.733   18.971   1.4255   18.128   1.9877   19.863   2.0456  827.990   46.693  867.125   45.885 -39.13477 65.46512 
1 1 1   24   30    8 o  143.088   33.065   0.5287   0.2900   0.6897   0.3719   0.2786   0.4634  159.250   43.974  126.926   49.391 32.32431 66.13032 
1 1 1   24   30   10 o  190.323   35.673   0.9994   0.3522   1.0156   0.4632   0.9773   0.5423  192.064   47.234  188.582   53.471 3.482056 71.34569 
1 1 1   24   30   12 o  291.017   43.998   2.3844   0.6355   2.4483   0.8547   2.3055   0.9503  296.801   58.092  285.233   66.096 11.56732 87.99655 
1 1 1   24   30   14 o  241.176   35.842   1.6132   0.4318   1.7573   0.5659   1.4124   0.6679  257.842   42.691  224.510   57.586 33.33211 71.68456 
1 1 1   24   30   16 o  188.794   49.283   0.7913   0.5945   0.6829   0.7152   1.0335   1.0693  171.014   62.469  206.574   76.241 -35.56093 98.56535 
1 1 1   24   30   18 o  584.639   41.945   7.8231   1.1219   6.2612   1.2789   13.037   2.3367  482.596   51.546  686.682   66.187 -204.0863 83.89081 
1 1 1   24   30   20 o  234.727   48.443   1.7472   0.6119   2.0365   0.6805   0.5255   1.3983  271.375   50.636  198.079   82.600 73.29697 96.88528 
1 1 1   24   30   22 o  232.941   45.830   1.0642   0.4642   0.7595   0.5075   2.6225   1.1478  167.621   52.773  298.262   74.943 -130.6416 91.65930 
1 1 1   24   30   24 o  464.946   44.455   4.8580   0.8927   4.0239   0.9908   8.4542   2.0573  385.872   49.944  544.019   73.557 -158.1467 88.91011 
1 1 1   24   30   26 o  205.115   41.152   1.3661   0.4996   1.7651   0.5679   0.0000   1.0507  252.957   45.334  157.272   68.692 95.68491 82.30303 
1 1 1   24   30   28 f  323.644   57.460   3.3812   0.9383   3.7267   1.1441   2.6715   1.6398  358.968   64.354  288.320   95.212 70.64771 114.9207 
1 1 1   24   30   30 f  483.806   36.448   6.2353   0.9066   6.2353   0.9066   0.0000   0.0000  483.806   36.448  ?   ?       ?      ? 
1 1 1   24   30   32 o  201.490   45.844   0.6898   0.3470   0.5499   0.3632   2.1607   1.1775  141.963   44.632  261.017   80.091 -119.0541 91.68750 
1 1 1   24   30   34 o  236.223   47.125   1.7774   0.4876   1.8600   0.5162   1.0920   1.4871  262.465   38.251  209.981   86.139 52.48337 94.25003 
1 1 1   24   30   36 o  218.143   48.255   0.9057   0.4723   0.5909   0.5108   2.7577   1.2390  149.363   53.021  286.924   80.642 -137.5615 96.51059 
1 1 1   24   30   38 o  272.628   49.592   2.1342   0.5294   2.0385   0.5669   2.7876   1.4813  271.673   40.584  273.583   90.500 -1.910065 99.18370 
1 1 1   24   31    1 o  546.144   43.711   6.7900   1.0867   5.5115   1.2357   11.153   2.2827  454.418   52.891  637.870   69.606 -183.4518 87.42103 
1 1 1   24   31    3 o  135.403   32.862   0.4414   0.2790   0.5497   0.3964   0.3352   0.3927  145.476   46.730  125.330   46.215 20.14600 65.72324 
1 1 1   24   31    5 o  202.662   38.476   1.1253   0.4079   1.2693   0.6138   1.0114   0.5458  213.698   55.403  191.626   53.407 22.07210 76.95298 
1 1 1   24   31    7 o  695.021   33.567   12.822   1.1994   12.919   1.6913   12.723   1.7011  697.823   47.141  692.218   47.798 5.605286 67.13356 
1 1 1   24   31    9 o  731.019   34.769   14.242   1.3045   14.031   1.8925   14.433   1.8005  725.027   50.770  737.011   47.518 -11.98413 69.53872 
1 1 1   24   31   11 o  689.696   48.355   13.686   1.5012   11.743   2.7879   14.479   1.7816  641.364   84.547  738.028   46.953 -96.66400 96.71004 
1 1 1   24   31   13 o  618.293   36.729   10.212   1.1101   10.116   1.3716   10.394   1.8901  618.104   43.161  618.482   59.441 -0.3776855 73.45845 
1 1 1   24   31   15 o  337.643   42.671   3.0207   0.7407   3.0207   0.7407   0.0000   0.0000  337.643   42.671  ?   ?       ?      ? 
1 1 1   24   31   17 f  136.738   34.628   0.4381   0.3088   0.3715   0.4692   0.4891   0.4101  133.707   50.272  139.770   47.635 -6.062683 69.25638 
1 1 1   24   31   19 o  384.951   35.849   4.0190   0.7032   4.5031   0.9804   3.5059   1.0093  410.406   46.464  359.496   54.606 50.90927 71.69867 
1 1 1   24   31   21 o  167.076   43.881   0.4805   0.3836   0.3760   0.4159   1.0746   0.9917  129.837   47.609  204.315   73.726 -74.47760 87.76208 
1 1 1   24   31   23 o  401.981   45.186   3.4553   0.7762   2.6394   0.8602   7.0283   1.8003  306.258   56.722  497.705   70.355 -191.4471 90.37245 
1 1 1   24   31   25 o  316.597   51.809   3.0230   0.7265   3.1062   0.8219   2.7261   1.5531  339.156   47.137  294.038   92.275 45.11832 103.6179 
1 1 1   24   31   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   31   29 o  503.880   47.589   6.9350   1.2328   6.9350   1.2328   0.0000   0.0000  503.880   47.589  ?   ?       ?      ? 
1 1 1   24   31   31 o  185.668   45.785   0.6480   0.4148   0.4666   0.4499   1.6754   1.0707  137.904   49.672  233.431   76.928 -95.52724 91.57095 
1 1 1   24   31   33 o  267.070   49.279   1.7975   0.4828   1.6788   0.5108   2.7922   1.4787  248.792   39.931  285.349   90.106 -36.55687 98.55769 
1 1 1   24   31   35 o  366.402   50.230   3.6271   0.6661   3.3921   0.7179   5.0826   1.7868  352.587   39.601  380.217   92.326 -27.63019 100.4608 
1 1 1   24   31   37 o  336.655   57.773   2.7535   0.7675   2.1592   0.8297   6.2785   2.0207  263.553   62.226  409.757   97.360 -146.2037 115.5467 
1 1 1   24   32    0 o  126.041   75.572   0.4664   0.8773   0.4664   0.8773   0.0000   0.0000  126.041   75.572  126.041   75.572 0.000000 0.000000 
1 1 1   24   32    2 o  1078.22   43.809   29.502   2.1755   36.512   4.3000   27.090   2.5222  1147.42   72.891  1009.03   48.619 138.3862 87.61807 
1 1 1   24   32    4 o  163.542   35.266   0.7166   0.3239   0.6526   0.4500   0.7854   0.4666  157.114   49.716  169.969   50.031 -12.85518 70.53224 
1 1 1   24   32    6 o  349.755   31.957   3.1424   0.5609   2.3328   0.7315   4.2979   0.8740  296.061   48.058  403.448   42.134 -107.3870 63.91313 
1 1 1   24   32    8 o  326.951   51.852   3.3622   0.7960   2.2127   1.5261   3.7917   0.9329  276.631   91.876  377.271   48.098 -100.6401 103.7042 
1 1 1   24   32   10 o  550.577   46.521   8.3990   1.0788   8.1983   2.2851   8.4566   1.2237  535.651   82.977  565.503   42.089 -29.85199 93.04143 
1 1 1   24   32   12 o  514.646   39.865   7.4367   1.0086   5.3935   1.4908   9.1615   1.3697  442.375   65.547  586.917   45.392 -144.5419 79.72923 
1 1 1   24   32   14 o  478.968   88.064   6.8250   2.0887   6.8250   2.0887   0.0000   0.0000  478.968   88.064  ?   ?       ?      ? 
1 1 1   24   32   16 o  585.811   39.890   9.3219   1.1858   9.2709   1.5572   9.3924   1.8294  586.498   51.642  585.124   60.811 1.374451 79.78019 
1 1 1   24   32   18 o  332.197   42.921   3.1011   0.6975   3.1850   0.8982   2.9737   1.1071  343.652   50.837  320.741   69.169 22.91083 85.84167 
1 1 1   24   32   20 o  399.811   39.913   4.3429   0.8013   4.2362   1.0247   4.5108   1.2857  395.998   50.331  403.624   61.959 -7.625458 79.82561 
1 1 1   24   32   22 o  313.486   38.157   2.7227   0.5867   1.9123   0.8017   3.6573   0.8610  257.845   61.365  369.127   45.367 -111.2819 76.31389 
1 1 1   24   32   24 f  539.759   57.900   8.6362   1.4893   8.4834   1.8495   8.9182   2.5119  547.686   65.682  531.832   95.371 15.85376 115.8002 
1 1 1   24   32   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   32   28 o  368.267   53.915   3.8995   0.8257   3.7459   0.9242   4.5070   1.8379  369.671   48.629  366.862   96.243 2.809143 107.8309 
1 1 1   24   32   30 o  677.938   61.684   15.632   1.5780   16.745   1.8020   11.972   3.2681  783.031   44.761  572.845  114.961 210.1861 123.3674 
1 1 1   24   32   32 o  395.845   49.660   4.0342   0.8353   3.4427   0.9360   6.3492   1.8517  349.837   52.039  441.852   84.596 -92.01425 99.32024 
1 1 1   24   32   34 o  266.102   50.438   1.9424   0.5780   1.7403   0.6369   2.8871   1.3769  243.640   52.400  288.564   86.198 -44.92450 100.8758 
1 1 1   24   32   36 o  240.729   55.115   2.0755   0.8273   2.4827   0.9957   1.1684   1.4863  276.931   69.924  204.528   85.213 72.40274 110.2297 
1 1 1   24   33    1 f  228.138   47.583   1.4287   0.5321   1.4153   1.1373   1.4324   0.6021  229.418   79.281  226.858   52.641 2.559845 95.16614 
1 1 1   24   33    3 o  252.465   49.092   1.7661   0.5815   1.8318   1.2435   1.7477   0.6578  253.964   82.866  250.967   52.661 2.996628 98.18349 
1 1 1   24   33    5 o  223.616   42.584   1.5433   0.5853   0.0000   1.1024   2.1491   0.6906  163.195   70.830  284.037   47.294 -120.8420 85.16803 
1 1 1   24   33    7 o  298.059   41.347   2.5532   0.6092   1.8337   0.9116   3.1341   0.8190  253.012   68.430  343.106   46.429 -90.09473 82.69373 
1 1 1   24   33    9 o  289.352   35.272   2.2194   0.5075   1.8171   0.6646   2.7819   0.7859  255.822   52.298  322.882   47.344 -67.06075 70.54411 
1 1 1   24   33   11 o  209.581   34.176   1.1985   0.3836   1.7726   0.5511   0.6587   0.5343  258.750   41.424  160.411   54.370 98.33858 68.35208 
1 1 1   24   33   13 o  450.977   51.400   4.8695   1.0710   3.5511   1.2469   8.5783   2.0913  350.730   71.571  551.224   73.792 -200.4932 102.7993 
1 1 1   24   33   15 o  341.587   45.775   2.7717   0.7234   4.7100   1.4366   2.1134   0.8372  410.623   68.051  272.552   61.243 138.0703 91.55075 
1 1 1   24   33   17 o  336.896   48.460   3.4894   0.7753   2.4883   1.3214   4.0150   0.9575  287.261   84.096  386.530   48.182 -99.26895 96.92094 
1 1 1   24   33   19 o  399.817   63.135   4.4475   1.2978   0.0000   0.0000   4.4475   1.2978  ?   ?   399.817   63.135      ?      ? 
1 1 1   24   33   21 o  428.158   38.725   4.8868   0.8363   4.3502   1.0647   5.7512   1.3514  399.712   51.811  456.604   57.568 -56.89197 77.44958 
1 1 1   24   33   23 o  445.887   47.120   5.6362   1.0786   6.0340   1.5712   5.2817   1.4834  460.939   66.302  430.835   66.971 30.10388 94.23919 
1 1 1   24   33   25 o  275.496   52.056   2.1434   0.7103   2.1434   0.7103   0.0000   0.0000  275.496   52.056  ?   ?       ?      ? 
1 1 1   24   33   27 o  195.616   44.972   1.1376   0.4883   1.2713   0.5437   0.5808   1.1097  210.867   50.764  180.364   74.248 30.50310 89.94343 
1 1 1   24   33   29 o  441.357   59.128   6.6453   1.0400   7.0327   1.1742   5.2362   2.2396  507.037   45.045  375.676  109.342 131.3602 118.2570 
1 1 1   24   33   31 o  282.436   48.466   2.0156   0.6026   1.6124   0.6779   3.5341   1.3155  233.268   57.008  331.605   78.396 -98.33675 96.93237 
1 1 1   24   33   33 o  244.148   53.693   1.5004   0.6114   1.1771   0.6747   2.9831   1.4450  197.527   60.631  290.769   88.633 -93.24281 107.3864 
1 1 1   24   33   35 o  177.190   47.606   0.5121   0.4310   0.3260   0.4613   1.7913   1.2093  125.401   49.146  228.979   81.547 -103.5785 95.21134 
1 1 1   24   34    0 o  107.678   45.631   0.2993   0.3466   0.2636   0.3780   0.4879   0.8681   88.993   51.310  126.364   75.471 -0.000000 0.000000 
1 1 1   24   34    2 o  157.406   41.253   0.5819   0.4115   0.0000   0.9449   0.7181   0.4572  151.745   65.719  163.066   49.883 -11.32137 82.50642 
1 1 1   24   34    4 o  226.952   37.166   1.4481   0.4287   1.7487   0.6016   1.1378   0.6112  252.075   48.175  201.829   56.607 50.24591 74.33170 
1 1 1   24   34    6 o  182.315   35.303   0.9062   0.3385   0.8028   0.4475   1.0445   0.5177  170.907   48.614  193.723   51.205 -22.81651 70.60645 
1 1 1   24   34    8 o  585.038   32.242   9.0968   0.9630   8.9077   1.2830   9.3408   1.4575  579.209   43.084  590.867   47.978 -11.65820 64.48395 
1 1 1   24   34   10 f  381.032   31.159   3.8714   0.6079   3.4689   0.8574   4.2783   0.8620  360.409   46.270  401.654   41.743 -41.24557 62.31708 
1 1 1   24   34   12 o  140.287   34.621   0.4812   0.3082   0.4131   0.4492   0.5418   0.4236  135.419   49.504  145.155   48.413 -9.735840 69.24220 
1 1 1   24   34   14 o  193.257   39.617   1.0463   0.4170   0.9754   0.6115   1.1079   0.5700  187.848   57.728  198.666   54.272 -10.81853 79.23373 
1 1 1   24   34   16 o  158.665   34.608   0.6865   0.3135   0.7909   0.4196   0.5547   0.4715  169.016   46.727  148.315   51.062 20.70184 69.21509 
1 1 1   24   34   18 o  212.360   46.355   1.3137   0.5562   0.9693   0.9612   1.4871   0.6819  196.514   72.325  228.206   58.001 -31.69151 92.70918 
1 1 1   24   34   20 o  181.769   41.078   0.9391   0.4485   0.4799   0.7728   1.1722   0.5507  160.030   63.328  203.508   52.336 -43.47787 82.15568 
1 1 1   24   34   22 o  266.897   50.089   2.1198   0.6904   2.1676   1.0855   2.0873   0.8947  267.468   75.589  266.325   65.741 1.142853 100.1773 
1 1 1   24   34   24 o  270.192   73.961   2.2260   1.0574   2.2260   1.0574   0.0000   0.0000  270.192   73.961  ?   ?       ?      ? 
1 1 1   24   34   26 o  237.467   41.651   1.5925   0.6063   0.3424   0.8624   2.8138   0.8524  156.469   65.027  318.466   52.063 -161.9972 83.30115 
1 1 1   24   34   28 o  296.077   47.998   2.4207   0.7306   2.4207   0.7306   0.0000   0.0000  296.077   47.998  ?   ?       ?      ? 
1 1 1   24   34   30 o  175.905   42.685   0.4361   0.3968   0.1475   0.4367   1.8027   0.9504  112.305   46.440  239.505   71.633 -127.2000 85.36934 
1 1 1   24   34   32 o  332.490   53.499   4.1115   0.8340   4.6105   0.9499   2.4344   1.7416  406.970   45.401  258.009   96.888 148.9607 106.9976 
1 1 1   24   34   34 o  251.506   49.184   1.6300   0.5603   1.2666   0.6264   3.0838   1.2529  203.494   57.393  299.517   79.889 -96.02315 98.36712 
1 1 1   24   35    1 o  248.604   39.265   1.7313   0.4897   1.5426   0.6788   1.9360   0.7071  233.847   56.981  263.361   54.038 -29.51382 78.52982 
1 1 1   24   35    3 o  133.566   31.724   0.4493   0.2572   0.4895   0.3721   0.4124   0.3560  137.831   45.345  129.301   44.377 8.529846 63.44701 
1 1 1   24   35    5 o  540.889   33.821   7.8518   0.9375   8.4983   1.3204   7.1945   1.3313  564.424   45.501  517.354   50.052 47.06952 67.64290 
1 1 1   24   35    7 o  473.888   32.526   5.8476   0.7775   4.4909   1.0214   7.7167   1.1988  409.141   48.556  538.634   43.290 -129.4933 65.05179 
1 1 1   24   35    9 o  359.834   34.557   3.5369   0.6265   3.9164   0.8405   3.0622   0.9399  383.797   42.594  335.871   54.429 47.92694 69.11435 
1 1 1   24   35   11 o  454.173   32.097   5.5610   0.7402   4.6349   1.0536   6.4636   1.0402  414.902   49.395  493.444   41.001 -78.54288 64.19405 
1 1 1   24   35   13 o  604.703   41.786   10.074   1.2838   10.160   1.6986   9.9608   1.9605  610.921   54.080  598.485   63.716 12.43542 83.57237 
1 1 1   24   35   15 o  204.166   41.939   1.1725   0.4918   1.6286   0.6815   0.6771   0.7103  239.447   56.305  168.885   62.172 70.56255 83.87829 
1 1 1   24   35   17 o  253.076   49.603   1.7832   0.6099   2.1155   1.1943   1.6660   0.7094  264.839   80.543  241.312   57.920 23.52742 99.20647 
1 1 1   24   35   19 o  236.396   49.850   1.6750   0.6616   1.2953   1.0359   1.9367   0.8599  215.600   75.599  257.191   64.999 -41.59164 99.69971 
1 1 1   24   35   21 o  381.252   39.732   3.8748   0.7627   3.2157   0.9681   4.9529   1.2381  340.696   55.271  421.808   57.092 -81.11194 79.46347 
1 1 1   24   35   23 o  155.233   40.497   0.4074   0.3997   1.0422   0.7630   0.1672   0.4693  192.697   64.973  117.769   48.360 74.92809 80.99493 
1 1 1   24   35   25 o  461.024   51.032   5.8911   1.2096   0.0000   0.0000   5.8911   1.2096  ?   ?   461.024   51.032      ?      ? 
1 1 1   24   35   27 o  357.649   78.330   4.0465   1.4004   4.0465   1.4004   0.0000   0.0000  357.649   78.330  ?   ?       ?      ? 
1 1 1   24   35   29 o  283.729   54.368   2.3468   0.7642   2.3468   0.7642   0.0000   0.0000  283.729   54.368  ?   ?       ?      ? 
1 1 1   24   35   31 o  216.275   56.359   1.4063   0.6330   1.4063   0.6330   0.0000   0.0000  216.275   56.359  ?   ?       ?      ? 
1 1 1   24   35   33 o  169.124   46.201   0.5805   0.4115   0.4828   0.4402   1.2578   1.1595  136.265   49.125  201.984   78.261 -65.71927 92.40144 
1 1 1   24   36    0 o  118.803   48.876   0.2446   0.3694   0.1017   0.4020   1.0203   0.9364   78.080   48.806  159.527   84.696 -0.000000 0.000000 
1 1 1   24   36    2 o  757.315   33.864   15.410   1.3143   16.792   1.8606   14.035   1.8569  792.686   45.654  721.945   50.028 70.74158 67.72776 
1 1 1   24   36    4 o  451.758   34.707   5.5007   0.8019   6.1542   1.1383   4.8569   1.1298  479.607   46.164  423.909   51.838 55.69800 69.41396 
1 1 1   24   36    6 o  379.241   34.908   3.8722   0.6806   3.8168   0.9625   3.9277   0.9625  376.397   49.738  382.086   48.995 -5.688324 69.81638 
1 1 1   24   36    8 o  211.884   34.718   1.2666   0.3917   1.7518   0.5407   0.7305   0.5683  256.814   40.949  166.954   56.076 89.86049 69.43555 
1 1 1   24   36   10 o  585.330   33.262   9.1536   0.9969   8.6656   1.3392   9.7600   1.4930  568.580   45.814  602.081   48.233 -33.50165 66.52307 
1 1 1   24   36   12 o  414.546   47.571   5.0569   0.9481   5.9433   1.2639   3.9165   1.4336  467.399   52.597  361.693   79.282 105.7069 95.14210 
1 1 1   24   36   14 o  167.218   38.455   0.7309   0.3701   0.8708   0.6033   0.6465   0.4687  178.544   57.679  155.892   50.873 22.65164 76.90917 
1 1 1   24   36   16 o  355.449   46.034   3.6469   0.8102   3.6863   1.1432   3.6072   1.1485  357.748   64.527  353.151   65.671 4.596527 92.06751 
1 1 1   24   36   18 o  172.624   39.081   0.8027   0.3999   1.0468   0.5762   0.5757   0.5555  191.981   55.341  153.268   55.196 38.71259 78.16106 
1 1 1   24   36   20 o  162.298   38.467   0.6590   0.3787   0.9640   0.5961   0.4526   0.4903  184.691   57.039  139.905   51.629 44.78601 76.93440 
1 1 1   24   36   22 o  195.190   39.247   1.0777   0.4212   1.4157   0.6155   0.7799   0.5777  221.421   54.449  168.958   56.540 52.46292 78.49480 
1 1 1   24   36   24 o  241.809   58.310   1.4168   0.8414   0.7205   1.0006   3.0978   1.5547  180.597   71.872  303.021   91.841 -122.4231 116.6207 
1 1 1   24   36   26 o  458.718   48.207   6.3222   1.0489   6.1472   1.7497   6.4203   1.3104  440.214   80.268  477.221   53.408 -37.00662 96.41306 
1 1 1   24   36   28 o  285.416   48.045   2.5860   0.6810   2.2899   1.1317   2.7541   0.8526  264.452   77.944  306.380   56.195 -41.92722 96.08952 
1 1 1   24   36   30 o  425.054   46.785   5.5722   0.9505   5.2474   1.5429   5.7709   1.2066  401.237   77.601  448.871   52.284 -47.63397 93.57100 
1 1 1   24   37    1 o  309.958   37.328   2.6619   0.5759   2.2985   0.8236   3.0097   0.8057  285.059   58.166  334.858   46.800 -49.79956 74.65620 
1 1 1   24   37    3 o  282.288   38.235   2.2402   0.5375   1.6270   0.7603   2.8525   0.7598  238.174   61.624  326.401   45.279 -88.22708 76.46991 
1 1 1   24   37    5 o  160.370   34.976   0.6665   0.3345   1.0021   0.4803   0.3503   0.4663  189.326   48.971  131.414   49.952 57.91141 69.95259 
1 1 1   24   37    7 o  567.673   32.800   8.6464   0.9480   8.5827   1.2554   8.7310   1.4460  566.925   43.072  568.420   49.480 -1.495544 65.60075 
1 1 1   24   37    9 f  534.514   39.855   7.7713   1.0867   7.2803   1.4338   8.4340   1.6658  516.253   54.021  552.776   58.614 -36.52264 79.71079 
1 1 1   24   37   11 o  427.419   83.412   5.5334   1.7672   5.5334   1.7672   0.0000   0.0000  427.419   83.412  ?   ?       ?      ? 
1 1 1   24   37   13 o  247.276   49.739   1.8993   0.7181   0.8621   1.1660   2.5331   0.9115  197.975   77.965  296.576   61.785 -98.60077 99.47852 
1 1 1   24   37   15 o  342.530   38.413   3.1513   0.6598   2.8819   0.8322   3.6073   1.0828  325.162   49.778  359.897   58.520 -34.73511 76.82678 
1 1 1   24   37   17 f  463.222   34.632   5.7755   0.8165   4.7758   1.0920   7.0436   1.2298  417.297   50.897  509.147   46.980 -91.84973 69.26460 
1 1 1   24   37   19 o  557.102   37.462   8.5934   1.0727   8.6768   1.5375   8.5143   1.4974  559.370   53.462  554.834   52.492 4.535950 74.92427 
1 1 1   24   37   21 o  308.933   41.207   2.8434   0.6343   4.4634   0.9130   1.3319   0.8819  405.330   43.810  212.536   69.805 192.7936 82.41455 
1 1 1   24   37   23 o  210.134   52.451   1.1367   0.6859   0.7405   0.8432   1.9116   1.1793  174.688   66.988  245.580   80.728 -70.89238 104.9019 
1 1 1   24   37   25 o  230.664   41.380   1.5778   0.4912   1.4494   0.6717   1.7254   0.7201  220.633   58.325  240.695   58.713 -20.06133 82.75912 
1 1 1   24   37   27 o  537.278   37.646   8.2061   1.0383   7.7416   1.4233   8.7346   1.5182  521.196   53.114  553.359   53.364 -32.16235 75.29160 
1 1 1   24   37   29 o  290.745   42.051   2.5700   0.6062   2.7091   0.8329   2.4134   0.8839  302.039   55.690  279.451   63.021 22.58823 84.10105 
1 1 1   24   38    0 o  133.044   66.059   0.7003   0.5462   0.7003   0.5462   0.0000   0.0000  133.044   66.059  133.044   66.059 -0.000000 0.000000 
1 1 1   24   38    2 o  142.456   36.169   0.4740   0.3407   0.3444   0.4783   0.6076   0.4855  131.706   50.464  153.206   51.827 -21.50020 72.33723 
1 1 1   24   38    4 o  229.878   44.821   1.5217   0.5466   1.6367   0.7966   1.4194   0.7514  237.694   63.836  222.062   62.934 15.63231 89.64242 
1 1 1   24   38    6 o  198.979   38.432   0.9807   0.4542   1.9254   0.6943   0.2740   0.6006  261.392   53.469  136.566   55.218 124.8254 76.86372 
1 1 1   24   38    8 o  332.055   43.070   3.1557   0.7096   3.4744   0.9603   2.7723   1.0532  356.655   52.371  307.455   68.392 49.20004 86.14059 
1 1 1   24   38   10 o  208.920   47.077   1.1882   0.6661   1.9949   0.8631   0.0000   1.0474  261.253   64.616  156.587   68.483 104.6665 94.15482 
1 1 1   24   38   12 o  174.250   34.347   0.8073   0.3569   1.3645   0.5081   0.2645   0.5015  221.012   46.201  127.487   50.835 93.52511 68.69343 
1 1 1   24   38   14 o  392.699   37.043   4.4070   0.6824   2.7744   0.9608   6.0692   0.9695  308.992   62.626  476.407   39.581 -167.4153 74.08577 
1 1 1   24   38   16 o  213.085   46.414   1.4178   0.5403   1.6108   0.6020   0.6187   1.2253  238.250   50.706  187.921   77.755 50.32901 92.82711 
1 1 1   24   38   18 f  244.308   39.749   1.7317   0.4883   1.7566   0.6697   1.7034   0.7134  247.052   54.218  241.564   58.141 5.487717 79.49806 
1 1 1   24   38   20 o  166.185   37.695   0.6800   0.3785   1.1826   0.5963   0.3407   0.4899  201.574   55.690  130.796   50.817 70.77861 75.39030 
1 1 1   24   38   22 o  336.659   54.821   4.2252   0.9395   5.0459   1.0959   1.9498   1.8247  425.622   50.082  247.695   97.535 177.9271 109.6416 
1 1 1   24   38   24 o  252.871   39.493   1.8637   0.5208   1.1777   0.7176   2.6267   0.7569  198.611   62.779  307.132   47.932 -108.5203 78.98540 
1 1 1   24   38   26 o  393.263   38.293   4.4187   0.7719   3.9887   1.0558   4.9124   1.1314  372.003   55.201  414.523   53.086 -42.51953 76.58514 
1 1 1   24   38   28 o  165.008   37.431   0.7096   0.3972   1.2672   0.5789   0.2134   0.5460  205.366   54.078  124.650   51.767 80.71558 74.86173 
1 1 1   24   39    1 o  161.757   38.947   0.6835   0.3879   0.7399   0.5568   0.6303   0.5408  166.431   55.507  157.083   54.647 9.347397 77.89325 
1 1 1   24   39    3 o  210.164   38.319   1.1527   0.4389   1.9783   0.6895   0.5902   0.5691  265.035   52.456  155.293   55.872 109.7428 76.63804 
1 1 1   24   39    5 o  292.929   37.655   2.3883   0.5520   2.7777   0.7949   2.0256   0.7671  319.920   48.325  265.938   57.761 53.98251 75.31080 
1 1 1   24   39    7 o  420.065   54.451   4.9571   1.0011   4.6527   1.1520   5.8966   2.0236  410.790   54.544  429.339   94.258 -18.54861 108.9021 
1 1 1   24   39    9 o  222.697   51.036   1.4495   0.6195   1.5249   0.7049   1.1936   1.2987  229.395   59.324  215.999   83.063 13.39679 102.0726 
1 1 1   24   39   11 o  316.659   37.195   2.7749   0.5918   2.5426   0.7995   3.0563   0.8801  299.759   53.854  333.559   51.320 -33.79962 74.39077 
1 1 1   24   39   13 o  202.796   37.688   1.1760   0.4029   1.4290   0.5760   0.9335   0.5639  223.962   51.147  181.630   55.367 42.33200 75.37577 
1 1 1   24   39   15 o  192.880   37.020   1.0640   0.3860   1.3647   0.5462   0.7641   0.5455  218.935   49.670  166.824   54.908 52.11075 74.04025 
1 1 1   24   39   17 o  194.546   38.237   1.0910   0.3969   0.9959   0.5522   1.1926   0.5708  186.122   54.328  202.971   53.822 -16.84943 76.47392 
1 1 1   24   39   19 o  154.390   36.604   0.4761   0.3575   1.1373   0.6027   0.1172   0.4440  197.290   56.523  111.490   46.524 85.79995 73.20755 
1 1 1   24   39   21 o  362.377   59.103   4.4044   0.9649   4.5328   1.0992   3.9729   2.0150  400.546   53.375  324.208  105.470 76.33813 118.2069 
1 1 1   24   39   23 o  281.348   48.369   2.3227   0.6692   3.0851   1.1443   1.9265   0.8250  312.078   72.675  250.618   63.847 61.45982 96.73758 
1 1 1   24   39   25 o  178.277   40.611   0.9311   0.4293   1.1223   0.6033   0.7349   0.6110  193.411   56.884  163.143   57.977 30.26793 81.22234 
1 1 1   24   39   27 o  255.566   39.630   1.9616   0.5521   0.8594   0.7573   3.2121   0.8066  173.926   64.168  337.205   46.527 -163.2793 79.26057 
1 1 1   24   40    0 o  327.211   70.690   3.9006   0.9926   4.1093   1.1632   3.3418   1.9035  375.182   66.551  279.241  124.736 -0.000000 0.000000 
1 1 1   24   40    2 o  169.481   37.913   0.7438   0.3895   0.3863   0.5331   1.1533   0.5705  138.052   53.182  200.910   54.050 -62.85794 75.82693 
1 1 1   24   40    4 o  267.500   39.431   2.0133   0.5354   2.5410   0.7811   1.5457   0.7353  304.799   49.847  230.200   61.112 74.59952 78.86273 
1 1 1   24   40    6 o  309.723   52.039   2.3995   0.7223   1.8792   0.8209   4.1833   1.5200  252.790   63.303  366.657   82.613 -113.8675 104.0779 
1 1 1   24   40    8 o  158.675   36.267   0.5958   0.3623   1.0938   0.5474   0.2075   0.4834  195.581   53.080  121.769   49.433 73.81285 72.53364 
1 1 1   24   40   10 o  317.972   44.063   3.1738   0.6923   1.6738   1.0423   4.3579   0.9261  235.305   75.795  400.639   44.959 -165.3348 88.12578 
1 1 1   24   40   12 o  223.321   35.149   1.3910   0.4081   1.9276   0.5970   0.9201   0.5592  266.623   43.548  180.019   55.184 86.60391 70.29756 
1 1 1   24   40   14 o  226.021   38.308   1.5021   0.4507   1.0188   0.6462   1.9601   0.6290  188.367   59.573  263.675   48.176 -75.30865 76.61533 
1 1 1   24   40   16 o  218.050   38.464   1.3815   0.4389   1.7931   0.6310   0.9960   0.6108  250.301   50.771  185.800   57.795 64.50108 76.92834 
1 1 1   24   40   18 o  163.956   41.460   0.6942   0.4255   0.7862   0.7302   0.6469   0.5236  172.518   63.106  155.394   53.792 17.12335 82.92065 
1 1 1   24   40   20 o  186.798   40.219   1.0244   0.4255   1.1896   0.5933   0.8494   0.6107  200.599   55.599  172.998   58.129 27.60188 80.43776 
1 1 1   24   40   22 o  412.845   52.318   5.6467   0.9992   4.3603   1.6631   6.3732   1.2498  351.750   91.202  473.941   51.294 -122.1910 104.6367 
1 1 1   24   40   24 f  302.933   42.863   2.7983   0.6526   2.1660   0.9261   3.4220   0.9197  260.415   68.317  345.451   51.786 -85.03638 85.72591 
1 1 1   24   41    1 o  306.902   39.084   2.6620   0.6027   2.8349   0.8505   2.4876   0.8544  320.475   51.616  293.328   58.702 27.14728 78.16785 
1 1 1   24   41    3 o  172.973   37.997   0.8397   0.3747   0.7580   0.5426   0.9142   0.5181  166.430   54.762  179.516   52.688 -13.08678 75.99301 
1 1 1   24   41    5 o  254.882   51.470   1.9922   0.6550   2.0475   0.7503   1.8148   1.3428  266.290   56.553  243.473   86.014 22.81705 102.9397 
1 1 1   24   41    7 o  308.393   40.384   2.7362   0.6159   2.7579   0.8959   2.7168   0.8482  308.750   58.582  308.035   55.603 0.7147827 80.76829 
1 1 1   24   41    9 o  227.508   38.807   1.5072   0.4494   1.6314   0.6202   1.3699   0.6521  238.546   52.033  216.469   57.589 22.07672 77.61423 
1 1 1   24   41   11 o  452.224   36.463   5.8125   0.8213   7.0711   1.1343   4.4256   1.1907  509.962   43.262  394.485   58.707 115.4778 72.92512 
1 1 1   24   41   13 o  357.655   39.009   3.7948   0.6473   2.0676   0.9073   5.5851   0.9237  260.477   67.277  454.832   39.503 -194.3545 78.01733 
1 1 1   24   41   15 o  208.791   41.530   1.3247   0.4619   1.0776   0.7806   1.4579   0.5730  192.898   65.718  224.685   50.795 -31.78635 83.06049 
1 1 1   24   41   17 o  427.042   40.046   5.2709   0.8688   4.6392   1.2642   5.8362   1.1959  398.444   61.714  455.640   51.049 -57.19571 80.09159 
1 1 1   24   41   19 o  167.363   38.779   0.7595   0.4128   1.1701   0.5794   0.3362   0.5883  198.650   54.902  136.076   54.781 62.57487 77.55733 
1 1 1   24   41   21 o  149.079   39.227   0.5519   0.3963   0.6370   0.6218   0.4937   0.5143  156.572   58.071  141.587   52.753 14.98534 78.45462 
1 1 1   24   41   23 o  206.500   41.373   1.3093   0.4593   1.2804   0.6607   1.3364   0.6390  203.970   59.397  209.029   57.609 -5.059784 82.74565 
1 1 1   24   42    0 o  211.511   64.386   1.7730   0.6929   1.7453   1.3536   1.7828   0.8066  198.538  102.797  224.484   77.557 0.000000 0.000000 
1 1 1   24   42    2 o  257.059   52.321   1.6710   0.6307   1.3196   0.7109   2.9698   1.3669  211.515   61.617  302.603   84.577 -91.08818 104.6418 
1 1 1   24   42    4 o  231.822   45.611   1.8376   0.6344   2.3016   0.7100   0.0000   1.4130  289.296   47.736  174.349   77.736 114.9468 91.22282 
1 1 1   24   42    6 o  252.010   40.466   1.8583   0.5174   2.3327   0.7444   1.4149   0.7197  285.670   52.621  218.350   61.491 67.31996 80.93231 
1 1 1   24   42    8 f  421.293   40.827   5.1590   0.8364   3.9400   1.1933   6.3363   1.1727  363.159   66.359  479.426   47.579 -116.2669 81.65353 
1 1 1   24   42   10 o  269.975   44.487   2.2092   0.6053   1.9692   0.9101   2.3997   0.8106  253.205   68.327  286.745   56.989 -33.53940 88.97365 
1 1 1   24   42   12 o  460.112   44.229   6.3994   0.9704   4.9695   1.4676   7.5104   1.2936  400.220   74.050  520.004   48.387 -119.7831 88.45737 
1 1 1   24   42   14 o  241.285   38.922   1.8975   0.5216   0.6505   0.8325   2.7033   0.6692  167.842   65.948  314.729   41.356 -146.8867 77.84305 
1 1 1   24   42   16 o  435.368   34.862   5.3642   0.7693   4.4462   1.0940   6.2619   1.0818  394.589   53.929  476.147   44.193 -81.55753 69.72334 
1 1 1   24   42   18 o  196.479   39.418   1.1447   0.4170   1.0043   0.5680   1.3090   0.6143  184.084   55.448  208.875   56.041 -24.79054 78.83578 
1 1 1   24   42   20 o  251.725   58.306   2.1505   0.7884   2.1596   0.8744   2.1110   1.8224  261.991   65.183  241.459   96.694 20.53177 116.6128 
1 1 1   24   43    1 o  356.387   67.548   4.4388   1.2853   5.2446   1.8007   3.6019   1.8350  396.444   90.358  316.330  100.431 80.11462 135.0964 
1 1 1   24   43    3 o  340.368   56.835   3.3271   0.8452   4.5710   1.8231   2.9865   0.9540  362.408   96.231  318.328   60.500 44.07938 113.6695 
1 1 1   24   43    5 o  258.029   41.255   1.9966   0.5557   1.3271   0.8076   2.5985   0.7657  210.124   66.618  305.933   48.682 -95.80879 82.51006 
1 1 1   24   43    7 o  203.164   41.483   1.1992   0.4612   1.5122   0.6880   0.9437   0.6216  225.326   58.772  181.003   58.558 44.32269 82.96514 
1 1 1   24   43    9 o  554.678   38.741   8.5944   1.0941   10.370   1.6728   7.2668   1.4464  604.812   53.797  504.543   55.761 100.2684 77.48182 
1 1 1   24   43   11 o  193.989   40.085   1.0055   0.4347   1.6652   0.7031   0.5972   0.5531  235.934   58.302  152.045   55.029 83.88974 80.17093 
1 1 1   24   43   13 o  409.455   39.148   4.7494   0.7953   5.0954   1.3212   4.5527   0.9960  415.633   61.828  403.277   48.038 12.35617 78.29644 
1 1 1   24   43   15 o  249.171   38.265   1.8420   0.4901   1.2933   0.6940   2.3881   0.6923  205.896   61.126  292.445   46.047 -86.54828 76.52911 
1 1 1   24   43   17 o  212.956   40.247   1.3692   0.4492   1.5100   0.6573   1.2459   0.6152  223.080   57.078  202.833   56.757 20.24734 80.49411 
1 1 1   24   44    0 o  510.867   66.603   8.2715   1.4214   7.8986   2.4810   8.4537   1.7343  477.654  116.621  544.080   64.369 0.000000 0.000000 
1 1 1   24   44    2 o  258.470   54.836   1.8068   0.6503   2.9483   1.5240   1.5527   0.7190  290.007   91.466  226.932   60.516 63.07565 109.6730 
1 1 1   24   44    4 o  250.346   50.585   2.0248   0.6475   1.7328   1.2995   2.1212   0.7468  232.263   84.306  268.428   55.929 -36.16505 101.1703 
1 1 1   24   44    6 o  196.700   47.195   1.1222   0.5238   1.1160   1.0643   1.1242   0.6017  198.688   75.483  194.713   56.674 3.975021 94.39043 
1 1 1   24   44    8 o  158.348   40.510   0.6854   0.4291   0.0000   0.9059   0.8837   0.4872  142.278   62.902  174.419   51.065 -32.14171 81.02029 
1 1 1   24   44   10 o  141.820   41.192   0.3156   0.3806   0.5282   0.9280   0.2726   0.4173  164.736   67.867  118.904   46.702 45.83180 82.38329 
1 1 1   24   44   12 o  361.643   39.151   3.8008   0.6963   2.9377   0.9521   4.7933   1.0209  310.847   61.752  412.438   48.146 -101.5909 78.30272 
1 1 1   24   44   14 o  266.137   38.349   2.1016   0.5068   2.2906   0.7316   1.9272   0.7027  278.702   52.995  253.572   55.444 25.13025 76.69732 
1 1 1   24   44   16 o  583.327   36.779   9.8988   1.0915   10.447   1.4766   9.2378   1.6207  606.844   47.327  559.810   56.311 47.03339 73.55788 
1 1 1   24   45    1 o  202.515   41.399   1.2233   0.4647   0.9146   0.6439   1.5588   0.6713  177.432   59.692  227.598   57.380 -50.16646 82.79839 
1 1 1   24   45    3 o  293.616   41.345   2.5836   0.6019   2.3523   0.8524   2.8137   0.8501  278.181   61.257  309.051   55.544 -30.87003 82.68939 
1 1 1   24   45    5 o  158.401   37.195   0.7085   0.3536   0.6989   0.5119   0.7174   0.4891  157.842   53.221  158.959   51.974 -1.116699 74.38922 
1 1 1   24   45    7 o  147.742   37.820   0.5709   0.3668   0.5502   0.5688   0.5857   0.4800  148.212   55.424  147.271   51.473 0.9409637 75.63939 
1 1 1   24   45    9 o  237.006   43.073   1.7257   0.5252   1.8014   0.7898   1.6657   0.7033  240.394   63.105  233.619   58.641 6.774582 86.14518 
1 1 1   24   45   11 f  241.556   38.073   1.7618   0.4893   2.5748   0.6948   0.9619   0.6892  303.260   44.564  179.852   61.743 123.4088 76.14581 
1 1 1   24   46    0 o  119.968   48.564   0.5578   0.4877   0.7330   0.5591   0.0000   0.9974  132.779   66.668  107.157   70.634 -0.000000 0.000000 
1 1 1   24   46    2 o  239.069   52.294   1.4363   0.6162   3.0758   1.3428   0.9988   0.6936  295.458   84.269  182.680   61.947 112.7783 104.5887 
1 1 1   24   46    4 o  460.732   38.593   6.1927   0.9128   5.9059   1.2991   6.4724   1.2829  448.389   56.352  473.075   52.746 -24.68597 77.18610 
1 1 1   24   46    6 o  223.505   40.430   1.5539   0.5027   0.8138   0.7213   2.2527   0.7009  170.136   62.648  276.874   51.125 -106.7382 80.86090 
1 1 1   25    0    1 o  143.805   53.809   0.7668   0.5306   0.8373   0.7956   0.7103   0.7122  149.323   78.397  138.287   73.725 -0.000000 0.000000 
1 1 1   25    0    3 o  1351.75   49.847   47.683   3.4401   48.000   4.7840   47.343   4.9504  1356.86   68.985  1346.63   71.973 -0.000000 0.000000 
1 1 1   25    0    5 f  2613.98   64.852  177.018   8.7035   0.0000   0.0000  177.018   8.7035  2613.98   64.852  2613.98   64.852 0.000000 0.000000 
1 1 1   25    0    7 o  301.330   80.217   2.7934   1.0738   2.7934   1.0738   0.0000   0.0000  301.330   80.217  301.330   80.217 -0.000000 0.000000 
1 1 1   25    0    9 o  258.898   62.322   2.2757   0.7425   2.3864   0.9530   2.1045   1.1844  276.376   77.490  241.420   97.629 -0.000000 0.000000 
1 1 1   25    0   11 o  325.352   95.020   3.3616   1.3802   3.3616   1.3802   0.0000   0.0000  325.352   95.020  325.352   95.020 0.000000 0.000000 
1 1 1   25    0   13 o   93.340   39.746   0.2221   0.3459   0.1971   0.5088   0.2435   0.4715   92.947   56.620   93.733   55.796 0.000000 0.000000 
1 1 1   25    0   15 o  249.991   55.722   1.8943   0.6651   3.1479   1.0928   1.1568   0.8382  325.804   74.937  174.178   82.489 0.000000 0.000000 
1 1 1   25    0   17 o  128.116   71.209   0.5838   0.6933   0.0000   0.0000   0.5838   0.6933  128.116   71.209  128.116   71.209 -0.000000 0.000000 
1 1 1   25    0   19 f  541.935   62.102   7.9150   1.6715   0.0000   0.0000   7.9150   1.6715  541.935   62.102  541.935   62.102 0.000000 0.000000 
1 1 1   25    0   21 o  563.599   46.240   8.5874   1.2800   8.5777   1.7039   8.5999   1.9391  565.275   60.363  561.923   70.063 -0.000000 0.000000 
1 1 1   25    0   23 o  466.966   53.087   6.0767   1.0947   4.1430   1.4643   8.5269   1.6483  369.980   88.753  563.952   58.274 -0.000000 0.000000 
1 1 1   25    0   25 o  385.906   69.429   4.2410   1.2450   0.0000   0.0000   4.2410   1.2450  385.906   69.429  385.906   69.429 0.000000 0.000000 
1 1 1   25    0   27 o  125.997   47.936   0.5812   0.4401   0.3960   0.6309   0.7567   0.6142  112.092   65.558  139.903   69.953 0.000000 0.000000 
1 1 1   25    0   29 o  537.243   45.978   7.8880   1.2196   7.6507   1.6875   8.1476   1.7648  528.631   64.680  545.855   65.363 -0.000000 0.000000 
1 1 1   25    0   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   33 o  506.682   49.604   7.2128   1.1717   8.9714   1.6903   5.5863   1.6256  575.319   58.536  438.045   80.098 -0.000000 0.000000 
1 1 1   25    0   35 o  715.173   44.286   13.855   1.5971   14.779   2.2801   12.965   2.2377  740.078   60.873  690.269   64.338 0.000000 0.000000 
1 1 1   25    0   37 o  186.637   48.078   1.2265   0.5148   1.9794   0.7336   0.4962   0.7225  252.232   65.462  121.043   70.432 0.000000 0.000000 
1 1 1   25    0   39 o  204.250   57.472   1.5525   0.6274   1.0431   0.8798   2.0796   0.8949  160.570   82.945  247.931   79.575 -0.000000 0.000000 
1 1 1   25    0   41 o  289.074   59.661   2.7317   0.7949   1.9155   1.0512   3.8214   1.2146  222.710   92.302  355.439   75.617 -0.000000 0.000000 
1 1 1   25    0   43 o   67.226   43.500   0.0000   0.3538   0.0000   0.3538   0.0000   0.0000   67.226   43.500   67.226   43.500 -0.000000 0.000000 
1 1 1   25    0   45 o  148.455   51.572   0.8987   0.4668   0.8979   0.6184   0.8998   0.7116  149.209   70.832  147.701   74.976 -0.000000 0.000000 
1 1 1   25    0   47 o  151.586   71.905   0.9398   0.6372   0.0000   0.0000   0.9398   0.6372  151.586   71.905  151.586   71.905 -0.000000 0.000000 
1 1 1   25    0   49 o  202.173   83.374   1.6342   0.8589   0.0000   0.0000   1.6342   0.8589  202.173   83.374  202.173   83.374 -0.000000 0.000000 
1 1 1   25    1    0 o  1222.95   51.128   38.783   3.2019   0.0000   0.0000   38.783   3.2019  1222.95   51.128  1222.95   51.128 -0.000000 0.000000 
1 1 1   25    1    2 o  644.415   35.857   10.768   1.1844   11.767   1.6787   9.7791   1.6712  674.399   48.416  614.430   52.904 59.96838 71.71445 
1 1 1   25    1    4 o  549.990   48.261   7.8762   1.3646   7.9817   1.9429   7.7735   1.9169  553.623   68.261  546.357   68.242 7.266113 96.52202 
1 1 1   25    1    6 o  1684.25   44.637   73.702   3.8612   78.514   5.5425   69.165   5.3822  1737.95   62.030  1630.55   64.203 107.3933 89.27356 
1 1 1   25    1    8 o  1231.84   32.633   39.255   2.0664   39.481   2.9494   39.036   2.8961  1235.28   46.441  1228.40   45.857 6.878784 65.26587 
1 1 1   25    1   10 o  825.463   32.145   17.635   1.3607   19.314   1.9433   16.021   1.9059  864.201   43.737  786.724   47.119 77.47650 64.28934 
1 1 1   25    1   12 f  767.655   31.693   15.251   1.2503   15.825   1.7754   14.686   1.7611  782.063   44.155  753.246   45.476 28.81714 63.38594 
1 1 1   25    1   14 o  1430.20   31.099   52.968   2.2867   53.149   3.2251   52.786   3.2426  1432.69   43.785  1427.70   44.176 4.994507 62.19801 
1 1 1   25    1   16 o  184.332   44.038   0.8332   0.5026   0.5569   0.7868   1.0236   0.6533  171.461   64.956  197.203   59.481 -25.74185 88.07564 
1 1 1   25    1   18 o  210.379   51.920   1.1982   0.5582   1.1982   0.5582   0.0000   0.0000  210.379   51.920  ?   ?       ?      ? 
1 1 1   25    1   20 o  344.343   40.229   3.1646   0.6681   3.1075   1.0976   3.1982   0.8420  338.148   65.502  350.538   46.722 -12.38953 80.45745 
1 1 1   25    1   22 o  406.461   31.857   4.3184   0.6596   3.6159   0.9239   5.0490   0.9421  372.226   48.276  440.697   41.581 -68.47034 63.71489 
1 1 1   25    1   24 o  504.512   30.984   6.6373   0.8033   6.3631   1.1299   6.9174   1.1422  493.867   44.501  515.157   43.124 -21.29007 61.96810 
1 1 1   25    1   26 o  913.821   30.127   21.904   1.4058   24.741   1.9848   19.048   1.9913  974.430   39.619  853.212   45.396 121.2186 60.25338 
1 1 1   25    1   28 o  268.207   35.009   1.9515   0.4648   1.8992   0.6608   2.0027   0.6540  264.320   50.469  272.095   48.531 -7.775391 70.01726 
1 1 1   25    1   30 o  463.250   38.562   5.7796   0.8633   5.4853   1.4769   5.9323   1.0641  451.360   63.645  475.139   43.560 -23.77905 77.12399 
1 1 1   25    1   32 o  280.584   45.820   2.1450   0.6947   1.1095   0.9491   3.3400   1.0196  208.173   72.398  352.994   56.180 -144.8215 91.63911 
1 1 1   25    1   34 o  626.939   31.944   10.574   0.9998   13.535   1.4240   7.6962   1.4040  717.376   38.609  536.502   50.902 180.8740 63.88789 
1 1 1   25    1   36 o  173.252   33.162   0.7553   0.3330   1.3554   0.4988   0.2727   0.4473  222.002   45.234  124.502   48.505 97.49982 66.32430 
1 1 1   25    1   38 o  599.720   32.703   9.7575   0.9755   6.9410   1.3638   12.708   1.3958  506.473   52.374  692.967   39.177 -186.4938 65.40578 
1 1 1   25    1   40 o  688.305   31.785   12.712   1.1247   12.580   1.5972   12.842   1.5839  684.474   45.387  692.136   44.511 -7.662598 63.57039 
1 1 1   25    1   42 o  470.214   69.115   6.3626   1.6708   6.3626   1.6708   0.0000   0.0000  470.214   69.115  ?   ?       ?      ? 
1 1 1   25    1   44 o  199.618   36.543   1.1463   0.3786   1.0612   0.5448   1.2258   0.5266  192.142   53.287  207.095   50.022 -14.95334 73.08688 
1 1 1   25    1   46 o  197.683   39.336   1.2272   0.4382   1.5277   0.5355   0.6177   0.7626  231.879   46.534  163.486   63.433 68.39294 78.67127 
1 1 1   25    1   48 f  234.354   41.980   1.4101   0.4865   0.9300   0.5775   2.5841   0.9031  177.795   56.330  290.913   62.259 -113.1182 83.95940 
1 1 1   25    2    1 f  864.261   35.994   19.348   1.5961   20.940   2.2723   17.798   2.2424  899.583   49.130  828.939   52.617 70.64343 71.98826 
1 1 1   25    2    3 o  944.665   42.254   22.923   1.9432   23.929   3.3678   22.421   2.3792  958.601   68.334  930.729   49.721 27.87201 84.50864 
1 1 1   25    2    5 o  851.477   46.275   18.904   2.0205   18.229   2.9321   19.513   2.7882  836.549   68.173  866.405   62.594 -29.85571 92.55064 
1 1 1   25    2    7 o  1597.28   43.041   66.124   3.5286   69.515   5.1775   63.182   4.8218  1635.21   61.585  1559.35   60.144 75.85840 86.08133 
1 1 1   25    2    9 o  1142.28   32.508   33.899   1.9009   30.948   2.7260   36.694   2.6522  1093.26   48.498  1191.31   43.302 -98.04565 65.01683 
1 1 1   25    2   11 o  1169.60   31.866   35.384   1.9154   36.808   2.7327   34.010   2.6855  1192.80   44.562  1146.40   45.563 46.39697 63.73186 
1 1 1   25    2   13 o  1069.80   44.024   31.140   2.1267   26.996   3.9938   32.781   2.5125  1014.16   76.597  1125.44   43.423 -111.2835 88.04851 
1 1 1   25    2   15 o  457.447   49.861   5.7529   1.0941   4.7657   1.7161   6.4290   1.4201  417.924   82.796  496.970   55.581 -79.04544 99.72124 
1 1 1   25    2   17 o  501.208   38.236   6.7722   0.9302   7.3480   1.1709   5.7866   1.5318  532.366   42.779  470.050   63.386 62.31616 76.47132 
1 1 1   25    2   19 o  725.260   38.975   13.385   1.3363   12.859   1.5879   14.660   2.4736  703.628   43.896  746.892   64.416 -43.26398 77.95081 
1 1 1   25    2   21 o  700.906   41.289   12.896   1.4875   12.643   2.1109   13.146   2.0965  693.868   59.173  707.945   57.600 -14.07733 82.57843 
1 1 1   25    2   23 f  1206.68   29.866   37.883   1.8524   36.945   2.5889   38.867   2.6518  1191.37   42.266  1221.99   42.208 -30.62244 59.73218 
1 1 1   25    2   25 o  806.266   30.210   16.943   1.2516   16.189   1.7431   17.745   1.7982  787.687   43.042  824.846   42.403 -37.15979 60.42042 
1 1 1   25    2   27 o  163.536   35.484   0.7049   0.3274   0.7630   0.4654   0.6480   0.4606  168.945   50.034  158.128   50.330 10.81659 70.96886 
1 1 1   25    2   29 o  238.365   36.467   1.8240   0.5081   0.0000   0.8445   2.8585   0.6360  145.778   62.627  330.952   37.380 -185.1741 72.93423 
1 1 1   25    2   31 o  206.221   39.703   1.2559   0.4499   1.5832   0.5535   0.6182   0.7726  241.143   46.328  171.299   64.491 69.84354 79.40681 
1 1 1   25    2   33 o  696.467   37.595   12.854   1.2747   13.391   2.2017   12.583   1.5634  702.982   60.918  689.952   44.073 13.02960 75.18929 
1 1 1   25    2   35 o  309.570   32.437   2.5449   0.5155   2.3643   0.7149   2.7405   0.7442  297.970   46.664  321.171   45.067 -23.20114 64.87377 
1 1 1   25    2   37 o  255.981   36.054   1.8126   0.4640   1.5083   0.6654   2.1006   0.6473  231.222   56.464  280.740   44.850 -49.51816 72.10860 
1 1 1   25    2   39 o  211.244   37.707   1.2512   0.4176   1.6223   0.6015   0.9058   0.5802  241.131   50.155  181.358   56.319 59.77312 75.41455 
1 1 1   25    2   41 o  510.823   46.879   7.3955   1.2307   7.2330   1.7472   7.5555   1.7339  504.484   67.364  517.161   65.214 -12.67755 93.75889 
1 1 1   25    2   43 o  286.480   45.852   2.2587   0.7678   0.5810   1.0277   4.3786   1.1552  177.167   72.019  395.794   56.769 -218.6267 91.70325 
1 1 1   25    2   45 o  141.191   33.566   0.5432   0.3101   0.7537   0.3653   0.0000   0.5868  163.532   42.908  118.850   51.630 44.68167 67.13238 
1 1 1   25    2   47 o  245.875   48.750   1.8707   0.6421   1.5802   0.8634   2.2301   0.9603  225.253   68.481  266.497   69.402 -41.24361 97.49965 
1 1 1   25    2   49 o  148.785   36.196   0.5525   0.3801   0.9856   0.5076   0.0000   0.5733  182.043   51.778  115.526   50.592 66.51701 72.39111 
1 1 1   25    3    0 o  1024.67   51.197   27.289   2.6818   27.289   2.6818   0.0000   0.0000  1024.67   51.197  1024.67   51.197 0.000000 0.000000 
1 1 1   25    3    2 f  487.486   36.381   6.1867   0.9046   5.3034   1.2805   7.0667   1.2781  452.307   55.063  522.665   47.563 -70.35834 72.76115 
1 1 1   25    3    4 o  674.873   48.289   11.970   1.6598   10.702   2.4277   13.082   2.2745  640.276   73.750  709.471   62.357 -69.19531 96.57866 
1 1 1   25    3    6 o  1250.90   59.765   40.649   3.8436   0.0000   0.0000   40.649   3.8436  ?   ?   1250.90   59.765      ?      ? 
1 1 1   25    3    8 o  169.433   34.192   0.7158   0.3359   1.1577   0.4876   0.3167   0.4634  207.454   46.829  131.411   49.835 76.04263 68.38457 
1 1 1   25    3   10 o  1466.87   32.292   55.591   2.4327   59.313   3.5116   52.156   3.3733  1514.13   45.110  1419.61   46.218 94.52039 64.58355 
1 1 1   25    3   12 o  811.495   41.893   16.889   1.5740   17.693   2.9893   16.581   1.8515  822.622   70.680  800.368   44.994 22.25391 83.78666 
1 1 1   25    3   14 o  614.482   37.184   10.036   1.1282   10.743   1.4411   8.9175   1.8133  644.092   43.519  584.872   60.304 59.21997 74.36721 
1 1 1   25    3   16 o  498.593   32.161   6.4723   0.8213   6.9362   1.1441   5.9790   1.1798  517.333   43.016  479.853   47.823 37.47946 64.32246 
1 1 1   25    3   18 o  829.229   30.918   17.889   1.3148   19.033   1.8417   16.699   1.8778  856.680   41.815  801.777   45.553 54.90253 61.83516 
1 1 1   25    3   20 o  357.260   43.073   3.3724   0.6978   3.3233   0.8259   3.4950   1.3042  357.461   44.940  357.060   73.495 0.4010315 86.14568 
1 1 1   25    3   22 o  1199.21   37.136   38.607   2.1665   34.425   3.5982   40.985   2.7134  1143.09   61.227  1255.34   42.042 -112.2571 74.27123 
1 1 1   25    3   24 o  846.162   30.165   18.653   1.3120   18.283   1.8318   19.042   1.8799  837.598   42.539  854.726   42.779 -17.12836 60.32907 
1 1 1   25    3   26 o  436.499   31.339   4.9957   0.7012   5.2299   0.9713   4.7408   1.0134  447.556   42.214  425.443   46.329 22.11273 62.67715 
1 1 1   25    3   28 o  278.043   40.367   2.0317   0.5456   2.5773   0.8969   1.7113   0.6874  306.513   59.057  249.573   55.049 56.93970 80.73466 
1 1 1   25    3   30 o  328.348   42.400   3.1196   0.6541   3.5557   0.8213   2.3635   1.0814  367.832   43.430  288.865   72.834 78.96713 84.79998 
1 1 1   25    3   32 o  651.042   37.866   11.194   1.1796   10.970   1.4235   11.684   2.1074  645.187   42.914  656.897   62.399 -11.70966 75.73122 
1 1 1   25    3   34 o  223.424   39.498   1.5114   0.4728   0.7193   0.8319   1.8894   0.5747  179.367   67.038  267.482   41.788 -88.11491 78.99574 
1 1 1   25    3   36 o  325.515   33.551   2.8347   0.5607   2.7312   0.8045   2.9324   0.7818  319.321   49.001  331.709   45.842 -12.38770 67.10149 
1 1 1   25    3   38 o  568.336   31.926   8.6410   0.9304   7.9193   1.3130   9.3689   1.3186  543.579   46.980  593.093   43.242 -49.51349 63.85166 
1 1 1   25    3   40 o  317.704   44.983   2.9681   0.6688   2.5866   1.1808   3.1482   0.8115  293.297   77.237  342.110   46.135 -48.81354 89.96665 
1 1 1   25    3   42 o  179.649   41.921   0.8769   0.4308   0.8817   0.5204   0.8666   0.7679  177.259   53.001  182.039   64.965 -4.780334 83.84258 
1 1 1   25    3   44 o  327.516   52.720   3.2985   0.8687   3.5876   1.2417   3.0212   1.2159  343.334   72.612  311.699   76.454 31.63531 105.4405 
1 1 1   25    3   46 o  225.480   49.182   1.5661   0.6265   1.5584   0.8669   1.5746   0.9066  225.158   68.655  225.803   70.441 -0.6455231 98.36363 
1 1 1   25    3   48 o  335.485   50.199   3.5567   0.8596   2.5952   1.1920   4.5984   1.2408  277.504   79.484  393.467   61.336 -115.9632 100.3986 
1 1 1   25    4    1 o  532.525   37.371   7.4405   1.0007   5.6400   1.4084   9.2758   1.4220  466.144   58.768  598.905   46.180 -132.7608 74.74155 
1 1 1   25    4    3 f  1299.48   48.155   43.923   3.2137   45.210   4.6784   42.774   4.4220  1317.23   69.082  1281.73   67.106 35.50134 96.30965 
1 1 1   25    4    5 o  1039.42   45.344   28.043   2.4099   28.723   3.6198   27.502   3.2297  1050.12   67.046  1028.71   61.067 21.41760 90.68842 
1 1 1   25    4    7 o  768.966   43.874   15.532   1.7099   14.298   2.5834   16.494   2.2811  740.642   67.845  797.290   55.648 -56.64801 87.74744 
1 1 1   25    4    9 o  767.844   45.424   16.108   1.5572   13.781   2.9647   16.994   1.8300  725.054   79.532  810.635   43.908 -85.58081 90.84778 
1 1 1   25    4   11 o  355.983   49.740   3.4606   0.8626   3.0300   1.3943   3.7276   1.0980  333.161   81.962  378.806   56.377 -45.64563 99.47984 
1 1 1   25    4   13 o  502.352   38.051   6.7929   0.9362   7.5174   1.1985   5.6587   1.4995  538.903   43.257  465.802   62.613 73.10114 76.10237 
1 1 1   25    4   15 o  331.368   36.173   2.9226   0.5879   2.2054   0.8205   3.6790   0.8428  285.924   57.807  376.811   43.502 -90.88782 72.34675 
1 1 1   25    4   17 o  809.366   31.319   17.103   1.2949   18.789   1.8002   15.296   1.8638  851.475   41.124  767.257   47.249 84.21747 62.63856 
1 1 1   25    4   19 o  172.216   35.175   0.7669   0.3413   0.4733   0.4736   1.0844   0.4924  144.273   51.068  200.159   48.385 -55.88564 70.34906 
1 1 1   25    4   21 f  186.899   43.225   0.9000   0.4610   0.9901   0.5483   0.6828   0.8514  191.764   53.555  182.034   67.863 9.730118 86.44962 
1 1 1   25    4   23 o  554.011   30.922   8.0426   0.8756   8.7666   1.2165   7.2642   1.2615  580.521   40.758  527.501   46.513 53.02020 61.84422 
1 1 1   25    4   25 o  394.911   39.477   3.6204   0.7305   3.0063   0.8473   5.3995   1.4421  338.672   48.662  451.150   62.175 -112.4778 78.95351 
1 1 1   25    4   27 o  268.783   41.769   1.9597   0.5453   2.0962   0.9047   1.8818   0.6833  274.802   65.044  262.763   52.420 12.03918 83.53843 
1 1 1   25    4   29 o  634.423   39.974   11.406   1.1790   12.707   1.4490   8.8578   2.0283  696.765   40.450  572.080   68.961 124.6854 79.94883 
1 1 1   25    4   31 o  213.968   36.196   1.2489   0.3923   1.0891   0.5276   1.4463   0.5866  198.801   51.285  229.136   51.092 -30.33485 72.39185 
1 1 1   25    4   33 o  141.568   38.294   0.3645   0.3442   0.3243   0.3949   0.4915   0.7016  124.465   46.256  158.670   61.043 -34.20475 76.58876 
1 1 1   25    4   35 o  174.645   35.912   0.8188   0.3458   0.6234   0.4698   1.0498   0.5109  154.895   50.955  194.395   50.619 -39.50008 71.82442 
1 1 1   25    4   37 o  238.235   37.593   1.5919   0.4519   1.9660   0.6469   1.2353   0.6316  267.025   48.925  209.445   57.090 57.58037 75.18527 
1 1 1   25    4   39 o  289.113   49.587   2.4611   0.7386   2.9948   1.0416   1.9213   1.0475  322.942   64.984  255.285   74.916 67.65688 99.17327 
1 1 1   25    4   41 o  368.024   47.293   3.6652   0.8948   3.6652   0.8948   0.0000   0.0000  368.024   47.293  ?   ?       ?      ? 
1 1 1   25    4   43 o  194.011   44.388   1.0398   0.5292   1.4755   0.7454   0.5972   0.7514  224.054   62.400  163.968   63.146 60.08577 88.77645 
1 1 1   25    4   45 o  282.521   50.776   2.4598   0.7407   2.1526   1.0166   2.8076   1.0816  262.897   72.749  302.144   70.853 -39.24725 101.5511 
1 1 1   25    4   47 o  182.251   42.052   0.9464   0.4221   0.9354   0.4936   0.9764   0.8143  179.215   51.084  185.287   66.813 -6.071274 84.10438 
1 1 1   25    4   49 o  128.133   35.324   0.2444   0.2839   0.1309   0.3190   0.6769   0.6228   98.051   40.022  158.216   58.219 -60.16487 70.64835 
1 1 1   25    5    0 o  953.284   72.343   23.932   3.4986   23.932   3.4986   0.0000   0.0000  953.284   72.343  953.284   72.343 0.000000 0.000000 
1 1 1   25    5    2 o  901.638   49.244   21.178   2.2794   21.424   3.3224   20.958   3.1330  906.295   71.304  896.980   67.938 9.315491 98.48744 
1 1 1   25    5    4 o  631.054   62.492   10.355   2.0275   0.0000   0.0000   10.355   2.0275  ?   ?   631.054   62.492      ?      ? 
1 1 1   25    5    6 o  1619.94   57.303   68.128   4.7725   0.0000   0.0000   68.128   4.7725  ?   ?   1619.94   57.303      ?      ? 
1 1 1   25    5    8 o  1355.78   55.717   47.707   3.8837   0.0000   0.0000   47.707   3.8837  ?   ?   1355.78   55.717      ?      ? 
1 1 1   25    5   10 o  449.713   37.706   5.2936   0.8571   5.5359   1.1297   4.9650   1.3157  462.371   47.523  437.055   58.555 25.31580 75.41243 
1 1 1   25    5   12 o  463.332   32.685   5.5797   0.7755   5.0539   1.1041   6.0915   1.0893  441.528   48.640  485.137   43.675 -43.60864 65.37074 
1 1 1   25    5   14 o  816.622   31.732   17.287   1.3309   16.290   1.8728   18.303   1.8916  792.678   45.953  840.566   43.772 -47.88861 63.46395 
1 1 1   25    5   16 o  243.909   41.135   1.6414   0.5036   1.7821   0.6503   1.4305   0.7961  257.385   50.944  230.433   64.598 26.95218 82.26909 
1 1 1   25    5   18 o  849.344   30.627   18.689   1.3360   17.694   1.8437   19.790   1.9387  825.553   43.439  873.136   43.188 -47.58270 61.25417 
1 1 1   25    5   20 o  811.035   30.666   17.178   1.2724   18.252   1.7537   15.983   1.8490  838.482   40.681  783.588   45.897 54.89459 61.33128 
1 1 1   25    5   22 o  238.645   47.986   1.5422   0.6152   1.4447   0.8346   1.6583   0.9105  230.877   66.620  246.412   69.083 -15.53522 95.97223 
1 1 1   25    5   24 o  349.105   35.169   3.3152   0.5969   4.0161   0.8224   2.5352   0.8676  392.717   40.732  305.494   57.344 87.22293 70.33797 
1 1 1   25    5   26 o  584.054   44.112   8.9231   1.3246   0.0000   0.0000   8.9231   1.3246  ?   ?   584.054   44.112      ?      ? 
1 1 1   25    5   28 o  1077.04   36.206   30.602   1.8898   30.533   2.3163   30.741   3.2685  1080.05   41.714  1074.03   59.191 6.020020 72.41253 
1 1 1   25    5   30 o  129.626   31.988   0.3397   0.2875   0.6513   0.3982   0.0000   0.4157  155.945   46.303  103.308   44.147 52.63715 63.97599 
1 1 1   25    5   32 o  428.676   31.822   4.8764   0.6921   3.9349   0.9655   5.8719   0.9927  384.897   48.789  472.455   40.870 -87.55865 63.64497 
1 1 1   25    5   34 o  308.960   50.964   2.7080   0.7963   2.2043   1.0698   3.3337   1.1923  276.130   73.899  341.790   70.201 -65.66000 101.9277 
1 1 1   25    5   36 o  206.199   42.317   1.2045   0.4619   1.2763   0.5617   1.0545   0.8118  213.759   51.682  198.639   67.022 15.11989 84.63448 
1 1 1   25    5   38 o  287.159   40.121   1.9472   0.5532   1.2832   0.6574   3.5581   1.0239  212.855   58.336  361.462   55.097 -148.6069 80.24213 
1 1 1   25    5   40 o  616.366   64.689   10.671   2.0499   10.671   2.0499   0.0000   0.0000  616.366   64.689  ?   ?       ?      ? 
1 1 1   25    5   42 o  142.479   38.465   0.3966   0.3773   0.2920   0.4668   0.5935   0.6407  126.341   49.461  158.616   58.922 -32.27428 76.93007 
1 1 1   25    5   44 o  159.155   40.627   0.6075   0.4408   0.9103   0.6253   0.3085   0.6214  179.796   58.769  138.514   56.110 41.28198 81.25338 
1 1 1   25    5   46 o  142.917   36.481   0.3299   0.3184   0.1163   0.3681   0.9658   0.6350  103.206   42.652  182.629   59.196 -79.42313 72.96129 
1 1 1   25    5   48 o  321.070   46.049   3.7410   0.7199   4.7822   0.8830   1.6777   1.2430  416.682   41.220  225.458   82.358 191.2233 92.09711 
1 1 1   25    6    1 o  481.244   76.234   6.0552   1.8862   0.0000   0.0000   6.0552   1.8862  ?   ?   481.244   76.234      ?      ? 
1 1 1   25    6    3 o  1117.34   72.220   32.592   4.1487   0.0000   0.0000   32.592   4.1487  ?   ?   1117.34   72.220      ?      ? 
1 1 1   25    6    5 o  1774.35   68.307   82.075   6.2312   82.075   6.2312   0.0000   0.0000  1774.35   68.307  ?   ?       ?      ? 
1 1 1   25    6    7 o  903.737   66.083   21.280   3.0705   21.280   3.0705   0.0000   0.0000  903.737   66.083  ?   ?       ?      ? 
1 1 1   25    6    9 o  1281.66   41.709   42.568   2.7327   43.873   4.1150   41.538   3.6550  1298.53   61.638  1264.78   56.208 33.75537 83.41870 
1 1 1   25    6   11 o  975.932   32.229   24.630   1.6161   25.792   2.3318   23.557   2.2418  998.058   45.443  953.805   45.715 44.25287 64.45872 
1 1 1   25    6   13 o  395.209   33.298   4.0560   0.6754   3.9142   0.9731   4.1879   0.9382  388.412   48.729  402.006   45.394 -13.59409 66.59637 
1 1 1   25    6   15 o  1212.12   31.229   38.086   1.9457   37.734   2.7167   38.458   2.7879  1206.44   43.799  1217.79   44.529 -11.34631 62.45900 
1 1 1   25    6   17 o  920.857   31.021   22.036   1.4656   22.468   2.0207   21.556   2.1288  930.722   42.228  910.992   45.452 19.73029 62.04136 
1 1 1   25    6   19 o  744.313   31.994   14.690   1.1974   17.574   1.6583   11.550   1.7306  823.207   39.183  665.418   50.588 157.7888 63.98741 
1 1 1   25    6   21 o  1226.22   30.116   39.111   1.8949   39.136   2.6013   39.082   2.7660  1227.09   41.232  1225.35   43.906 1.747437 60.23136 
1 1 1   25    6   23 o  730.445   45.828   14.125   1.7028   14.008   2.2477   14.282   2.6086  728.482   60.014  732.409   69.276 -3.927185 91.65575 
1 1 1   25    6   25 o  677.991   30.532   12.019   1.0624   12.273   1.4690   11.739   1.5381  685.903   41.658  670.080   44.648 15.82349 61.06398 
1 1 1   25    6   27 o  866.769   36.830   20.113   1.5327   20.670   1.8774   18.999   2.6543  889.323   41.060  844.215   61.155 45.10809 73.66016 
1 1 1   25    6   29 o  610.338   31.086   9.8518   0.9682   10.950   1.3496   8.6874   1.3898  646.582   40.599  574.094   47.086 72.48767 62.17178 
1 1 1   25    6   31 o  643.520   30.809   10.909   1.0191   10.740   1.4231   11.086   1.4600  638.498   43.351  648.542   43.788 -10.04327 61.61763 
1 1 1   25    6   33 o  418.510   37.905   4.2491   0.7709   3.3812   0.9239   6.2386   1.3988  355.880   50.494  481.139   56.547 -125.2588 75.81017 
1 1 1   25    6   35 o  178.891   45.392   0.7770   0.5225   0.7607   0.6711   0.8021   0.8327  174.033   60.859  183.749   67.365 -9.716034 90.78452 
1 1 1   25    6   37 o  344.242   50.540   3.3001   0.8935   1.8638   1.1823   5.2124   1.3642  253.085   80.641  435.399   60.944 -182.3141 101.0800 
1 1 1   25    6   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   41 o  357.966   49.802   3.7719   0.8933   2.6086   1.2413   5.0217   1.2866  291.339   80.294  424.592   58.939 -133.2536 99.60386 
1 1 1   25    6   43 o  232.006   42.912   1.6405   0.5210   1.8863   0.6584   1.2289   0.8520  257.697   51.497  206.315   68.656 51.38168 85.82304 
1 1 1   25    6   45 o  280.039   38.860   2.0342   0.5312   1.4599   0.6493   3.1972   0.9240  222.786   56.578  337.291   53.284 -114.5049 77.71947 
1 1 1   25    6   47 o  340.947   39.965   3.2705   0.5936   3.1420   0.6862   3.6525   1.1832  339.555   39.308  342.340   69.597 -2.784882 79.93070 
1 1 1   25    7    0 o  232.893   70.908   1.7399   0.7414   0.0000   0.0000   1.7399   0.7414  232.893   70.908  232.893   70.908 -0.000000 0.000000 
1 1 1   25    7    2 o  671.790   45.122   12.128   1.4256   10.748   2.5215   12.777   1.7285  640.985   76.513  702.594   47.850 -61.60931 90.24316 
1 1 1   25    7    4 o  482.078   47.338   6.1805   1.1375   5.4703   1.7827   6.6683   1.4774  457.315   75.822  506.841   56.696 -49.52588 94.67538 
1 1 1   25    7    6 o  1136.02   43.753   33.591   2.5055   33.458   3.9467   33.681   3.2428  1132.79   67.766  1139.24   55.365 -6.447021 87.50663 
1 1 1   25    7    8 o  1420.99   49.472   52.934   3.5734   54.287   4.7488   51.168   5.4257  1443.80   63.975  1398.18   75.479 45.61914 98.94328 
1 1 1   25    7   10 f  831.164   48.043   17.759   2.0261   16.408   2.6239   19.755   3.1887  793.290   64.334  869.038   71.369 -75.74805 96.08521 
1 1 1   25    7   12 o  1158.56   32.042   34.754   1.9069   36.830   2.7316   32.780   2.6633  1192.44   44.557  1124.68   46.059 67.76086 64.08384 
1 1 1   25    7   14 o  1022.82   31.668   27.150   1.6634   28.463   2.3441   25.817   2.3608  1048.01   43.506  997.623   46.029 50.38501 63.33585 
1 1 1   25    7   16 o  507.796   32.404   6.7246   0.8422   7.2639   1.1733   6.1514   1.2097  529.182   43.127  486.409   48.374 42.77267 64.80757 
1 1 1   25    7   18 o  718.779   31.259   13.396   1.1534   12.940   1.5788   13.918   1.6890  705.801   43.508  731.758   44.894 -25.95648 62.51725 
1 1 1   25    7   20 o  909.409   30.387   21.465   1.4181   20.879   1.9370   22.141   2.0818  896.288   42.034  922.529   43.893 -26.24115 60.77398 
1 1 1   25    7   22 o  576.641   30.932   8.7105   0.9114   9.2292   1.2471   8.1160   1.3351  595.680   40.721  557.602   46.573 38.07800 61.86481 
1 1 1   25    7   24 o  179.434   52.654   0.8619   0.5175   0.0000   0.0000   0.8619   0.5175  ?   ?   179.434   52.654      ?      ? 
1 1 1   25    7   26 o  421.841   45.327   4.8710   0.9368   6.0093   1.3267   3.7391   1.3230  476.981   54.100  366.701   72.742 110.2803 90.65478 
1 1 1   25    7   28 o  526.804   31.241   7.3135   0.8418   7.6450   1.1517   6.9332   1.2335  540.325   41.460  513.283   46.744 27.04193 62.48156 
1 1 1   25    7   30 o  210.117   40.356   0.9083   0.4282   0.4995   0.4969   2.0883   0.8442  146.611   52.265  273.623   61.503 -127.0115 80.71124 
1 1 1   25    7   32 o  580.274   40.084   8.9815   1.0874   8.8770   1.2921   9.2354   2.0135  579.858   43.341  580.690   67.442 -0.8322754 80.16715 
1 1 1   25    7   34 o  255.876   42.039   1.5900   0.5159   1.1289   0.6129   2.7097   0.9552  201.355   56.764  310.397   62.022 -109.0423 84.07717 
1 1 1   25    7   36 o  164.260   43.922   0.5463   0.5196   0.2622   0.7315   0.8355   0.7382  147.011   60.372  181.508   63.809 -34.49722 87.84303 
1 1 1   25    7   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   40 f  621.099   44.774   10.368   1.4297   10.368   1.4297   0.0000   0.0000  621.099   44.774  ?   ?       ?      ? 
1 1 1   25    7   42 o  252.318   37.777   1.4680   0.4291   1.0685   0.4912   2.7564   0.8821  194.162   49.156  310.473   57.377 -116.3114 75.55429 
1 1 1   25    7   44 o  213.563   40.012   1.3269   0.4048   1.3441   0.4636   1.2720   0.8304  219.372   42.645  207.755   67.714 11.61626 80.02370 
1 1 1   25    7   46 o  159.733   38.139   0.5939   0.3195   0.4859   0.3603   0.9914   0.6913  134.590   44.641  184.875   61.850 -50.28543 76.27711 
1 1 1   25    7   48 o  186.023   65.916   1.0270   0.7892   0.0000   0.0000   1.0270   0.7892  ?   ?   186.023   65.916      ?      ? 
1 1 1   25    8    1 o  1127.77   35.638   33.005   2.0627   31.439   2.9551   34.493   2.8807  1101.33   52.190  1154.21   48.544 -52.88159 71.27625 
1 1 1   25    8    3 o  193.665   41.681   1.0066   0.4363   0.7018   0.8270   1.1241   0.5136  183.029   67.127  204.301   49.430 -21.27296 83.36275 
1 1 1   25    8    5 o  910.366   44.004   21.242   2.0166   23.103   3.2505   20.078   2.5713  941.396   67.161  879.336   56.876 62.05914 88.00783 
1 1 1   25    8    7 o  762.896   43.607   14.957   1.6810   16.130   2.6736   14.190   2.1618  786.643   66.108  739.150   56.886 47.49274 87.21410 
1 1 1   25    8    9 o  1063.23   32.839   29.155   1.7913   31.260   2.6384   27.356   2.4398  1098.63   46.710  1027.84   46.170 70.79309 65.67714 
1 1 1   25    8   11 o  639.172   49.353   10.635   1.5927   10.381   2.0557   11.015   2.5191  630.714   63.396  647.630   75.657 -16.91571 98.70646 
1 1 1   25    8   13 o  725.159   32.324   13.639   1.2048   13.548   1.7202   13.726   1.6879  722.714   46.296  727.604   45.121 -4.890564 64.64702 
1 1 1   25    8   15 o  414.477   32.802   4.4576   0.6952   3.8613   0.9641   5.1038   1.0035  385.407   48.655  443.548   44.007 -58.14102 65.60391 
1 1 1   25    8   17 o  327.637   36.448   2.9228   0.5788   3.6525   0.8022   2.1304   0.8359  375.206   41.585  280.068   59.870 95.13800 72.89520 
1 1 1   25    8   19 o  452.795   32.514   5.4426   0.7416   6.1984   1.0051   4.5392   1.0989  488.680   40.005  416.910   51.266 71.77060 65.02739 
1 1 1   25    8   21 o  179.587   34.741   0.8724   0.3412   1.1468   0.4710   0.5694   0.4950  205.814   45.706  153.359   52.333 52.45476 69.48281 
1 1 1   25    8   23 o  599.676   71.328   9.6118   2.1991   0.0000   0.0000   9.6118   2.1991  ?   ?   599.676   71.328      ?      ? 
1 1 1   25    8   25 o  296.800   46.358   2.4499   0.6913   2.8937   0.9741   1.9996   0.9811  325.461   60.441  268.139   70.306 57.32159 92.71548 
1 1 1   25    8   27 o  247.035   44.623   1.8228   0.5504   2.0753   0.6343   1.0532   1.1073  281.352   43.854  212.717   77.728 68.63449 89.24553 
1 1 1   25    8   29 o  412.342   38.397   4.0847   0.7616   3.3629   0.9028   5.8660   1.4182  356.575   49.244  468.108   58.927 -111.5333 76.79408 
1 1 1   25    8   31 o  264.151   43.268   1.4707   0.5254   0.9425   0.5978   3.2646   1.1017  186.555   57.035  341.746   65.080 -155.1912 86.53558 
1 1 1   25    8   33 o  394.634   50.407   4.4647   0.9773   4.9359   1.2983   3.8485   1.4846  426.697   59.182  362.571   81.614 64.12573 100.8133 
1 1 1   25    8   35 o  547.597   47.787   8.2382   1.3164   6.1928   1.7772   10.724   1.9593  469.165   73.680  626.030   60.876 -156.8648 95.57478 
1 1 1   25    8   37 o  298.241   49.315   2.5644   0.7418   2.2852   1.0046   2.8992   1.0999  280.145   69.957  316.337   69.526 -36.19226 98.62992 
1 1 1   25    8   39 o  428.545   39.913   4.6559   0.8242   4.0010   0.9812   6.2256   1.5191  384.453   49.639  472.638   62.515 -88.18494 79.82601 
1 1 1   25    8   41 o  262.056   41.525   2.2777   0.4978   2.6001   0.5690   1.2262   1.0275  313.227   35.332  210.884   75.159 102.3435 83.04966 
1 1 1   25    8   43 o  350.595   43.397   3.7362   0.6219   3.9079   0.7106   3.1742   1.2856  382.759   36.108  318.431   78.926 64.32855 86.79330 
1 1 1   25    8   45 o  160.238   36.387   0.4836   0.3418   0.1471   0.4050   1.3164   0.6371  109.384   44.921  211.091   57.256 -101.7072 72.77439 
1 1 1   25    8   47 o  164.281   36.254   0.8237   0.3480   0.9935   0.4046   0.3415   0.6820  186.440   43.080  142.121   58.322 44.31892 72.50729 
1 1 1   25    9    0 o  202.239   72.919   1.4008   0.6947   1.4008   0.6947   0.0000   0.0000  202.239   72.919  202.239   72.919 0.000000 0.000000 
1 1 1   25    9    2 o  748.877   34.738   14.440   1.3333   16.056   1.9687   13.071   1.8121  787.419   48.630  710.334   49.619 77.08478 69.47665 
1 1 1   25    9    4 o  285.739   45.577   2.6663   0.6589   0.7112   1.2540   3.4117   0.7743  208.157   81.182  363.322   41.455 -155.1645 91.15388 
1 1 1   25    9    6 o  589.451   45.788   9.2743   1.3338   8.1554   2.1314   9.9944   1.7099  558.263   74.260  620.638   53.588 -62.37488 91.57671 
1 1 1   25    9    8 o  798.186   40.415   16.785   1.5283   15.977   2.7240   17.156   1.8462  782.179   67.737  814.193   44.104 -32.01385 80.82965 
1 1 1   25    9   10 o  1409.74   38.542   51.225   2.6432   53.009   4.5779   50.334   3.2373  1425.54   62.462  1393.94   45.171 31.60400 77.08374 
1 1 1   25    9   12 o  1273.26   49.144   42.822   3.1449   44.102   4.0794   40.946   4.9376  1299.76   61.047  1246.77   77.031 52.99023 98.28761 
1 1 1   25    9   14 o  680.648   32.262   12.053   1.1250   13.198   1.5902   10.905   1.5918  713.409   43.356  647.887   47.787 65.52142 64.52367 
1 1 1   25    9   16 o  577.610   31.768   8.7042   0.9386   9.1511   1.2866   8.1957   1.3724  593.892   42.137  561.329   47.554 32.56262 63.53649 
1 1 1   25    9   18 o  439.849   32.056   5.0507   0.7196   5.1925   0.9696   4.8768   1.0739  447.100   42.179  432.598   48.283 14.50241 64.11160 
1 1 1   25    9   20 o  1826.26   30.137   86.753   2.8187   86.574   3.8206   86.967   4.1754  1825.14   40.716  1827.38   44.443 -2.235596 60.27385 
1 1 1   25    9   22 o  208.077   45.874   0.9974   0.5350   0.6414   0.6581   1.6905   0.9184  167.894   60.118  248.259   69.308 -80.36552 91.74880 
1 1 1   25    9   24 o  883.946   41.418   20.382   1.8823   20.382   1.8823   0.0000   0.0000  883.946   41.418  ?   ?       ?      ? 
1 1 1   25    9   26 o  181.865   40.798   0.9365   0.4410   1.1934   0.4978   0.0000   0.9504  209.152   47.392  154.578   66.423 54.57404 81.59657 
1 1 1   25    9   28 o  310.350   45.081   2.4746   0.6296   2.2934   0.7276   3.0147   1.2563  294.849   47.995  325.851   76.327 -31.00159 90.16289 
1 1 1   25    9   30 f  217.005   49.271   1.2804   0.6254   1.4141   0.8363   1.1107   0.9421  225.753   67.121  208.256   72.148 17.49655 98.54168 
1 1 1   25    9   32 o  278.311   52.614   2.2999   0.7782   2.6960   1.0026   1.6998   1.2342  309.132   65.139  247.490   82.641 61.64154 105.2271 
1 1 1   25    9   34 o  320.748   43.504   3.0118   0.5769   3.1372   0.6545   2.5755   1.2210  345.427   36.855  296.069   78.818 49.35818 87.00893 
1 1 1   25    9   36 o  330.177   51.673   3.1286   0.8594   2.3296   1.1570   4.1120   1.2835  280.875   77.562  379.480   68.298 -98.60513 103.3467 
1 1 1   25    9   38 f  498.616   36.123   6.5625   0.9260   6.5625   0.9260   0.0000   0.0000  498.616   36.123  ?   ?       ?      ? 
1 1 1   25    9   40 o  494.823   40.126   6.8894   0.8414   7.0025   0.9596   6.5134   1.7500  514.036   36.311  475.610   71.566 38.42542 80.25106 
1 1 1   25    9   42 f  493.630   37.223   6.4540   0.8119   6.1882   0.9288   7.3154   1.6720  481.502   37.520  505.757   64.300 -24.25482 74.44658 
1 1 1   25    9   44 o  279.321   41.208   2.3993   0.4898   2.5231   0.5565   1.9734   1.0317  307.293   35.222  251.349   74.511 55.94377 82.41652 
1 1 1   25    9   46 o  198.494   41.961   1.1251   0.4399   1.0108   0.5355   1.3623   0.7714  185.731   53.298  211.257   64.825 -25.52553 83.92257 
1 1 1   25    9   48 o  198.801   63.445   1.2251   0.7316   1.2251   0.7316   0.0000   0.0000  198.801   63.445  ?   ?       ?      ? 
1 1 1   25   10    1 o  899.456   35.062   20.942   1.6182   21.234   2.3712   20.688   2.2139  905.119   50.955  893.793   48.177 11.32666 70.12484 
1 1 1   25   10    3 o  248.356   43.602   1.3397   0.5013   2.5210   1.0307   0.9738   0.5737  305.112   67.496  191.600   55.216 113.5116 87.20400 
1 1 1   25   10    5 o  611.886   44.016   9.4572   1.3545   11.154   2.2125   8.4402   1.7131  654.004   65.801  569.768   58.480 84.23615 88.03210 
1 1 1   25   10    7 o  316.192   47.915   2.5879   0.7344   3.2329   1.2292   2.2299   0.9157  345.392   71.575  286.992   63.722 58.40018 95.83074 
1 1 1   25   10    9 o  356.763   44.200   3.4320   0.7216   3.2497   1.3061   3.5120   0.8657  345.363   75.651  368.163   45.733 -22.80063 88.40053 
1 1 1   25   10   11 o  1199.82   32.626   37.356   2.0095   36.898   2.9135   37.773   2.7752  1192.47   47.523  1207.18   44.715 -14.70142 65.25257 
1 1 1   25   10   13 o  507.997   54.830   7.1297   1.3375   7.9495   1.7383   5.9402   2.0940  551.334   61.326  464.660   90.908 86.67407 109.6592 
1 1 1   25   10   15 o  186.583   37.134   0.9253   0.3770   0.7054   0.5290   1.1522   0.5374  166.857   54.025  206.309   50.962 -39.45099 74.26862 
1 1 1   25   10   17 o  230.365   37.923   1.4232   0.4412   1.1870   0.5953   1.7110   0.6571  209.268   54.717  251.463   52.524 -42.19540 75.84641 
1 1 1   25   10   19 o  834.741   40.236   17.054   1.5135   15.846   1.7338   20.924   3.1030  780.433   43.210  889.049   67.886 -108.6160 80.47124 
1 1 1   25   10   21 o  1352.87   45.045   47.413   3.0745   43.443   3.9232   53.731   4.9493  1283.55   59.451  1422.19   67.689 -138.6405 90.08998 
1 1 1   25   10   23 o  156.434   47.805   0.6436   0.4200   0.6436   0.4200   0.0000   0.0000  156.434   47.805  ?   ?       ?      ? 
1 1 1   25   10   25 o  688.102   47.071   12.777   1.6388   13.295   2.1652   12.082   2.5077  707.340   59.538  668.863   72.924 38.47699 94.14156 
1 1 1   25   10   27 o  356.014   52.756   3.5013   0.9247   3.1374   1.2040   4.0248   1.4441  334.243   72.174  377.786   76.965 -43.54352 105.5116 
1 1 1   25   10   29 o  435.626   48.496   5.1427   1.0816   4.9220   1.4534   5.4167   1.6193  425.970   66.365  445.281   70.732 -19.31110 96.99117 
1 1 1   25   10   31 o  359.779   35.764   2.8785   0.5582   2.4588   0.6217   4.6235   1.2678  305.866   39.537  413.691   59.607 -107.8256 71.52773 
1 1 1   25   10   33 o  541.407   37.367   7.3613   0.8626   6.9774   0.9678   8.8437   1.9019  515.457   36.521  567.357   65.203 -51.90082 74.73444 
1 1 1   25   10   35 o  630.984   39.772   10.506   1.1816   10.058   1.4015   11.609   2.1974  614.766   44.342  647.203   66.039 -32.43732 79.54464 
1 1 1   25   10   37 o  325.301   37.598   2.7962   0.6288   2.7962   0.6288   0.0000   0.0000  325.301   37.598  ?   ?       ?      ? 
1 1 1   25   10   39 o  435.493   43.872   5.4505   0.8730   5.6569   1.0605   5.0167   1.5378  458.875   44.950  412.112   75.356 46.76288 87.74399 
1 1 1   25   10   41 o  263.437   41.704   2.1374   0.4950   2.3050   0.5683   1.6110   1.0073  294.138   37.581  232.737   74.462 61.40080 83.40858 
1 1 1   25   10   43 o  277.271   42.023   2.9357   0.5673   3.6057   0.6454   0.6597   1.1895  368.156   34.098  186.385   76.818 181.7710 84.04533 
1 1 1   25   10   45 o  245.249   40.743   1.7683   0.4531   1.7879   0.5175   1.7037   0.9379  256.888   39.181  233.609   71.447 23.27899 81.48502 
1 1 1   25   10   47 o  255.147   52.722   1.9174   0.6687   1.9174   0.6687   0.0000   0.0000  255.147   52.722  ?   ?       ?      ? 
1 1 1   25   11    0 o  601.937   51.291   9.5549   1.5608   0.0000   0.0000   9.5549   1.5608  601.937   51.291  601.937   51.291 -0.000000 0.000000 
1 1 1   25   11    2 o  616.186   33.753   9.6886   1.0608   11.074   1.6295   8.6699   1.3974  653.763   48.479  578.609   46.976 75.15350 67.50560 
1 1 1   25   11    4 o  427.266   44.714   4.8174   0.8452   4.8469   1.6251   4.8065   0.9896  423.603   77.474  430.930   44.667 -7.326996 89.42856 
1 1 1   25   11    6 o  483.962   44.881   5.9985   1.0903   6.6089   1.7764   5.6296   1.3809  502.755   68.726  465.169   57.741 37.58572 89.76291 
1 1 1   25   11    8 o  1265.68   40.265   41.531   2.4171   42.128   4.3707   41.268   2.9011  1269.20   66.981  1262.15   44.708 7.048828 80.53076 
1 1 1   25   11   10 o  943.667   33.156   23.166   1.6020   22.292   2.3477   23.927   2.1915  926.524   49.285  960.810   44.364 -34.28619 66.31131 
1 1 1   25   11   12 o  812.370   45.648   17.346   1.6860   17.413   1.9729   17.165   3.2461  818.902   46.861  805.839   78.352 13.06287 91.29560 
1 1 1   25   11   14 o  727.581   51.718   14.464   1.8515   16.202   2.3988   11.902   2.9120  786.871   59.296  668.291   84.752 118.5802 103.4353 
1 1 1   25   11   16 o  243.757   46.692   0.9403   0.5039   0.5398   0.5496   3.0535   1.2626  154.495   54.979  333.020   75.485 -178.5256 93.38475 
1 1 1   25   11   18 o  474.457   45.716   5.7023   0.9284   5.5177   1.0468   6.3825   2.0098  460.452   44.219  488.462   80.029 -28.01062 91.43239 
1 1 1   25   11   20 o  375.812   89.131   3.9768   1.6961   0.0000   0.0000   3.9768   1.6961  ?   ?   375.812   89.131      ?      ? 
1 1 1   25   11   22 o  538.764   61.457   7.6888   1.7023   7.6888   1.7023   0.0000   0.0000  538.764   61.457  ?   ?       ?      ? 
1 1 1   25   11   24 o  223.989   44.775   1.4527   0.5000   1.6016   0.5645   0.9108   1.0771  243.270   46.834  204.708   76.326 38.56302 89.54970 
1 1 1   25   11   26 o  511.921   41.673   7.0338   0.9687   7.0970   1.1356   6.8648   1.8563  520.523   42.435  503.318   71.735 17.20544 83.34593 
1 1 1   25   11   28 o  237.407   40.296   1.1507   0.3898   0.9163   0.4251   2.3889   0.9770  183.005   45.398  291.808   66.590 -108.8027 80.59270 
1 1 1   25   11   30 o  848.972   34.595   18.834   1.5100   18.834   1.5100   0.0000   0.0000  848.972   34.595  ?   ?       ?      ? 
1 1 1   25   11   32 o  312.024   45.550   3.0547   0.5762   3.2924   0.6442   2.1038   1.2886  354.436   35.351  269.612   83.961 84.82327 91.10007 
1 1 1   25   11   34 o  201.663   38.586   1.3337   0.4076   1.5774   0.4433   0.0000   1.0370  245.097   35.181  158.229   68.686 86.86760 77.17200 
1 1 1   25   11   36 o  190.938   52.509   1.0184   0.5315   1.0184   0.5315   0.0000   0.0000  190.938   52.509  ?   ?       ?      ? 
1 1 1   25   11   38 o  406.759   42.090   4.3676   0.6909   4.1908   0.7720   5.0795   1.5491  397.763   37.748  415.755   75.242 -17.99173 84.17970 
1 1 1   25   11   40 o  384.919   37.129   3.6764   0.6318   3.3356   0.7153   4.8863   1.3478  353.585   39.346  416.252   62.977 -62.66690 74.25784 
1 1 1   25   11   42 o  564.167   49.718   10.786   1.0400   12.115   1.1970   6.6920   2.1004  675.205   34.482  453.129   93.266 222.0760 99.43655 
1 1 1   25   11   44 o  180.651   39.348   0.7637   0.3451   0.6037   0.3881   1.3677   0.7540  147.699   46.092  213.603   63.785 -65.90379 78.69540 
1 1 1   25   11   46 o  332.586   50.461   3.3418   0.8735   1.9372   1.1455   5.2941   1.3504  242.156   79.558  423.016   62.094 -180.8604 100.9213 
1 1 1   25   12    1 o  1766.08   32.991   79.905   2.9767   88.980   4.5307   73.013   3.9486  1853.07   47.556  1679.09   45.740 173.9816 65.98260 
1 1 1   25   12    3 o  664.516   51.615   11.572   1.7629   11.620   2.4664   11.522   2.5207  666.097   72.019  662.935   73.958 3.162415 103.2304 
1 1 1   25   12    5 o  1087.90   71.273   31.005   3.9864   31.005   3.9864   0.0000   0.0000  1087.90   71.273  ?   ?       ?      ? 
1 1 1   25   12    7 o  650.101   52.399   11.054   1.7467   10.470   2.3676   11.751   2.5875  631.574   72.915  668.628   75.272 -37.05383 104.7975 
1 1 1   25   12    9 o  1108.64   50.362   32.152   2.8487   31.294   3.7807   33.279   4.3329  1092.85   67.288  1124.43   74.950 -31.58350 100.7238 
1 1 1   25   12   11 o  947.677   47.451   24.534   2.0390   25.782   2.4144   21.431   3.8072  996.343   47.133  899.011   82.370 97.33276 94.90192 
1 1 1   25   12   13 o  1075.18   43.282   29.369   2.1451   28.267   2.5061   32.386   4.1486  1042.83   46.743  1107.52   72.858 -64.68811 86.56332 
1 1 1   25   12   15 o  1224.49   43.524   39.827   2.3100   40.243   2.6451   38.488   4.7418  1245.20   41.318  1203.79   76.616 41.40869 87.04705 
1 1 1   25   12   17 o  1066.85   40.028   28.496   1.6591   27.811   1.8155   31.970   4.0869  1036.37   34.073  1097.33   72.442 -60.95496 80.05509 
1 1 1   25   12   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   21 o  624.258   42.436   10.160   1.3620   10.160   1.3620   0.0000   0.0000  624.258   42.436  ?   ?       ?      ? 
1 1 1   25   12   23 o  517.270   44.325   7.3821   1.0062   7.6594   1.1685   6.5867   1.9790  541.609   41.964  492.932   78.090 48.67700 88.65099 
1 1 1   25   12   25 o  200.268   40.110   1.1940   0.4098   1.3705   0.4488   0.3094   1.0047  229.211   38.088  171.324   70.602 57.88701 80.22036 
1 1 1   25   12   27 o  279.941   36.485   1.2616   0.4147   0.7907   0.4487   4.0248   1.0868  170.830   48.707  389.052   54.336 -218.2221 72.97081 
1 1 1   25   12   29 o  487.176   43.968   6.3651   0.9549   6.3156   1.1045   6.5116   1.8996  489.432   43.895  484.920   76.196 4.511383 87.93553 
1 1 1   25   12   31 o  651.482   38.398   11.040   1.0342   10.799   1.1551   12.014   2.3223  642.246   34.983  660.718   68.366 -18.47180 76.79617 
1 1 1   25   12   33 o  329.917   44.919   3.1660   0.5877   3.2525   0.6556   2.8118   1.3260  351.830   36.244  308.005   82.203 43.82486 89.83879 
1 1 1   25   12   35 o  242.959   36.325   1.5545   0.4537   1.5545   0.4537   0.0000   0.0000  242.959   36.325  ?   ?       ?      ? 
1 1 1   25   12   37 o  620.415   41.261   10.320   1.1961   9.9497   1.4139   11.250   2.2426  609.522   45.120  631.309   69.096 -21.78644 82.52267 
1 1 1   25   12   39 o  741.590   42.868   15.666   1.4573   16.149   1.7345   14.508   2.6876  775.649   43.494  707.532   73.884 68.11639 85.73544 
1 1 1   25   12   41 o  206.170   42.291   1.1793   0.4418   1.1105   0.5220   1.3532   0.8295  197.367   51.059  214.972   67.432 -17.60527 84.58167 
1 1 1   25   12   43 o  290.291   42.216   2.4487   0.5130   2.4534   0.5780   2.4313   1.1137  302.436   37.174  278.146   75.809 24.29019 84.43279 
1 1 1   25   12   45 o  158.343   39.866   0.6267   0.3514   0.6052   0.3924   0.7140   0.7892  147.382   46.404  169.305   64.837 -21.92342 79.73199 
1 1 1   25   12   47 o  181.842   43.664   0.9537   0.4031   0.9537   0.4031   0.0000   0.0000  181.842   43.664  ?   ?       ?      ? 
1 1 1   25   13    0 o  2348.26   73.516  143.618   8.8559   0.0000   0.0000  143.618   8.8559  2348.26   73.516  2348.26   73.516 -0.000000 0.000000 
1 1 1   25   13    2 o  633.503   41.704   10.111   1.0929   9.8834   1.2186   11.045   2.4705  618.319   38.335  648.687   74.077 -30.36743 83.40807 
1 1 1   25   13    4 o  797.766   40.783   15.679   1.5099   14.601   1.7602   18.684   2.9375  750.576   45.613  844.957   67.620 -94.38123 81.56601 
1 1 1   25   13    6 f  769.178   44.016   15.330   1.7406   15.330   1.7406   0.0000   0.0000  769.178   44.016  ?   ?       ?      ? 
1 1 1   25   13    8 o  684.224   52.941   12.531   1.8289   13.944   2.4668   10.807   2.7256  729.623   65.760  638.825   82.986 90.79822 105.8820 
1 1 1   25   13   10 o  153.017   44.083   0.6207   0.3657   0.6207   0.3657   0.0000   0.0000  153.017   44.083  ?   ?       ?      ? 
1 1 1   25   13   12 o  273.996   44.535   1.8197   0.4790   1.7359   0.5200   2.2886   1.2304  258.847   39.073  289.145   80.042 -30.29810 89.06963 
1 1 1   25   13   14 o  505.577   42.558   6.5815   0.8420   6.5148   0.9261   6.8997   2.0217  501.592   35.912  509.562   77.169 -7.969971 85.11559 
1 1 1   25   13   16 o  599.095   48.433   8.6037   1.4194   6.5112   1.7216   13.045   2.5081  496.300   67.471  701.889   69.502 -205.5889 96.86560 
1 1 1   25   13   18 o  193.087   59.115   0.9857   0.6419   0.9857   0.6419   0.0000   0.0000  193.087   59.115  ?   ?       ?      ? 
1 1 1   25   13   20 o  523.789   40.601   6.0956   0.9547   5.0759   1.0784   9.7908   2.0529  440.514   47.615  607.063   65.776 -166.5493 81.20124 
1 1 1   25   13   22 o  206.285   42.627   0.7404   0.3520   0.5744   0.3755   1.9450   1.0114  147.883   45.206  264.686   72.283 -116.8025 85.25436 
1 1 1   25   13   24 o  626.331   44.260   10.828   1.2225   11.210   1.4223   9.7474   2.3917  654.583   42.263  598.080   77.780 56.50293 88.52094 
1 1 1   25   13   26 o  417.809   46.959   4.9108   0.8473   5.0644   0.9899   4.4898   1.6388  439.108   43.849  396.510   83.053 42.59796 93.91764 
1 1 1   25   13   28 o  685.773   34.677   10.436   1.0036   9.1387   1.1082   16.356   2.3669  591.198   36.460  780.349   58.996 -189.1516 69.35318 
1 1 1   25   13   30 o  249.285   47.524   1.2667   0.5311   0.8901   0.5892   2.8971   1.2260  181.820   56.800  316.749   76.209 -134.9292 95.04768 
1 1 1   25   13   32 o  225.792   43.390   1.3838   0.4181   1.4012   0.4517   1.2800   1.1036  230.747   38.077  220.836   77.981 9.910400 86.78075 
1 1 1   25   13   34 o  168.017   47.213   0.7768   0.4247   0.7768   0.4247   0.0000   0.0000  168.017   47.213  ?   ?       ?      ? 
1 1 1   25   13   36 o  236.826   45.094   1.2311   0.4293   1.0524   0.4633   2.3167   1.1420  194.425   46.895  279.227   77.038 -84.80217 90.18846 
1 1 1   25   13   38 o  278.670   42.623   1.9329   0.4759   1.7847   0.5215   2.6698   1.1632  259.084   39.154  298.257   75.721 -39.17245 85.24520 
1 1 1   25   13   40 o  336.935   37.727   2.2878   0.5338   1.6847   0.5877   5.1351   1.2769  245.064   48.360  428.806   57.919 -183.7415 75.45374 
1 1 1   25   13   42 o  237.934   41.299   1.8426   0.4717   2.0679   0.5348   1.0535   1.0009  277.869   37.438  197.999   73.626 79.86990 82.59725 
1 1 1   25   13   44 o  151.082   37.869   0.5316   0.3021   0.4914   0.3325   0.7208   0.7221  134.368   42.763  167.795   62.510 -33.42723 75.73785 
1 1 1   25   13   46 o  153.293   49.299   0.6646   0.4411   0.6646   0.4411   0.0000   0.0000  153.293   49.299  ?   ?       ?      ? 
1 1 1   25   14    1 o  761.529   53.222   15.266   2.0742   13.463   2.9019   17.150   2.9659  714.634   78.982  808.424   71.360 -93.78992 106.4440 
1 1 1   25   14    3 f  664.663   44.661   11.624   1.3201   11.707   1.5277   11.382   2.6225  672.106   44.212  657.220   77.614 14.88666 89.32291 
1 1 1   25   14    5 o  362.036   47.020   3.4165   0.7450   3.3341   0.8590   3.6666   1.4965  358.467   46.610  365.604   81.676 -7.137146 94.03938 
1 1 1   25   14    7 o  1443.61   43.501   54.032   3.2287   54.032   3.2287   0.0000   0.0000  1443.61   43.501  ?   ?       ?      ? 
1 1 1   25   14    9 o  308.207   57.363   2.5075   0.9123   2.0281   1.1726   3.2427   1.4521  273.567   78.973  342.847   83.219 -69.27997 114.7266 
1 1 1   25   14   11 o  1388.74   42.407   48.483   2.6110   46.605   2.9848   54.603   5.3889  1339.91   43.328  1437.58   72.912 -97.67090 84.81425 
1 1 1   25   14   13 o  265.692   52.443   1.8609   0.6882   1.7968   0.8079   2.0305   1.3136  256.579   61.948  274.805   84.638 -18.22519 104.8862 
1 1 1   25   14   15 o  410.145   59.352   4.4191   1.2515   4.4191   1.2515   0.0000   0.0000  410.145   59.352  ?   ?       ?      ? 
1 1 1   25   14   17 o  230.824   51.423   1.4477   0.5946   1.4477   0.5946   0.0000   0.0000  230.824   51.423  ?   ?       ?      ? 
1 1 1   25   14   19 o  261.009   45.786   2.3496   0.6121   2.8386   0.6728   0.0000   1.4747  330.325   39.616  191.692   82.560 138.6330 91.57299 
1 1 1   25   14   21 o  442.587   41.952   4.8324   0.7113   4.6638   0.7741   5.7475   1.8035  423.648   35.539  461.526   76.007 -37.87778 83.90464 
1 1 1   25   14   23 o  387.097   47.035   3.8992   0.6522   3.8195   0.7060   4.3628   1.7036  383.079   35.846  391.115   86.973 -8.035248 94.07065 
1 1 1   25   14   25 o  340.878   47.083   3.4951   0.6140   3.6725   0.6785   2.6927   1.4431  375.423   35.154  306.332   87.359 69.09152 94.16697 
1 1 1   25   14   27 o  200.721   44.856   0.9718   0.4525   0.8697   0.5132   1.3291   0.9598  179.032   52.405  222.409   72.813 -43.37692 89.71101 
1 1 1   25   14   29 o  185.706   41.861   1.0036   0.4331   1.1950   0.4726   0.0000   1.0823  208.761   45.330  162.651   70.388 46.11020 83.72157 
1 1 1   25   14   31 o  413.236   45.225   4.5557   0.6869   4.4680   0.7501   5.0112   1.7094  412.808   35.344  413.664   83.260 -0.8561096 90.45083 
1 1 1   25   14   33 o  250.201   46.691   1.7190   0.5785   1.7190   0.5785   0.0000   0.0000  250.201   46.691  ?   ?       ?      ? 
1 1 1   25   14   35 o  562.969   36.293   7.4256   0.8731   6.6271   0.9712   10.788   1.9929  500.911   37.713  625.027   62.019 -124.1155 72.58574 
1 1 1   25   14   37 o  488.263   48.690   7.2187   1.0160   7.7779   1.2048   5.8418   1.8906  539.185   43.462  437.341   87.143 101.8443 97.37947 
1 1 1   25   14   39 o  171.680   43.630   0.6296   0.3965   0.5435   0.4362   1.0389   0.9513  144.906   49.127  198.453   72.116 -53.54752 87.25923 
1 1 1   25   14   41 o  307.572   46.666   3.1360   0.5872   3.3728   0.6527   2.1312   1.3445  355.822   35.681  259.323   86.243 96.49902 93.33236 
1 1 1   25   14   43 o  153.666   37.027   0.6715   0.3184   0.7759   0.3423   0.0000   0.8680  166.138   40.450  141.193   62.031 24.94478 74.05447 
1 1 1   25   14   45 o  143.240   48.532   0.5556   0.4257   0.5556   0.4257   0.0000   0.0000  143.240   48.532  ?   ?       ?      ? 
1 1 1   25   15    0 f   83.278   56.157  -0.3121   0.6956   0.0000   0.0000  -0.3121   0.6956   83.278   56.157   83.278   56.157 -0.000000 0.000000 
1 1 1   25   15    2 o  1147.65   52.695   34.639   3.1052   32.267   4.3094   37.201   4.4782  1106.38   75.761  1188.91   73.263 -82.53235 105.3905 
1 1 1   25   15    4 f  875.313   41.596   19.037   1.6640   17.976   1.9264   22.156   3.3027  832.416   45.013  918.211   69.962 -85.79590 83.19161 
1 1 1   25   15    6 o  353.407   46.273   3.2432   0.8408   3.2432   0.8408   0.0000   0.0000  353.407   46.273  ?   ?       ?      ? 
1 1 1   25   15    8 o  322.703   47.393   2.5505   0.6609   2.3506   0.7462   3.2779   1.4233  300.640   48.278  344.765   81.569 -44.12534 94.78556 
1 1 1   25   15   10 o  218.822   49.015   1.2567   0.5824   1.3423   0.6792   1.0188   1.1324  222.475   58.573  215.169   78.608 7.306137 98.03019 
1 1 1   25   15   12 o  655.943   47.275   10.954   1.5399   9.9318   1.9080   12.862   2.6078  615.131   60.332  696.755   72.799 -81.62329 94.55017 
1 1 1   25   15   14 o  200.042   46.646   1.0838   0.4709   1.0838   0.4709   0.0000   0.0000  200.042   46.646  ?   ?       ?      ? 
1 1 1   25   15   16 o  668.968   34.016   11.596   1.1699   11.596   1.1699   0.0000   0.0000  668.968   34.016  ?   ?       ?      ? 
1 1 1   25   15   18 o  554.773   41.126   7.5026   0.8678   7.2225   0.9420   9.0733   2.2307  527.641   34.726  581.906   74.563 -54.26459 82.25293 
1 1 1   25   15   20 o  251.464   48.501   1.2455   0.5172   0.9549   0.5640   2.7808   1.2964  188.380   54.883  314.548   79.984 -126.1685 97.00272 
1 1 1   25   15   22 o  572.610   38.144   7.1791   0.8597   6.4757   0.9318   11.206   2.2294  498.761   36.336  646.460   67.079 -147.6990 76.28831 
1 1 1   25   15   24 o  454.064   46.708   5.6591   0.7614   5.6787   0.8312   5.5572   1.8977  466.987   34.619  441.141   86.764 25.84625 93.41545 
1 1 1   25   15   26 o  550.046   44.521   8.2166   1.0810   8.2831   1.2495   8.0186   2.1555  561.228   43.305  538.864   77.803 22.36383 89.04285 
1 1 1   25   15   28 o  281.752   41.283   1.8490   0.4549   1.6812   0.4953   2.7540   1.1503  253.201   38.049  310.304   73.276 -57.10333 82.56567 
1 1 1   25   15   30 o  253.211   46.765   1.6699   0.5209   1.5733   0.5806   2.0684   1.1788  238.980   48.903  267.441   79.726 -28.46086 93.52975 
1 1 1   25   15   32 o  500.172   43.076   6.6368   1.1077   6.6368   1.1077   0.0000   0.0000  500.172   43.076  ?   ?       ?      ? 
1 1 1   25   15   34 o  341.877   39.045   2.4868   0.5435   2.1163   0.5918   4.4840   1.3742  282.544   40.741  401.211   66.620 -118.6664 78.09010 
1 1 1   25   15   36 o  488.922   40.859   6.3248   0.8186   6.1621   0.9120   7.0001   1.8576  482.842   36.738  495.003   72.994 -12.16101 81.71738 
1 1 1   25   15   38 o  244.232   43.820   1.3146   0.4185   1.1256   0.4508   2.4965   1.1271  200.896   44.784  287.569   75.334 -86.67332 87.64033 
1 1 1   25   15   40 o  328.119   47.849   3.1096   0.6132   3.0838   0.6744   3.2328   1.4733  339.500   38.637  316.738   87.553 22.76184 95.69864 
1 1 1   25   15   42 o  535.590   36.954   7.6931   1.0176   7.6931   1.0176   0.0000   0.0000  535.590   36.954  ?   ?       ?      ? 
1 1 1   25   15   44 o  159.218   49.495   0.7187   0.4480   0.7187   0.4480   0.0000   0.0000  159.218   49.495  ?   ?       ?      ? 
1 1 1   25   15   46 o  345.552   46.066   3.5627   0.6529   3.4788   0.7349   3.8766   1.4220  355.445   40.216  335.659   82.891 19.78674 92.13160 
1 1 1   25   16    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   11 o  1658.53   45.452   71.574   3.8757   71.574   3.8757   0.0000   0.0000  1658.53   45.452  ?   ?       ?      ? 
1 1 1   25   16   13 o  875.374   35.435   19.856   1.5947   19.856   1.5947   0.0000   0.0000  875.374   35.435  ?   ?       ?      ? 
1 1 1   25   16   15 o  705.905   46.629   14.073   1.1984   14.493   1.3103   11.925   2.9633  747.850   34.080  663.960   86.809 83.88977 93.25858 
1 1 1   25   16   17 o  493.371   46.439   6.0697   0.9643   5.7939   1.0775   7.1789   2.1611  471.206   44.479  515.537   81.535 -44.33139 92.87753 
1 1 1   25   16   19 o  422.063   43.576   3.7108   0.7809   3.0554   0.8601   6.7856   1.8629  341.298   49.015  502.827   72.062 -161.5296 87.15141 
1 1 1   25   16   21 o  723.063   44.573   13.710   1.3850   13.516   1.5717   14.385   2.9292  718.965   42.521  727.161   78.351 -8.195374 89.14567 
1 1 1   25   16   23 o  829.826   40.946   17.482   1.3109   17.055   1.4328   19.679   3.2479  809.412   34.432  850.240   74.301 -40.82739 81.89108 
1 1 1   25   16   25 o  1005.42   41.002   26.399   1.6059   26.059   1.7650   28.035   3.8711  999.769   34.338  1011.08   74.470 -11.30981 82.00484 
1 1 1   25   16   27 o  742.483   42.104   14.221   1.4174   13.539   1.6384   16.250   2.8258  716.158   44.499  768.807   71.490 -52.64856 84.20853 
1 1 1   25   16   29 o  368.363   40.598   3.0636   0.6763   2.3660   0.7726   5.3491   1.3984  293.107   53.230  443.620   61.312 -150.5126 81.19512 
1 1 1   25   16   31 o  384.721   43.140   3.9245   0.8533   3.9245   0.8533   0.0000   0.0000  384.721   43.140  ?   ?       ?      ? 
1 1 1   25   16   33 o  192.392   43.799   0.9629   0.3619   0.9884   0.3803   0.7192   1.1771  189.901   40.202  194.883   77.827 -4.981598 87.59733 
1 1 1   25   16   35 o  318.287   44.520   3.0571   0.5726   3.2003   0.6426   2.5054   1.2614  348.306   35.886  288.268   81.488 60.03778 89.03949 
1 1 1   25   16   37 o  525.558   48.164   8.3142   1.0884   8.8904   1.2915   6.9019   2.0219  575.664   43.636  475.453   85.877 100.2111 96.32748 
1 1 1   25   16   39 o  204.958   44.890   1.2520   0.4646   1.3498   0.5070   0.7401   1.1602  219.349   46.410  190.568   76.855 28.78098 89.78094 
1 1 1   25   16   41 o  220.914   44.928   1.3368   0.4182   1.3098   0.4490   1.5137   1.1487  216.864   41.790  224.965   79.546 -8.100464 89.85530 
1 1 1   25   16   43 o  255.001   50.062   1.8678   0.6329   1.8678   0.6329   0.0000   0.0000  255.001   50.062  ?   ?       ?      ? 
1 1 1   25   16   45 o  250.113   45.623   2.0455   0.5026   2.1331   0.5466   1.5670   1.2779  279.755   38.004  220.470   82.954 59.28485 91.24526 
1 1 1   25   17    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17    4 o  826.130   46.530   17.217   1.9139   15.233   2.3755   20.887   3.2309  762.461   60.600  889.799   70.625 -127.3375 93.06073 
1 1 1   25   17    6 o  124.641   53.146   0.0000   0.6000   0.0000   0.0000   0.0000   0.6000  ?   ?   124.641   53.146      ?      ? 
1 1 1   25   17    8 o  272.334   75.921   2.0284   1.1029   2.0284   1.1029   0.0000   0.0000  272.334   75.921  ?   ?       ?      ? 
1 1 1   25   17   10 o  1035.34   67.794   28.325   3.6086   28.325   3.6086   0.0000   0.0000  1035.34   67.794  ?   ?       ?      ? 
1 1 1   25   17   12 o  348.078   52.499   4.2156   0.8815   5.3126   1.0253   1.1058   1.7262  451.750   44.144  244.405   95.268 207.3450 104.9985 
1 1 1   25   17   14 o  368.228   51.932   4.0589   0.8100   4.3958   0.9271   2.9719   1.6650  410.747   43.900  325.709   94.129 85.03748 103.8630 
1 1 1   25   17   16 o  294.765   48.484   2.1163   0.6151   1.8990   0.6899   2.9593   1.3588  264.581   52.570  324.949   81.481 -60.36829 96.96741 
1 1 1   25   17   18 o  1005.65   41.621   23.837   1.8256   21.541   2.0503   32.621   4.0111  908.000   43.920  1103.30   70.713 -195.3002 83.24201 
1 1 1   25   17   20 o  757.126   47.293   16.088   1.4922   16.693   1.6981   14.036   3.1271  799.398   41.316  714.855   85.086 84.54303 94.58652 
1 1 1   25   17   22 o  397.975   53.795   4.3472   0.8406   4.3209   0.9305   4.4641   1.9610  405.733   44.605  390.217   97.909 15.51654 107.5906 
1 1 1   25   17   24 o  403.331   50.029   4.3230   0.8142   4.2018   0.9095   4.8124   1.8272  399.663   44.264  406.998   89.735 -7.335144 100.0580 
1 1 1   25   17   26 o  882.700   44.696   21.593   1.7124   22.088   1.9729   20.081   3.4477  916.268   41.881  849.131   78.974 67.13660 89.39180 
1 1 1   25   17   28 o  607.694   41.051   9.2721   1.1432   8.4964   1.3205   11.593   2.2840  566.243   45.358  649.144   68.435 -82.90125 82.10154 
1 1 1   25   17   30 o  718.073   60.455   14.060   2.2319   14.060   2.2319   0.0000   0.0000  718.073   60.455  ?   ?       ?      ? 
1 1 1   25   17   32 o  191.536   43.417   0.8710   0.3586   0.8387   0.3820   1.1110   1.0408  174.378   42.906  208.694   75.494 -34.31654 86.83463 
1 1 1   25   17   34 o  237.662   40.121   1.9937   0.4745   2.3826   0.5284   0.3730   1.0787  300.975   34.147  174.349   72.614 126.6262 80.24206 
1 1 1   25   17   36 o  155.106   36.025   0.6762   0.3449   0.8744   0.3922   0.0000   0.7244  177.372   43.368  132.841   57.536 44.53096 72.04962 
1 1 1   25   17   38 o  275.950   49.057   2.0885   0.7529   0.9170   0.9808   3.7692   1.1748  192.366   72.610  359.534   65.985 -167.1682 98.11326 
1 1 1   25   17   40 o  184.751   51.228   0.9753   0.5035   0.9753   0.5035   0.0000   0.0000  184.751   51.228  ?   ?       ?      ? 
1 1 1   25   17   42 o  297.804   51.228   2.9335   0.8447   3.8979   1.1036   1.5692   1.3126  368.801   58.204  226.807   84.319 141.9938 102.4566 
1 1 1   25   17   44 o  158.270   40.057   0.7033   0.4050   0.8658   0.4493   0.0000   0.9350  172.760   48.562  143.779   63.717 28.98184 80.11308 
1 1 1   25   18    1 o  1257.57   53.228   41.975   3.4361   44.372   4.8430   39.545   4.8759  1295.03   72.739  1220.12   77.729 74.91406 106.4557 
1 1 1   25   18    3 o  795.871   53.980   16.787   2.2064   16.247   3.0352   17.391   3.2129  782.636   75.432  809.106   77.237 -26.46967 107.9607 
1 1 1   25   18    5 o  724.602   40.615   12.076   1.3715   10.088   1.5849   18.007   2.7371  622.060   49.556  827.143   64.363 -205.0826 81.23006 
1 1 1   25   18    7 o  211.962   52.633   1.2197   0.5709   1.2197   0.5709   0.0000   0.0000  211.962   52.633  ?   ?       ?      ? 
1 1 1   25   18    9 o  840.081   79.043   18.854   3.4139   0.0000   0.0000   18.854   3.4139  ?   ?   840.081   79.043      ?      ? 
1 1 1   25   18   11 o  282.946   46.914   1.8329   0.5762   1.5319   0.6466   2.9943   1.2702  237.217   54.202  328.675   76.588 -91.45842 93.82752 
1 1 1   25   18   13 o  299.967   38.113   1.6553   0.4510   1.3066   0.4860   3.8116   1.2088  220.064   44.489  379.869   61.895 -159.8049 76.22520 
1 1 1   25   18   15 o  806.612   44.024   17.207   1.3109   17.198   1.4256   17.255   3.3353  814.260   34.055  798.963   81.196 15.29663 88.04875 
1 1 1   25   18   17 o  593.315   41.421   8.2894   1.0867   7.4245   1.2266   11.445   2.3427  532.861   44.774  653.770   69.699 -120.9089 82.84157 
1 1 1   25   18   19 o  436.856   53.281   5.4064   0.9241   5.5178   1.0375   4.9789   2.0328  459.112   43.956  414.600   97.075 44.51215 106.5629 
1 1 1   25   18   21 o  697.342   44.639   12.840   1.3320   12.690   1.5104   13.366   2.8257  696.079   42.204  698.605   78.672 -2.525940 89.27713 
1 1 1   25   18   23 f  173.707   41.627   0.8028   0.3732   0.9065   0.3966   0.0000   1.1037  182.250   43.019  165.164   71.279 17.08640 83.25422 
1 1 1   25   18   25 o  653.830   50.684   12.727   1.3409   13.548   1.5264   9.9539   2.8062  717.894   41.355  589.765   92.549 128.1290 101.3682 
1 1 1   25   18   27 o  322.648   86.808   3.0777   1.4716   0.0000   0.0000   3.0777   1.4716  ?   ?   322.648   86.808      ?      ? 
1 1 1   25   18   29 o  453.431   43.622   5.4498   1.0169   5.4498   1.0169   0.0000   0.0000  453.431   43.622  ?   ?       ?      ? 
1 1 1   25   18   31 o  348.513   48.444   3.4327   0.7262   3.4293   0.8311   3.4434   1.4938  358.787   45.054  338.240   85.776 20.54694 96.88856 
1 1 1   25   18   33 o  289.119   42.385   2.0831   0.5462   1.7667   0.6277   3.0705   1.1087  252.107   50.193  326.132   68.314 -74.02457 84.77094 
1 1 1   25   18   35 o  378.959   42.901   3.7837   0.7352   3.4722   0.8584   4.6408   1.4240  359.208   46.480  398.709   72.121 -39.50116 85.80161 
1 1 1   25   18   37 o  488.858   49.809   6.7839   1.2412   5.7904   1.6473   8.0884   1.8877  447.189   71.651  530.528   69.208 -83.33884 99.61748 
1 1 1   25   18   39 o  288.289   45.457   2.9950   0.6976   3.9031   0.8284   0.7820   1.2932  380.129   42.388  196.449   80.428 183.6795 90.91411 
1 1 1   25   18   41 o  361.077   55.928   4.0009   0.9865   3.5387   1.2461   4.7769   1.6146  337.656   73.836  384.497   84.023 -46.84073 111.8558 
1 1 1   25   18   43 o  192.877   43.997   1.1791   0.4953   1.3742   0.5543   0.4066   1.1030  217.086   50.597  168.668   71.992 48.41843 87.99373 
1 1 1   25   18   45 o  313.130   48.655   2.6291   0.6881   2.0244   0.7910   4.5110   1.3954  255.811   60.999  370.449   75.819 -114.6377 97.31049 
1 1 1   25   19    0 o  660.041   80.443   11.887   2.6215   11.887   2.6215   0.0000   0.0000  660.041   80.443  660.041   80.443 0.000000 0.000000 
1 1 1   25   19    2 o  275.724   55.704   2.0753   0.8341   2.3682   1.1806   1.7834   1.1786  293.069   77.258  258.378   80.269 34.69144 111.4085 
1 1 1   25   19    4 o  651.169   45.960   10.821   1.4297   10.246   1.7092   12.162   2.6089  625.976   53.110  676.361   75.025 -50.38507 91.92078 
1 1 1   25   19    6 o  530.739   45.614   7.4066   1.0969   7.3809   1.2794   7.4780   2.1316  532.205   46.757  529.273   78.334 2.931763 91.22710 
1 1 1   25   19    8 o  873.892   46.958   20.803   1.7586   21.346   2.0139   19.057   3.6091  905.728   43.248  842.056   83.366 63.67188 93.91604 
1 1 1   25   19   10 o  274.893   56.674   1.8743   0.8597   1.1715   1.0907   3.0274   1.3971  220.535   77.560  329.251   82.656 -108.7164 113.3473 
1 1 1   25   19   12 o  235.788   44.435   1.5403   0.4579   1.6087   0.4982   1.1679   1.1622  248.771   38.952  222.806   79.878 25.96504 88.86946 
1 1 1   25   19   14 o  311.298   43.305   2.2872   0.5058   2.1403   0.5472   3.1490   1.3257  286.980   37.088  335.617   78.267 -48.63675 86.60987 
1 1 1   25   19   16 o  192.958   43.956   0.7909   0.3410   0.7470   0.3594   1.1871   1.0803  166.025   42.057  219.891   77.199 -53.86589 87.91148 
1 1 1   25   19   18 f  301.972   50.335   2.9869   0.7417   3.5496   0.8494   1.1804   1.5220  368.065   44.889  235.878   90.108 132.1864 100.6702 
1 1 1   25   19   20 o  451.746   45.023   4.6041   0.8534   4.0581   0.9413   7.1251   2.0228  392.829   46.608  510.663   77.044 -117.8347 90.04552 
1 1 1   25   19   22 o  226.237   46.857   1.2429   0.4373   1.1937   0.4682   1.5788   1.2233  209.208   44.879  243.267   82.270 -34.05920 93.71471 
1 1 1   25   19   24 o  503.958   39.220   5.4269   0.7684   4.8173   0.8288   9.1539   2.0494  428.934   37.584  578.982   68.849 -150.0489 78.43924 
1 1 1   25   19   26 o  430.582   50.726   4.9881   0.8588   4.8591   0.9535   5.5424   1.9764  428.940   43.236  432.225   91.777 -3.285431 101.4514 
1 1 1   25   19   28 o  332.076   47.362   2.9376   0.8086   2.9376   0.8086   0.0000   0.0000  332.076   47.362  ?   ?       ?      ? 
1 1 1   25   19   30 o  634.672   41.191   10.157   1.1886   9.2955   1.3668   12.830   2.4073  590.857   44.994  678.487   69.010 -87.63068 82.38248 
1 1 1   25   19   32 o  251.984   45.074   1.9960   0.4916   2.1401   0.5336   1.1887   1.2630  284.929   36.428  219.038   82.459 65.89114 90.14725 
1 1 1   25   19   34 o  303.873   45.484   2.7468   0.5688   2.8363   0.6355   2.3866   1.2751  327.251   37.774  280.494   82.753 46.75735 90.96706 
1 1 1   25   19   36 o  562.576   39.515   8.2506   0.9189   7.9204   1.0234   9.6231   2.0866  546.460   36.427  578.692   70.134 -32.23181 79.03033 
1 1 1   25   19   38 o  295.438   46.382   2.3579   0.6301   2.0466   0.7380   3.1954   1.2105  267.010   55.566  323.866   74.280 -56.85596 92.76327 
1 1 1   25   19   40 o  133.126   37.478   0.3073   0.3932   0.4915   0.4972   0.0000   0.6423  142.383   52.074  123.868   53.914 18.51508 74.95611 
1 1 1   25   19   42 o  222.141   43.344   1.3937   0.4773   1.3937   0.4773   0.0000   0.0000  222.141   43.344  ?   ?       ?      ? 
1 1 1   25   19   44 o  228.795   46.217   1.5540   0.4546   1.5333   0.4889   1.6860   1.2345  232.474   42.472  225.116   82.100 7.358093 92.43494 
1 1 1   25   20    1 o  1016.55   53.583   27.530   2.8000   27.123   3.9178   27.954   4.0032  1009.00   75.523  1024.11   76.030 -15.11279 107.1652 
1 1 1   25   20    3 o  466.922   58.968   5.9842   1.3687   7.2136   1.9499   4.7903   1.9216  520.897   72.812  412.946   92.775 107.9504 117.9355 
1 1 1   25   20    5 o  310.908   50.889   2.7612   0.7411   2.9623   0.8648   2.2055   1.4378  336.694   49.960  285.122   88.671 51.57181 101.7774 
1 1 1   25   20    7 o  368.024   51.168   3.8619   0.8041   4.0384   0.9217   3.2996   1.6453  393.563   45.551  342.485   91.639 51.07736 102.3352 
1 1 1   25   20    9 o  1106.49   53.258   32.939   3.0053   34.604   4.0734   30.951   4.4521  1140.58   69.464  1072.40   80.749 68.17908 106.5163 
1 1 1   25   20   11 o  554.410   47.490   8.3250   1.1262   8.4587   1.2856   7.8837   2.3354  569.451   43.912  539.370   84.219 30.08142 94.97961 
1 1 1   25   20   13 o  208.119   40.817   1.2965   0.4029   1.4455   0.4351   0.4030   1.0656  235.891   35.880  180.346   73.325 55.54562 81.63322 
1 1 1   25   20   15 o  309.813   46.464   2.2153   0.5309   2.0574   0.5700   3.2489   1.4584  280.969   39.459  338.656   84.135 -57.68713 92.92874 
1 1 1   25   20   17 o  637.241   46.069   10.817   1.0573   10.798   1.1441   10.929   2.7672  644.384   34.535  630.098   85.420 14.28564 92.13744 
1 1 1   25   20   19 o  202.012   50.152   0.9752   0.5329   1.0059   0.5809   0.8119   1.3392  192.398   55.596  211.625   83.487 -19.22673 100.3041 
1 1 1   25   20   21 o  438.171   47.694   5.0120   0.7547   4.8951   0.8196   5.6640   1.9352  432.920   36.822  443.423   87.993 -10.50272 95.38713 
1 1 1   25   20   23 o  523.398   41.598   6.3691   0.8261   5.9386   0.8918   8.9737   2.1934  476.521   36.399  570.275   74.810 -93.75458 83.19541 
1 1 1   25   20   25 o  497.888   55.136   7.5021   1.0449   7.8444   1.1718   6.1747   2.3077  545.519   41.782  450.258  102.049 95.26157 110.2710 
1 1 1   25   20   27 o  628.026   35.148   10.340   1.1349   10.340   1.1349   0.0000   0.0000  628.026   35.148  ?   ?       ?      ? 
1 1 1   25   20   29 o  288.027   43.332   1.8277   0.5556   1.2911   0.6300   3.7054   1.1785  214.330   56.405  361.724   65.796 -147.3944 86.66422 
1 1 1   25   20   31 o  447.071   39.290   4.6030   0.7072   4.1549   0.7722   6.9338   1.7611  396.674   37.863  497.468   68.856 -100.7945 78.57980 
1 1 1   25   20   33 o  289.847   37.644   1.1445   0.4190   0.6538   0.4454   4.9242   1.2361  156.025   49.474  423.670   56.751 -267.6458 75.28802 
1 1 1   25   20   35 o  553.295   43.431   8.4815   0.9377   8.4431   1.0360   8.6557   2.2062  564.746   35.680  541.845   79.195 22.90106 86.86130 
1 1 1   25   20   37 o  507.733   50.412   7.9382   1.0857   8.4401   1.2800   6.6509   2.0498  558.380   44.586  457.085   90.429 101.2953 100.8233 
1 1 1   25   20   39 o  371.580   51.645   4.0628   0.9610   3.1136   1.2598   5.3840   1.4863  314.371   78.251  428.788   67.421 -114.4163 103.2895 
1 1 1   25   20   41 o  249.635   38.809   1.6873   0.4981   1.6873   0.4981   0.0000   0.0000  249.635   38.809  ?   ?       ?      ? 
1 1 1   25   20   43 o  295.353   49.728   2.3531   0.5517   2.1942   0.5912   3.4240   1.5346  282.630   40.686  308.076   90.754 -25.44595 99.45632 
1 1 1   25   21    0 o  337.553  100.548   3.6875   1.5189   3.6875   1.5189   0.0000   0.0000  337.553  100.548  337.553  100.548 0.000000 0.000000 
1 1 1   25   21    2 o  212.276   75.048   1.0710   1.0225   1.0710   1.0225   0.0000   0.0000  212.276   75.048  ?   ?       ?      ? 
1 1 1   25   21    4 o  405.558   54.846   4.3173   1.1436   4.3173   1.1436   0.0000   0.0000  405.558   54.846  ?   ?       ?      ? 
1 1 1   25   21    6 o  704.374   45.274   12.789   1.4917   12.323   1.7612   13.974   2.8063  686.206   49.921  722.542   75.543 -36.33636 90.54762 
1 1 1   25   21    8 o  745.161   40.803   12.601   1.4056   10.339   1.6140   19.701   2.8596  628.309   49.964  862.013   64.523 -233.7034 81.60674 
1 1 1   25   21   10 o  395.380   56.560   4.2183   1.1275   3.1598   1.5045   5.5744   1.7030  334.554   86.744  456.206   72.607 -121.6516 113.1209 
1 1 1   25   21   12 o  444.894   41.287   4.6349   0.6669   4.4094   0.7149   6.1459   1.8507  412.182   33.735  477.605   75.368 -65.42343 82.57336 
1 1 1   25   21   14 o  523.147   39.690   6.0750   0.7969   5.5685   0.8600   9.1548   2.1205  462.675   36.153  583.620   70.670 -120.9454 79.38043 
1 1 1   25   21   16 o  412.211   46.638   4.1002   0.6918   3.8832   0.7455   5.4443   1.8553  385.974   37.570  438.449   85.375 -52.47437 93.27551 
1 1 1   25   21   18 o  984.070   42.405   23.852   1.8502   22.057   2.1018   30.034   3.9001  916.477   44.607  1051.66   72.132 -135.1873 84.81058 
1 1 1   25   21   20 o  488.413   56.042   7.1586   1.0488   7.4925   1.1764   5.8650   2.3157  534.064   42.844  442.762  103.572 91.30151 112.0838 
1 1 1   25   21   22 o  378.997   52.617   4.1947   0.6934   4.2638   0.7467   3.7619   1.8698  403.842   35.962  354.152   98.899 49.69009 105.2350 
1 1 1   25   21   24 o  320.323   44.230   2.7127   0.7284   2.7127   0.7284   0.0000   0.0000  320.323   44.230  ?   ?       ?      ? 
1 1 1   25   21   26 o  424.791   35.816   4.7337   0.7822   4.7337   0.7822   0.0000   0.0000  424.791   35.816  ?   ?       ?      ? 
1 1 1   25   21   28 o  224.714   45.468   1.4312   0.4982   1.4767   0.5640   1.2696   1.0631  230.888   49.030  218.540   76.587 12.34741 90.93700 
1 1 1   25   21   30 o  521.671   45.100   7.2484   1.0296   6.9948   1.1742   8.0918   2.1413  512.149   44.595  531.193   78.406 -19.04376 90.20087 
1 1 1   25   21   32 o  555.363   41.036   7.7609   0.9127   7.3542   1.0034   9.7102   2.1967  527.490   37.000  583.236   73.260 -55.74548 82.07297 
1 1 1   25   21   34 o  347.906   46.700   3.5099   0.6274   3.5344   0.6937   3.3998   1.4708  365.114   36.954  330.698   85.779 34.41650 93.39981 
1 1 1   25   21   36 o  428.858   44.487   4.8403   0.7373   4.5987   0.8117   5.9795   1.7627  415.201   38.025  442.515   80.440 -27.31421 88.97480 
1 1 1   25   21   38 o  257.612   50.351   1.9121   0.7207   1.1116   0.9466   3.0164   1.1118  199.881   72.043  315.344   70.360 -115.4626 100.7013 
1 1 1   25   21   40 f  262.686   40.679   1.8746   0.5494   1.8746   0.5494   0.0000   0.0000  262.686   40.679  ?   ?       ?      ? 
1 1 1   25   21   42 o  225.294   42.385   1.4212   0.4211   1.3461   0.4675   1.7442   0.9695  217.654   43.303  232.934   72.874 -15.28029 84.76927 
1 1 1   25   22    1 o  275.511   57.185   2.0890   0.8823   2.5977   1.2193   1.5299   1.2783  305.415   77.517  245.607   84.094 59.80847 114.3709 
1 1 1   25   22    3 o  250.614   49.689   1.4280   0.7905   0.0000   1.0740   3.1166   1.1679  164.859   70.719  336.369   69.820 -171.5098 99.37759 
1 1 1   25   22    5 o  938.323   44.720   21.629   2.0251   18.758   2.4151   28.428   3.7168  844.260   55.641  1032.39   70.026 -188.1259 89.44006 
1 1 1   25   22    7 o  1032.24   44.691   27.417   2.1469   26.320   2.5240   30.286   4.0828  1002.37   48.976  1062.10   74.769 -59.73218 89.38152 
1 1 1   25   22    9 o  750.894   53.552   15.221   2.0509   15.501   2.7512   14.872   3.0768  761.026   70.317  740.762   80.789 20.26392 107.1043 
1 1 1   25   22   11 o  622.462   45.265   9.8851   1.2383   9.4974   1.4107   11.186   2.5846  602.351   45.552  642.573   78.235 -40.22137 90.53028 
1 1 1   25   22   13 o  471.219   54.128   6.8492   0.8497   7.1588   0.9219   5.1017   2.1902  524.839   34.167  417.600  102.722 107.2389 108.2555 
1 1 1   25   22   15 o  762.677   41.994   14.411   1.2145   13.917   1.3188   17.170   3.1157  731.234   35.079  794.120   76.312 -62.88519 83.98881 
1 1 1   25   22   17 o  484.455   40.938   5.3303   0.7568   4.9279   0.8168   7.7729   2.0124  434.639   36.552  534.270   73.263 -99.63055 81.87519 
1 1 1   25   22   19 o  711.504   48.782   14.447   1.4523   15.049   1.6588   12.469   3.0055  756.871   42.630  666.137   87.758 90.73364 97.56451 
1 1 1   25   22   21 o  258.307   51.666   1.6490   0.5360   1.5752   0.5732   2.1624   1.5120  239.909   48.145  276.705   91.430 -36.79573 103.3318 
1 1 1   25   22   23 o  381.812   42.771   3.8475   0.8396   3.8475   0.8396   0.0000   0.0000  381.812   42.771  ?   ?       ?      ? 
1 1 1   25   22   25 o  154.675   45.683   0.0458   0.2471   0.0000   0.2515   1.3068   1.3198   80.552   34.379  228.798   84.652 -148.2465 91.36630 
1 1 1   25   22   27 o  157.204   42.513   0.3760   0.2753   0.3402   0.2851   0.8686   1.0583  117.273   39.719  197.135   75.178 -79.86158 85.02520 
1 1 1   25   22   29 o  195.198   47.708   0.8334   0.4379   0.7593   0.4705   1.3125   1.1971  166.876   50.512  223.519   80.948 -56.64340 95.41523 
1 1 1   25   22   31 o  233.953   41.985   1.8744   0.4673   2.1317   0.5075   0.4406   1.1981  284.497   34.696  183.410   76.468 101.0871 83.97093 
1 1 1   25   22   33 o  225.844   42.681   1.5846   0.4514   1.7240   0.4937   0.8739   1.1148  254.907   37.670  196.781   76.600 58.12607 85.36127 
1 1 1   25   22   35 o  401.251   44.368   3.9663   0.6849   3.6300   0.7477   5.7215   1.7080  368.502   39.464  434.000   79.477 -65.49750 88.73502 
1 1 1   25   22   37 o  166.366   40.413   0.7505   0.3710   0.8155   0.4083   0.4426   0.8887  170.021   45.720  162.712   66.652 7.308975 80.82566 
1 1 1   25   22   39 o  292.998   47.548   2.3737   0.7163   2.3737   0.7163   0.0000   0.0000  292.998   47.548  ?   ?       ?      ? 
1 1 1   25   22   41 o  138.547   35.805   0.4990   0.3077   0.5996   0.3373   0.0000   0.7513  145.837   42.431  131.256   57.686 14.58072 71.61078 
1 1 1   25   22   43 o  132.152   37.255   0.3232   0.2718   0.3063   0.2891   0.4521   0.7982  111.426   39.852  152.878   62.957 -41.45246 74.51035 
1 1 1   25   23    0 o   89.971   58.067   0.0000   0.6250   0.0000   0.0000   0.0000   0.6250   89.971   58.067   89.971   58.067 -0.000000 0.000000 
1 1 1   25   23    2 o  1164.19   54.127   36.439   3.2334   33.460   4.4992   39.622   4.6499  1113.61   78.584  1214.76   74.453 -101.1555 108.2535 
1 1 1   25   23    4 o  138.915   38.298   0.3088   0.3335   0.2852   0.3739   0.4007   0.7372  120.079   44.932  157.751   62.033 -37.67163 76.59621 
1 1 1   25   23    6 o  311.819   50.656   3.2311   0.8302   4.1978   0.9814   0.8000   1.5564  400.291   47.688  223.346   89.388 176.9456 101.3129 
1 1 1   25   23    8 o  268.522   46.129   1.6898   0.5779   1.2911   0.6703   2.8454   1.1410  217.178   58.652  319.866   71.215 -102.6888 92.25837 
1 1 1   25   23   10 o  351.417   50.981   3.1937   0.7643   3.0389   0.8619   3.7636   1.6533  340.038   49.301  362.796   89.249 -22.75873 101.9612 
1 1 1   25   23   12 o  288.389   33.132   2.1609   0.4912   2.1609   0.4912   0.0000   0.0000  288.389   33.132  ?   ?       ?      ? 
1 1 1   25   23   14 o  440.729   48.127   4.8755   0.8934   4.5324   1.0068   6.1461   1.9377  415.084   47.180  466.375   83.898 -51.29053 96.25356 
1 1 1   25   23   16 o  696.135   47.810   13.879   1.1887   14.238   1.2948   11.948   2.9991  739.394   34.060  652.876   89.349 86.51801 95.62038 
1 1 1   25   23   18 o  178.413   40.140   0.9074   0.4261   1.1518   0.4800   0.0000   0.9250  205.046   46.591  151.780   65.378 53.26688 80.28089 
1 1 1   25   23   20 o  262.126   45.950   1.5515   0.4930   1.3359   0.5388   2.6595   1.2217  220.384   48.838  303.867   77.848 -83.48299 91.89960 
1 1 1   25   23   22 o  523.097   35.477   7.1642   0.9541   7.1642   0.9541   0.0000   0.0000  523.097   35.477  ?   ?       ?      ? 
1 1 1   25   23   24 o  344.382   48.182   2.3608   0.5427   2.1018   0.5696   4.9054   1.7854  282.478   39.223  406.286   88.020 -123.8074 96.36401 
1 1 1   25   23   26 o  480.204   43.188   5.4778   0.7738   5.1308   0.8332   7.6519   2.0856  441.630   36.698  518.778   78.193 -77.14743 86.37699 
1 1 1   25   23   28 o  252.736   45.200   2.2271   0.6375   2.7878   0.7133   0.0000   1.4215  323.822   42.843  181.650   79.604 142.1721 90.40039 
1 1 1   25   23   30 f  156.434   40.450   0.5542   0.3336   0.5702   0.3588   0.4523   0.9064  145.349   44.135  167.519   67.799 -22.17046 80.89917 
1 1 1   25   23   32 o  183.667   41.435   0.9485   0.3606   1.0128   0.3835   0.4558   1.0608  191.739   40.187  175.594   72.475 16.14552 82.87090 
1 1 1   25   23   34 o  272.174   45.813   2.4840   0.5609   2.7462   0.6228   1.3569   1.2912  321.136   37.721  223.212   83.502 97.92429 91.62663 
1 1 1   25   23   36 o  170.959   41.786   0.5360   0.3542   0.3764   0.3867   1.3675   0.8825  126.591   45.980  215.328   69.786 -88.73737 83.57139 
1 1 1   25   23   38 o  216.010   52.101   1.3519   0.5719   1.3519   0.5719   0.0000   0.0000  216.010   52.101  ?   ?       ?      ? 
1 1 1   25   23   40 o  197.844   41.063   0.8675   0.3704   0.6482   0.4095   1.8521   0.8679  151.811   47.342  243.878   67.108 -92.06796 82.12603 
1 1 1   25   23   42 o  212.269   42.911   1.3469   0.4252   1.3383   0.4712   1.3844   0.9867  215.980   43.935  208.558   73.723 7.422058 85.82173 
1 1 1   25   24    1 o  245.594   56.239   1.6032   0.8240   1.9514   1.1294   1.2068   1.2050  265.640   77.740  225.548   81.287 40.09239 112.4772 
1 1 1   25   24    3 o  213.337   73.077   1.1444   0.9653   1.1444   0.9653   0.0000   0.0000  213.337   73.077  ?   ?       ?      ? 
1 1 1   25   24    5 o  160.070   52.998   0.6462   0.5080   0.6462   0.5080   0.0000   0.0000  160.070   52.998  ?   ?       ?      ? 
1 1 1   25   24    7 o  397.685   50.353   4.0872   0.9184   3.7616   1.0812   4.9310   1.7404  377.138   55.761  418.232   83.859 -41.09360 100.7062 
1 1 1   25   24    9 f  249.929   53.148   1.7432   0.7527   2.0878   0.9880   1.2666   1.1620  273.460   69.983  226.398   80.008 47.06184 106.2963 
1 1 1   25   24   11 o  251.579   49.220   1.3583   0.5397   1.0931   0.5942   2.6083   1.2899  200.041   55.711  303.117   81.158 -103.0756 98.43913 
1 1 1   25   24   13 o  396.129   47.904   3.8795   0.6186   3.7496   0.6564   4.9104   1.8490  379.592   33.634  412.665   89.711 -33.07297 95.80830 
1 1 1   25   24   15 o  373.214   48.717   3.6861   0.6499   3.6209   0.7022   4.0755   1.7160  372.398   36.678  374.030   90.267 -1.632019 97.43417 
1 1 1   25   24   17 o  380.439   49.741   3.9631   0.7489   3.9298   0.8323   4.1046   1.7159  386.740   41.860  374.139   90.247 12.60062 99.48283 
1 1 1   25   24   19 o  632.617   58.774   10.774   1.9116   10.774   1.9116   0.0000   0.0000  632.617   58.774  ?   ?       ?      ? 
1 1 1   25   24   21 o  315.837   36.173   2.6142   0.5874   2.6142   0.5874   0.0000   0.0000  315.837   36.173  ?   ?       ?      ? 
1 1 1   25   24   23 o  504.087   40.979   6.0932   0.8052   5.7045   0.8760   8.2100   2.0444  466.075   36.560  542.099   73.352 -76.02423 81.95800 
1 1 1   25   24   25 o  212.283   40.602   1.4190   0.4213   1.6013   0.4596   0.4606   1.0540  246.783   36.223  177.782   72.677 69.00032 81.20323 
1 1 1   25   24   27 o  469.465   53.906   6.7452   1.0092   7.0918   1.1497   5.5819   2.1065  516.291   43.314  422.638   98.729 93.65216 107.8125 
1 1 1   25   24   29 o  494.843   54.982   7.4378   1.0804   7.7107   1.2269   6.4957   2.2799  537.077   44.434  452.609  100.587 84.46799 109.9638 
1 1 1   25   24   31 o  255.508   44.831   1.6260   0.4629   1.4929   0.5043   2.3386   1.1666  232.705   43.756  278.310   78.262 -45.60571 89.66290 
1 1 1   25   24   33 o  295.943   48.221   2.8975   0.5790   3.0872   0.6309   1.8862   1.4566  341.083   35.979  250.804   89.478 90.27904 96.44112 
1 1 1   25   24   35 o  174.570   43.124   0.8284   0.4354   0.9154   0.4851   0.4682   0.9871  179.543   50.460  169.596   69.947 9.946793 86.24847 
1 1 1   25   24   37 o  217.736   54.055   1.3804   0.6023   1.3804   0.6023   0.0000   0.0000  217.736   54.055  ?   ?       ?      ? 
1 1 1   25   24   39 o  211.432   45.675   1.4185   0.5291   1.5693   0.6084   0.9505   1.0716  231.795   52.295  191.068   74.899 40.72685 91.34930 
1 1 1   25   24   41 o  227.997   43.092   1.7610   0.4745   1.9160   0.5184   0.9600   1.1784  264.887   38.066  191.106   77.321 73.78064 86.18325 
1 1 1   25   25    0 o  431.626  100.427   5.6697   1.9380   5.6697   1.9380   0.0000   0.0000  431.626  100.427  431.626  100.427 0.000000 0.000000 
1 1 1   25   25    2 o  258.892   57.427   1.8208   0.8536   1.5810   1.1817   2.0825   1.2343  244.263   80.833  273.521   81.592 -29.25760 114.8532 
1 1 1   25   25    4 o  490.535   57.435   6.6327   1.4167   6.1345   1.9503   7.1891   2.0613  467.011   84.332  514.059   77.995 -47.04764 114.8699 
1 1 1   25   25    6 o  409.271   55.829   5.3731   1.0352   6.4923   1.2526   2.9610   1.8388  496.706   49.049  321.836  100.309 174.8709 111.6585 
1 1 1   25   25    8 o  181.244   49.725   0.5730   0.6620   0.3624   0.8819   0.8448   1.0018  165.363   66.895  197.126   73.590 -31.76320 99.45049 
1 1 1   25   25   10 o  516.933   44.492   6.3377   1.0671   5.3867   1.2312   9.2107   2.1398  450.998   53.097  582.869   71.407 -131.8705 88.98429 
1 1 1   25   25   12 o  791.533   40.938   15.240   1.1821   14.656   1.2715   18.955   3.2083  750.474   32.955  832.593   74.950 -82.11932 81.87502 
1 1 1   25   25   14 o  296.108   49.696   2.6740   0.6300   2.8556   0.6960   1.8496   1.4826  329.957   41.028  262.258   90.529 67.69937 99.39204 
1 1 1   25   25   16 o  478.928   41.925   6.0307   1.0323   6.0307   1.0323   0.0000   0.0000  478.928   41.925  ?   ?       ?      ? 
1 1 1   25   25   18 o  288.529   72.880   2.3827   1.0814   2.3827   1.0814   0.0000   0.0000  288.529   72.880  ?   ?       ?      ? 
1 1 1   25   25   20 o  536.122   41.652   6.7856   0.8416   6.3605   0.9081   9.3736   2.2406  492.657   35.853  579.588   75.193 -86.93048 83.30315 
1 1 1   25   25   22 o  417.827   45.187   4.6256   0.6961   4.5177   0.7601   5.1862   1.7327  414.943   35.631  420.711   83.053 -5.767517 90.37334 
1 1 1   25   25   24 o  704.903   44.368   13.319   1.1726   13.166   1.2787   14.129   2.9400  708.052   35.127  701.754   81.488 6.297729 88.73647 
1 1 1   25   25   26 o  365.707   45.071   3.1423   0.5983   2.8902   0.6433   4.7567   1.6280  330.914   37.813  400.500   81.827 -69.58557 90.14181 
1 1 1   25   25   28 o  488.355   43.004   5.8738   0.9411   5.2052   1.0692   8.1723   1.9825  440.170   47.248  536.541   71.869 -96.37033 86.00876 
1 1 1   25   25   30 o  198.788   43.785   0.9191   0.3792   0.8346   0.4089   1.4386   1.0136  173.122   45.382  224.453   74.894 -51.33055 87.57063 
1 1 1   25   25   32 o  175.109   41.855   0.8246   0.3755   0.8796   0.4046   0.4836   1.0081  177.327   44.466  172.890   70.924 4.436935 83.70992 
1 1 1   25   25   34 o  244.609   45.962   1.9568   0.5729   2.2106   0.6427   0.9758   1.2638  285.707   43.757  203.512   80.842 82.19450 91.92396 
1 1 1   25   25   36 o  531.847   36.593   7.5798   1.0006   7.5798   1.0006   0.0000   0.0000  531.847   36.593  ?   ?       ?      ? 
1 1 1   25   25   38 o  461.638   67.741   6.3892   1.6078   6.3892   1.6078   0.0000   0.0000  461.638   67.741  ?   ?       ?      ? 
1 1 1   25   25   40 o  162.868   40.067   0.7384   0.3573   0.7851   0.3897   0.4925   0.8941  165.044   44.789  160.691   66.448 4.352798 80.13371 
1 1 1   25   26    1 o  453.846   61.986   5.8201   1.4133   6.5573   1.9900   5.0698   2.0075  489.741   79.035  417.951   95.512 71.78964 123.9727 
1 1 1   25   26    3 o  519.814   61.581   7.6060   1.5596   5.2126   2.1364   10.337   2.2820  421.689  100.048  617.939   71.828 -196.2506 123.1617 
1 1 1   25   26    5 o  484.746   46.947   5.8179   1.0957   4.9875   1.3029   7.8246   2.0253  432.754   58.559  536.739   73.395 -103.9852 93.89344 
1 1 1   25   26    7 f  229.681   62.191   1.4604   0.7524   1.4604   0.7524   0.0000   0.0000  229.681   62.191  ?   ?       ?      ? 
1 1 1   25   26    9 o  772.278   44.420   14.161   1.6266   11.542   1.9030   21.263   3.1340  658.442   56.215  886.115   68.793 -227.6731 88.84025 
1 1 1   25   26   11 o  397.156   37.568   2.6242   0.5761   1.9635   0.6155   7.2870   1.6352  273.283   43.808  521.030   61.044 -247.7470 75.13661 
1 1 1   25   26   13 o  159.825   41.206   0.6956   0.3408   0.6956   0.3408   0.0000   0.0000  159.825   41.206  ?   ?       ?      ? 
1 1 1   25   26   15 f  318.815   36.552   2.6596   0.5991   2.6596   0.5991   0.0000   0.0000  318.815   36.552  ?   ?       ?      ? 
1 1 1   25   26   17 o  497.320   43.341   5.8328   0.9706   5.0196   1.1015   8.6584   2.0532  434.365   49.324  560.275   71.280 -125.9099 86.68173 
1 1 1   25   26   19 o  588.823   60.896   11.651   1.3302   12.992   1.5177   7.2108   2.7628  701.389   42.088  476.258  114.289 225.1305 121.7927 
1 1 1   25   26   21 o  155.814   37.406   0.6521   0.3132   0.7487   0.3356   0.0000   0.8722  165.281   39.937  146.347   63.260 18.93440 74.81163 
1 1 1   25   26   23 o  920.202   42.167   21.762   1.4830   21.095   1.6168   25.296   3.7227  896.200   35.090  944.204   76.686 -48.00421 84.33346 
1 1 1   25   26   25 o  528.963   44.184   7.0088   1.0372   6.3677   1.1769   9.2394   2.1950  487.706   46.935  570.221   74.873 -82.51456 88.36746 
1 1 1   25   26   27 o  234.086   44.562   0.9367   0.4470   0.5832   0.4847   2.9476   1.1560  151.351   51.784  316.822   72.536 -165.4715 89.12347 
1 1 1   25   26   29 o  339.130   53.838   3.8491   0.7902   4.1948   0.8846   2.4839   1.7577  395.744   43.477  282.515   98.509 113.2292 107.6767 
1 1 1   25   26   31 o  472.718   39.214   4.7050   0.7340   4.0001   0.7929   8.9216   1.9394  386.953   39.857  558.484   67.545 -171.5308 78.42817 
1 1 1   25   26   33 o  191.192   46.708   0.7978   0.4374   0.6667   0.4764   1.5003   1.1030  156.832   51.299  225.553   78.070 -68.72127 93.41576 
1 1 1   25   26   35 o   99.453   38.297   0.1877   0.2763   0.1877   0.2763   0.0000   0.0000   99.453   38.297  ?   ?       ?      ? 
1 1 1   25   26   37 f  221.553   49.201   1.5749   0.5972   1.7238   0.6705   1.0033   1.3138  242.126   55.101  200.980   81.528 41.14604 98.40242 
1 1 1   25   26   39 o  196.655   45.503   0.9631   0.3890   0.8889   0.4142   1.5194   1.1336  175.378   45.533  217.933   78.796 -42.55501 91.00600 
1 1 1   25   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   27    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   27    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   27    6 o  561.047   78.627   8.6685   2.2680   8.6685   2.2680   0.0000   0.0000  561.047   78.627  ?   ?       ?      ? 
1 1 1   25   27    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   27   10 o  505.663   35.753   6.6777   0.9295   6.6777   0.9295   0.0000   0.0000  505.663   35.753  ?   ?       ?      ? 
1 1 1   25   27   12 o  264.626   34.806   1.8287   0.4735   1.8287   0.4735   0.0000   0.0000  264.626   34.806  ?   ?       ?      ? 
1 1 1   25   27   14 o  173.980   41.743   0.7228   0.3038   0.7427   0.3162   0.4846   1.0943  165.124   38.032  182.837   74.320 -17.71306 83.48565 
1 1 1   25   27   16 o  349.098   50.720   3.4044   0.6318   3.3986   0.6801   3.4410   1.7080  360.027   36.742  338.168   94.552 21.85977 101.4398 
1 1 1   25   27   18 o  673.957   47.466   12.033   1.3591   11.668   1.5321   13.380   2.9437  663.240   44.931  684.675   83.626 -21.43457 94.93214 
1 1 1   25   27   20 o  187.945   43.792   0.6456   0.3162   0.5648   0.3310   1.4852   1.0675  144.534   42.028  231.356   76.841 -86.82159 87.58328 
1 1 1   25   27   22 o  251.533   44.236   1.1705   0.4130   0.9338   0.4391   2.9865   1.2162  183.606   46.474  319.459   75.283 -135.8537 88.47250 
1 1 1   25   27   24 o  301.653   44.002   1.9959   0.4872   1.7743   0.5215   3.5142   1.3650  258.978   39.168  344.328   78.808 -85.34998 88.00459 
1 1 1   25   27   26 o  363.779   49.213   3.6433   0.6443   3.5798   0.6970   4.0166   1.6899  368.114   36.826  359.444   91.277 8.669678 98.42565 
1 1 1   25   27   28 o  580.042   57.405   10.630   1.2759   11.200   1.4458   8.6262   2.7127  646.571   43.493  513.513  106.254 133.0587 114.8107 
1 1 1   25   27   30 o  322.787   51.564   2.7483   0.5991   2.6298   0.6397   3.5941   1.7087  313.803   39.648  331.770   95.203 -17.96689 103.1290 
1 1 1   25   27   32 o  256.595   50.986   1.8659   0.6489   1.8659   0.6489   0.0000   0.0000  256.595   50.986  ?   ?       ?      ? 
1 1 1   25   27   34 o  270.084   47.790   2.1873   0.5156   2.2060   0.5547   2.0687   1.3972  286.684   37.636  253.484   87.859 33.19978 95.58075 
1 1 1   25   27   36 o  246.101   47.115   1.1994   0.4303   0.9641   0.4557   3.1337   1.3064  183.025   47.879  309.177   81.159 -126.1529 94.22954 
1 1 1   25   27   38 o  171.706   44.529   0.7004   0.4074   0.6381   0.4433   1.0387   1.0325  151.010   49.488  192.402   74.044 -41.39180 89.05898 
1 1 1   25   28    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   28    3 o  743.283   82.431   15.367   3.1500   0.0000   0.0000   15.367   3.1500  ?   ?   743.283   82.431      ?      ? 
1 1 1   25   28    5 o  238.971   54.080   1.5741   0.7512   1.7154   0.9816   1.3744   1.1670  247.478   72.492  230.465   80.272 17.01306 108.1605 
1 1 1   25   28    7 o  238.752   57.267   1.5059   0.8465   1.1857   1.1892   1.8348   1.2051  221.088   80.586  256.416   81.386 -35.32755 114.5332 
1 1 1   25   28    9 o  302.713   49.503   2.3667   0.4870   2.3274   0.5113   2.7519   1.6007  298.732   33.288  306.694   93.242 -7.962280 99.00597 
1 1 1   25   28   11 o  313.664   41.476   2.0231   0.4606   1.7890   0.4898   3.8127   1.3542  261.431   36.442  365.897   74.519 -104.4664 82.95240 
1 1 1   25   28   13 o  295.118   43.204   1.5739   0.4347   1.3191   0.4577   3.9178   1.3882  220.321   41.941  369.915   75.545 -149.5945 86.40717 
1 1 1   25   28   15 o  300.971   38.883   1.6552   0.4503   1.3090   0.4822   4.0106   1.2579  218.706   44.403  383.236   63.842 -164.5301 77.76534 
1 1 1   25   28   17 o  322.989   59.502   3.1697   1.0057   3.6114   1.3087   2.5327   1.5717  353.922   74.288  292.056   92.968 61.86679 119.0033 
1 1 1   25   28   19 o  159.912   37.837   0.6996   0.3139   0.7921   0.3340   0.0000   0.9190  170.072   39.030  149.752   64.833 20.31960 75.67478 
1 1 1   25   28   21 o  414.186   48.059   4.6616   0.7083   4.5846   0.7681   5.0992   1.8304  417.495   35.786  410.876   89.208 6.618256 96.11822 
1 1 1   25   28   23 o  208.259   41.623   1.3974   0.4214   1.5722   0.4470   0.0000   1.2638  244.355   35.578  172.162   75.261 72.19334 83.24697 
1 1 1   25   28   25 o  295.985   48.761   2.7248   0.5679   2.8377   0.6152   2.0729   1.4782  327.780   36.504  264.190   90.432 63.58966 97.52122 
1 1 1   25   28   27 o  276.300   49.007   1.8892   0.6077   1.5446   0.6882   3.1104   1.2955  232.226   57.853  320.374   79.120 -88.14856 98.01485 
1 1 1   25   28   29 o  246.356   48.961   1.2982   0.4255   1.1663   0.4462   2.6207   1.4131  204.666   43.732  288.047   87.614 -83.38084 97.92241 
1 1 1   25   28   31 o  446.042   44.603   5.3962   1.0229   5.3962   1.0229   0.0000   0.0000  446.042   44.603  ?   ?       ?      ? 
1 1 1   25   28   33 o  388.819   52.691   4.4859   0.7358   4.4366   0.7978   4.7666   1.9039  406.326   38.189  371.313   98.219 35.01300 105.3821 
1 1 1   25   28   35 o  218.257   43.190   1.5863   0.4693   1.7552   0.5056   0.5349   1.2611  254.717   38.607  181.798   77.272 72.91891 86.37957 
1 1 1   25   28   37 o  142.915   39.621   0.4632   0.3960   0.5821   0.4440   0.0000   0.8761  146.039   49.563  139.791   61.828 6.247711 79.24116 
1 1 1   25   29    0 o  1029.73   47.219   26.595   2.3863   35.613   4.0976   21.967   2.9355  1153.18   69.696  906.278   63.724 0.000000 0.000000 
1 1 1   25   29    2 o  672.226   33.094   11.947   1.1438   11.965   1.6148   11.929   1.6203  672.776   46.684  671.675   46.920 1.100159 66.18852 
1 1 1   25   29    4 o  155.915   33.271   0.6344   0.2992   0.4008   0.4201   0.8746   0.4261  133.184   47.997  178.647   46.090 -45.46301 66.54291 
1 1 1   25   29    6 o  293.652   49.262   2.3989   0.6492   2.4117   0.7365   2.3541   1.3751  301.753   47.471  285.552   86.335 16.20016 98.52486 
1 1 1   25   29    8 o  822.555   41.531   16.323   1.4129   15.137   1.5618   21.671   3.3159  758.963   40.025  886.148   72.782 -127.1846 83.06134 
1 1 1   25   29   10 o  226.723   38.925   1.1648   0.4282   0.7427   0.5029   2.2777   0.8166  167.063   52.524  286.382   57.463 -119.3189 77.85058 
1 1 1   25   29   12 o  463.357   51.442   5.7919   0.9261   5.6485   1.0259   6.4233   2.1526  462.311   43.161  464.403   93.392 -2.091675 102.8832 
1 1 1   25   29   14 o  157.873   40.806   0.5998   0.3650   0.6914   0.3918   0.0000   1.0029  159.347   45.546  156.400   67.720 2.947586 81.61151 
1 1 1   25   29   16 o  262.337   48.266   2.1675   0.6601   2.5392   0.7606   1.0336   1.3285  308.440   47.964  216.234   83.773 92.20599 96.53239 
1 1 1   25   29   18 o  497.944   43.037   6.1431   0.8181   5.8420   0.8882   7.8277   2.1007  471.207   36.663  524.681   77.875 -53.47369 86.07394 
1 1 1   25   29   20 o  313.004   51.081   3.6530   0.6648   4.0440   0.7130   1.0520   1.8389  392.143   35.366  233.865   95.845 158.2776 102.1616 
1 1 1   25   29   22 o  406.025   49.038   4.6616   0.7137   4.6493   0.7770   4.7277   1.8044  420.014   35.983  392.036   91.237 27.97806 98.07681 
1 1 1   25   29   24 o  728.706   43.067   13.312   1.1789   12.689   1.2763   16.933   3.0774  693.343   35.805  764.069   78.339 -70.72546 86.13358 
1 1 1   25   29   26 f  284.223   47.378   2.9068   0.5813   3.2253   0.6294   1.0581   1.5166  349.368   35.042  219.077   88.039 130.2906 94.75694 
1 1 1   25   29   28 o  240.832   49.544   1.1497   0.6245   0.5065   0.7154   3.2115   1.2808  157.430   61.339  324.234   77.821 -166.8037 99.08882 
1 1 1   25   29   30 o  321.252   45.084   2.8031   0.7446   2.8031   0.7446   0.0000   0.0000  321.252   45.084  ?   ?       ?      ? 
1 1 1   25   29   32 o  199.332   45.035   0.9377   0.4229   0.7890   0.4652   1.6456   1.0150  167.101   50.148  231.562   74.817 -64.46069 90.06915 
1 1 1   25   29   34 o  195.833   43.974   1.1786   0.4402   1.2780   0.4736   0.5475   1.1937  212.184   44.817  179.482   75.673 32.70291 87.94873 
1 1 1   25   29   36 o  160.776   42.150   0.6228   0.3348   0.6303   0.3522   0.5532   1.0797  149.098   43.349  172.454   72.300 -23.35664 84.29961 
1 1 1   25   29   38 f  218.258   49.391   1.2435   0.5152   1.0234   0.5694   2.2371   1.2099  184.225   55.522  252.290   81.703 -68.06447 98.78272 
1 1 1   25   30    1 o  465.219   33.578   5.7417   0.8024   5.4576   1.1336   6.0269   1.1359  453.333   48.636  477.105   46.309 -23.77280 67.15630 
1 1 1   25   30    3 o  332.277   36.618   3.0476   0.5920   3.8005   0.8286   2.2627   0.8460  379.710   42.445  284.844   59.682 94.86661 73.23631 
1 1 1   25   30    5 o  278.547   49.763   1.8879   0.6059   1.6356   0.6777   2.8932   1.3526  242.419   55.564  314.675   82.571 -72.25595 99.52555 
1 1 1   25   30    7 o  116.467   28.560   0.3237   0.2176   0.4499   0.2705   0.0925   0.3661  129.732   38.068  103.203   42.586 26.52900 57.12039 
1 1 1   25   30    9 o  177.970   35.579   0.7957   0.3295   0.6093   0.4048   1.1619   0.5674  151.456   47.038  204.484   53.394 -53.02821 71.15815 
1 1 1   25   30   11 o  425.798   44.064   4.1754   0.8002   3.6460   0.8874   6.4779   1.8507  370.332   46.608  481.264   74.795 -110.9318 88.12814 
1 1 1   25   30   13 o  594.651   48.268   9.2151   1.1539   8.8767   1.2748   10.750   2.7147  578.994   42.826  610.309   86.516 -31.31500 96.53584 
1 1 1   25   30   15 o  472.659   42.209   4.6592   0.8229   3.8488   0.8978   8.9170   2.0580  380.132   45.938  565.187   70.824 -185.0550 84.41807 
1 1 1   25   30   17 o  166.814   47.964   0.4026   0.6047   0.3444   0.7275   0.5326   1.0874  151.117   60.890  182.511   74.125 -31.39391 95.92736 
1 1 1   25   30   19 o  254.000   50.233   1.5245   0.5850   1.2226   0.6566   2.6875   1.2888  208.267   58.763  299.734   81.489 -91.46666 100.4668 
1 1 1   25   30   21 o  266.035   44.870   1.5340   0.5234   1.1139   0.5848   3.2272   1.1740  199.006   55.215  333.064   70.743 -134.0574 89.74003 
1 1 1   25   30   23 o  229.076   45.018   1.3766   0.4242   1.3377   0.4564   1.6238   1.1503  220.777   41.736  237.375   79.780 -16.59837 90.03681 
1 1 1   25   30   25 o  383.152   46.178   3.4305   0.6291   3.1351   0.6734   5.4579   1.7641  343.504   38.128  422.801   84.117 -79.29697 92.35503 
1 1 1   25   30   27 o  264.713   89.788   2.1847   1.4571   0.0000   0.0000   2.1847   1.4571  ?   ?   264.713   89.788      ?      ? 
1 1 1   25   30   29 o  194.547   41.701   1.0552   0.4046   1.0552   0.4046   0.0000   0.0000  194.547   41.701  ?   ?       ?      ? 
1 1 1   25   30   31 o  378.434   49.358   3.1923   0.6406   2.8288   0.6788   6.1533   1.9373  323.399   40.824  433.470   89.880 -110.0704 98.71682 
1 1 1   25   30   33 o  289.085   51.389   2.7155   0.5870   2.7776   0.6264   2.2680   1.6816  320.679   37.997  257.492   95.496 63.18747 102.7777 
1 1 1   25   30   35 o  240.031   50.354   1.7109   0.4990   1.7121   0.5234   1.6984   1.6524  249.935   40.732  230.126   92.103 19.80920 100.7079 
1 1 1   25   30   37 o  254.543   51.634   1.8759   0.7256   1.0590   0.8959   3.4339   1.2372  188.371   69.734  320.715   76.168 -132.3443 103.2680 
1 1 1   25   31    0 o  604.092   51.024   9.6813   1.4624   8.6907   1.7930   11.649   2.5273  562.846   64.110  645.337   79.397 -0.000000 0.000000 
1 1 1   25   31    2 f  229.607   39.750   1.4554   0.4594   1.3704   0.5962   1.5796   0.7209  222.012   52.970  237.203   59.282 -15.19118 79.49963 
1 1 1   25   31    4 o  162.560   47.726   0.7167   0.4250   0.7167   0.4250   0.0000   0.0000  162.560   47.726  ?   ?       ?      ? 
1 1 1   25   31    6 o  174.471   35.172   0.8285   0.3197   0.8323   0.3923   0.8211   0.5514  174.040   43.861  174.902   54.995 -0.8626862 70.34411 
1 1 1   25   31    8 o  250.447   38.197   1.6804   0.4578   1.5334   0.5614   1.9720   0.7906  236.047   47.901  264.847   59.510 -28.80011 76.39304 
1 1 1   25   31   10 o  741.146   29.750   14.625   1.1194   11.984   1.5768   17.308   1.5894  671.366   45.681  810.925   38.124 -139.5582 59.49923 
1 1 1   25   31   12 o  292.728   36.811   2.3400   0.5334   2.3488   0.6994   2.3276   0.8249  297.027   45.797  288.429   57.643 8.598297 73.62135 
1 1 1   25   31   14 o  211.346   35.724   1.2003   0.4431   0.3126   0.6252   2.0963   0.6281  141.779   56.686  280.914   43.493 -139.1355 71.44862 
1 1 1   25   31   16 o  170.592   44.430   0.7136   0.4591   0.8480   0.5004   0.0000   1.1532  175.562   51.855  165.622   72.162 9.939804 88.86082 
1 1 1   25   31   18 o  181.611   45.877   0.8671   0.5076   1.0468   0.5578   0.0000   1.2253  193.426   54.015  169.796   74.170 23.62941 91.75391 
1 1 1   25   31   20 o  330.291   41.892   2.0025   0.6160   0.9753   0.6891   6.0900   1.3746  189.023   61.686  471.559   56.697 -282.5361 83.78386 
1 1 1   25   31   22 o  387.565   54.830   4.4167   0.8733   4.4128   0.9803   4.4316   1.9222  404.667   47.120  370.464   99.021 34.20313 109.6605 
1 1 1   25   31   24 o  524.386   49.910   7.0739   1.0990   6.5009   1.2228   9.4832   2.5074  489.447   48.592  559.324   87.195 -69.87756 99.82040 
1 1 1   25   31   26 o  370.830   69.338   4.0576   1.2734   4.0576   1.2734   0.0000   0.0000  370.830   69.338  ?   ?       ?      ? 
1 1 1   25   31   28 o  156.196   44.759   0.6808   0.3779   0.6808   0.3779   0.0000   0.0000  156.196   44.759  ?   ?       ?      ? 
1 1 1   25   31   30 o  226.010   46.100   1.1158   0.3981   0.9710   0.4221   2.2831   1.1983  185.104   44.828  266.916   80.569 -81.81241 92.20057 
1 1 1   25   31   32 o  144.300   39.915   0.4612   0.3065   0.5027   0.3200   0.0000   1.0667  135.210   41.799  153.389   68.013 -18.17943 79.83073 
1 1 1   25   31   34 o  333.695   53.837   3.9998   0.7059   4.1850   0.7626   2.8919   1.8653  392.430   37.797  274.960  100.821 117.4701 107.6731 
1 1 1   25   31   36 o  196.670   46.718   1.2420   0.5197   1.3640   0.5659   0.5854   1.3131  213.719   51.997  179.622   77.632 34.09781 93.43661 
1 1 1   25   32    1 f  428.651   58.157   4.9802   1.2817   4.9802   1.2817   0.0000   0.0000  428.651   58.157  ?   ?       ?      ? 
1 1 1   25   32    3 o  155.918   51.822   0.6267   0.4855   0.6267   0.4855   0.0000   0.0000  155.918   51.822  ?   ?       ?      ? 
1 1 1   25   32    5 o  292.423   36.574   2.3137   0.5345   1.9379   0.7282   2.7527   0.7871  263.543   55.501  321.303   47.648 -57.75919 73.14849 
1 1 1   25   32    7 o  455.301   31.883   5.5364   0.7313   5.6531   0.9510   5.3677   1.1439  462.803   39.966  447.799   49.688 15.00397 63.76661 
1 1 1   25   32    9 o  431.926   33.229   5.0812   0.7179   5.5830   0.9462   4.4001   1.1022  459.760   40.028  404.091   53.053 55.66977 66.45896 
1 1 1   25   32   11 o  593.416   34.782   9.5350   1.0252   9.0241   1.6515   9.8555   1.3077  576.932   55.677  609.900   41.706 -32.96753 69.56461 
1 1 1   25   32   13 o  193.051   39.088   1.0509   0.4210   0.7072   0.6302   1.3280   0.5658  168.085   58.962  218.016   51.331 -49.93114 78.17569 
1 1 1   25   32   15 o  166.770   43.272   0.6246   0.3796   0.6365   0.4081   0.5481   1.0348  153.645   47.152  179.894   72.572 -26.24927 86.54462 
1 1 1   25   32   17 o  708.014   34.600   13.492   1.2589   12.936   1.7656   14.068   1.7953  692.746   49.574  723.281   48.281 -30.53455 69.19932 
1 1 1   25   32   19 o  564.018   50.979   8.7829   1.2546   8.5305   1.4336   9.6085   2.5927  561.783   49.635  566.253   89.059 -4.470154 101.9570 
1 1 1   25   32   21 o  278.911   48.347   2.7179   0.7452   3.4378   0.8611   0.5703   1.4873  357.028   46.909  200.794   84.553 156.2337 96.69391 
1 1 1   25   32   23 o  371.012   60.293   4.4684   1.1187   5.0202   1.3829   3.4236   1.9030  421.686   63.788  320.337  102.334 101.3492 120.5867 
1 1 1   25   32   25 o  359.709   72.049   3.8693   1.2860   3.8693   1.2860   0.0000   0.0000  359.709   72.049  ?   ?       ?      ? 
1 1 1   25   32   27 o  328.567   58.165   3.4070   0.9575   3.3610   1.2037   3.4862   1.5801  332.487   72.463  324.647   91.005 7.840271 116.3306 
1 1 1   25   32   29 o  306.207   49.416   2.4288   0.5491   2.2795   0.5864   3.4927   1.5651  290.704   39.233  321.711   90.712 -31.00763 98.83219 
1 1 1   25   32   31 o  350.193   51.099   5.3280   0.7916   6.1125   0.8632   1.1790   1.9850  477.202   35.182  223.185   95.952 254.0173 102.1983 
1 1 1   25   32   33 o  275.042   49.024   2.3134   0.5385   2.3017   0.5788   2.3888   1.4686  290.582   38.743  259.502   90.069 31.07990 98.04840 
1 1 1   25   32   35 o  448.908   56.609   6.3201   0.8596   6.1840   0.9255   7.1747   2.3189  475.062   37.894  422.754  106.687 52.30774 113.2170 
1 1 1   25   33    0 o  608.216   91.356   10.722   2.6666   10.722   2.6666   0.0000   0.0000  608.216   91.356  608.216   91.356 0.000000 0.000000 
1 1 1   25   33    2 o  343.198   41.553   3.3483   0.6907   2.7605   1.0650   3.7750   0.9074  310.209   68.599  376.187   46.915 -65.97751 83.10686 
1 1 1   25   33    4 o  794.395   37.955   17.233   1.5144   15.901   2.3490   18.180   1.9811  763.216   59.865  825.573   46.675 -62.35693 75.91034 
1 1 1   25   33    6 o  129.795   32.003   0.4076   0.2620   0.4320   0.3530   0.3776   0.3909  131.153   44.198  128.438   46.295 2.714935 64.00524 
1 1 1   25   33    8 o  162.279   34.251   0.7147   0.3142   0.8915   0.4357   0.5231   0.4535  179.457   46.752  145.102   50.068 34.35493 68.50213 
1 1 1   25   33   10 o  588.803   37.267   9.3303   1.1180   9.6241   1.7085   9.1103   1.4785  595.136   55.836  582.470   49.373 12.66693 74.53415 
1 1 1   25   33   12 o  460.545   33.315   5.6796   0.7847   5.6745   1.0579   5.6858   1.1701  461.274   44.609  459.816   49.494 1.457916 66.63073 
1 1 1   25   33   14 o  167.011   48.147   0.7681   0.4361   0.7681   0.4361   0.0000   0.0000  167.011   48.147  ?   ?       ?      ? 
1 1 1   25   33   16 o  492.590   36.767   6.5642   0.9299   6.9836   1.3562   6.1922   1.2774  507.402   51.989  477.779   52.003 29.62329 73.53401 
1 1 1   25   33   18 o  230.946   39.574   1.5036   0.4674   1.8221   0.6861   1.2278   0.6384  254.085   54.173  207.806   57.703 46.27893 79.14744 
1 1 1   25   33   20 o  366.890   36.649   3.6748   0.6912   3.6340   0.9826   3.7148   0.9724  364.629   52.416  369.152   51.236 -4.522461 73.29757 
1 1 1   25   33   22 o  313.175   74.802   2.9641   1.1878   2.9641   1.1878   0.0000   0.0000  313.175   74.802  ?   ?       ?      ? 
1 1 1   25   33   24 o  264.893   55.105   2.0098   0.7260   2.0098   0.7260   0.0000   0.0000  264.893   55.105  ?   ?       ?      ? 
1 1 1   25   33   26 o  324.224   55.361   3.7015   1.0517   5.1257   1.3162   1.1858   1.7492  424.292   60.337  224.156   92.837 200.1351 110.7216 
1 1 1   25   33   28 o  252.174   46.373   2.2452   0.6439   2.6964   0.7268   0.5996   1.3880  313.659   45.070  190.689   81.058 122.9694 92.74589 
1 1 1   25   33   30 o  301.480   52.500   3.0467   0.7306   3.2142   0.8203   2.4042   1.6069  340.323   46.883  262.637   93.951 77.68631 104.9995 
1 1 1   25   33   32 o  296.209   44.825   1.5754   0.4664   1.2018   0.4922   4.8713   1.4617  203.344   47.871  389.073   75.798 -185.7291 89.64945 
1 1 1   25   33   34 o  191.392   46.129   0.7690   0.3618   0.6541   0.3806   1.8515   1.1678  150.839   45.376  231.945   80.328 -81.10567 92.25794 
1 1 1   25   34    1 o  489.794   46.726   6.0866   1.0231   7.8866   2.1331   5.5489   1.1659  525.086   79.017  454.502   49.896 70.58398 93.45200 
1 1 1   25   34    3 o  342.560   53.432   4.0505   0.8555   1.9146   1.7187   4.7542   0.9864  262.909   96.720  422.211   45.444 -159.3019 106.8636 
1 1 1   25   34    5 o  654.024   44.695   10.674   1.3492   14.549   2.7011   9.3854   1.5574  717.894   73.184  590.154   51.331 127.7405 89.39073 
1 1 1   25   34    7 o  171.153   42.889   0.6926   0.4309   0.8177   0.8410   0.6481   0.5018  184.378   67.684  157.928   52.694 26.44983 85.77772 
1 1 1   25   34    9 o  309.653   51.547   2.8473   0.7462   2.5078   1.4705   2.9650   0.8660  287.729   89.707  331.578   50.802 -43.84866 103.0931 
1 1 1   25   34   11 o  332.457   35.573   2.9417   0.5999   3.2259   0.9433   2.7488   0.7773  344.824   53.206  320.089   47.233 24.73526 71.14685 
1 1 1   25   34   13 o  569.763   52.904   9.1116   1.4178   8.8428   1.6903   9.7496   2.6039  567.501   57.934  572.026   88.539 -4.524963 105.8085 
1 1 1   25   34   15 f  419.589   44.513   4.8893   0.8980   3.2456   1.1997   6.9840   1.3543  332.254   72.287  506.924   51.964 -174.6701 89.02622 
1 1 1   25   34   17 o  733.015   36.533   14.329   1.3018   13.705   1.5873   15.610   2.2753  715.418   43.154  750.611   58.960 -35.19305 73.06526 
1 1 1   25   34   19 o  211.512   42.551   1.1453   0.4836   1.8986   0.8160   0.7376   0.6004  255.412   62.625  167.612   57.624 87.79993 85.10206 
1 1 1   25   34   21 o  197.411   45.562   1.0872   0.5246   1.2033   0.8234   1.0079   0.6805  205.351   67.453  189.470   61.265 15.88112 91.12302 
1 1 1   25   34   23 o  387.651   53.396   4.3630   0.8682   4.2293   0.9815   4.8437   1.8617  392.937   48.584  382.365   95.100 10.57251 106.7913 
1 1 1   25   34   25 o  305.355   58.585   2.8142   0.8928   2.4406   1.0771   3.6348   1.5962  280.683   73.697  330.026   91.091 -49.34314 117.1700 
1 1 1   25   34   27 o  153.409   43.389   0.4311   0.4198   0.3926   0.4625   0.6115   1.0004  132.326   49.883  174.491   71.008 -42.16522 86.77853 
1 1 1   25   34   29 o  240.878   49.917   1.2606   0.5324   0.9035   0.5820   3.0949   1.3189  176.755   56.605  305.002   82.236 -128.2468 99.83395 
1 1 1   25   34   31 o  278.449   47.814   3.0012   0.7566   3.7262   0.8642   0.6207   1.5660  365.089   46.041  191.808   83.816 173.2813 95.62881 
1 1 1   25   35    0 o  786.320   53.180   17.234   1.9560   17.448   2.3983   16.809   3.3802  804.842   58.676  767.798   88.711 -0.000000 0.000000 
1 1 1   25   35    2 o  180.132   36.491   0.8960   0.3606   1.0928   0.5099   0.6990   0.5101  197.778   50.091  162.485   53.079 35.29265 72.98230 
1 1 1   25   35    4 o  753.464   33.421   15.212   1.2942   14.742   1.8073   15.707   1.8543  741.431   47.411  765.498   47.116 -24.06683 66.84121 
1 1 1   25   35    6 o  380.597   37.658   4.0305   0.6912   2.8396   0.9675   5.2718   0.9878  316.358   61.701  444.835   43.191 -128.4774 75.31612 
1 1 1   25   35    8 o  155.403   33.989   0.6545   0.3175   0.8980   0.4163   0.3159   0.4908  179.880   45.096  130.926   50.865 48.95500 67.97709 
1 1 1   25   35   10 o  205.809   37.987   1.2156   0.4113   1.4281   0.5499   0.9459   0.6197  226.334   48.702  185.283   58.311 41.05084 75.97433 
1 1 1   25   35   12 o  319.447   38.190   2.7849   0.6025   3.0098   0.9565   2.6371   0.7756  326.228   59.208  312.667   48.252 13.56165 76.37944 
1 1 1   25   35   14 o  373.122   54.401   4.5058   0.9149   3.2129   1.7365   5.0026   1.0763  316.242   97.300  430.002   48.687 -113.7593 108.8013 
1 1 1   25   35   16 o  327.900   49.516   3.2141   0.7651   2.8892   1.3805   3.3581   0.9192  304.838   84.926  350.962   50.941 -46.12415 99.03209 
1 1 1   25   35   18 o  190.399   39.981   1.0029   0.4439   1.4493   0.6285   0.5587   0.6269  225.025   54.830  155.773   58.202 69.25169 79.96140 
1 1 1   25   35   20 o  246.142   44.446   1.8285   0.5723   2.1501   0.7552   1.3946   0.8771  274.169   55.478  218.116   69.454 56.05351 88.89113 
1 1 1   25   35   22 o  178.646   40.636   0.8977   0.4239   0.9392   0.5775   0.8492   0.6241  181.840   56.139  175.453   58.768 6.386490 81.27261 
1 1 1   25   35   24 o  203.144   50.181   1.0832   0.5164   1.0573   0.5580   1.2382   1.3636  191.194   54.249  215.095   84.437 -23.90096 100.3624 
1 1 1   25   35   26 o  414.662   54.564   4.9239   0.9464   4.5695   1.0659   6.2442   2.0574  403.854   51.336  425.470   96.299 -21.61508 109.1274 
1 1 1   25   35   28 o  203.875   49.388   1.2102   0.5658   1.1949   0.6447   1.2616   1.1803  199.891   58.804  207.859   79.364 -7.967224 98.77532 
1 1 1   25   35   30 o  214.876   49.310   1.2506   0.5182   1.1001   0.5737   1.9171   1.2074  191.766   55.206  237.985   81.721 -46.21898 98.62054 
1 1 1   25   36    1 o  430.547   35.096   5.0012   0.7739   4.4566   1.0792   5.5777   1.1104  405.528   51.763  455.566   47.407 -50.03802 70.19180 
1 1 1   25   36    3 o  476.957   35.120   6.1956   0.8480   7.3625   1.1971   5.0201   1.2014  524.763   44.369  429.152   54.451 95.61108 70.23963 
1 1 1   25   36    5 o  217.531   48.908   1.3458   0.5697   1.4179   0.6497   1.1058   1.1853  223.439   56.518  211.624   79.836 11.81471 97.81637 
1 1 1   25   36    7 o  214.759   36.188   1.3267   0.3972   1.5738   0.5326   1.0170   0.5963  238.924   45.011  190.593   56.678 48.33147 72.37617 
1 1 1   25   36    9 o  706.368   40.046   14.499   1.3199   16.114   1.6296   11.420   2.2505  777.943   40.743  634.793   68.955 143.1492 80.09288 
1 1 1   25   36   11 o  329.606   42.254   3.1485   0.6822   2.3262   0.9990   3.8672   0.9339  280.952   69.536  378.261   48.022 -97.30859 84.50711 
1 1 1   25   36   13 o  341.698   65.340   3.5114   1.1914   2.3889   1.5314   5.2325   1.8962  276.862   92.038  406.534   92.770 -129.6727 130.6801 
1 1 1   25   36   15 o  192.944   40.327   1.0201   0.4576   1.5413   0.6522   0.5150   0.6421  232.041   55.433  153.847   58.586 78.19463 80.65458 
1 1 1   25   36   17 o  357.181   45.133   3.6570   0.8068   3.1335   1.1114   4.2403   1.1731  325.195   68.629  389.167   58.633 -63.97214 90.26502 
1 1 1   25   36   19 o  249.871   58.514   1.9369   0.9129   2.4851   1.2221   1.2448   1.3731  281.436   80.437  218.305   85.003 63.13066 117.0285 
1 1 1   25   36   21 o  274.328   47.793   2.3543   0.7452   1.0842   1.1207   3.3608   0.9978  202.918   77.370  345.737   56.132 -142.8188 95.58686 
1 1 1   25   36   23 o  167.512   35.149   0.6961   0.3867   1.3858   0.5456   0.0000   0.5481  219.890   49.457  115.133   49.957 104.7565 70.29722 
1 1 1   25   36   25 o  236.351   48.748   1.7245   0.6265   1.8134   0.9353   1.6521   0.8438  240.905   70.814  231.796   67.012 9.108292 97.49541 
1 1 1   25   36   27 o  448.491   51.221   5.6955   1.1811   5.6955   1.1811   0.0000   0.0000  448.491   51.221  ?   ?       ?      ? 
1 1 1   25   36   29 o  332.762   53.125   2.6756   0.7456   1.9702   0.8241   5.8575   1.7504  251.257   63.707  414.266   85.031 -163.0094 106.2491 
1 1 1   25   37    0 o   92.958   52.576   0.3064   0.3863   0.3064   0.3863   0.0000   0.0000   92.958   52.576   92.958   52.576 -0.000000 0.000000 
1 1 1   25   37    2 o  274.572   64.035   2.1826   0.8873   0.0000   0.0000   2.1826   0.8873  ?   ?   274.572   64.035      ?      ? 
1 1 1   25   37    4 o  538.477   42.805   8.0861   1.1768   9.0204   1.6544   7.1292   1.6743  572.889   56.169  504.065   64.607 68.82343 85.60955 
1 1 1   25   37    6 o  249.350   44.871   1.8016   0.5852   2.2332   0.8364   1.3877   0.8191  279.204   60.050  219.497   66.691 59.70697 89.74255 
1 1 1   25   37    8 o  451.360   40.216   5.4994   0.9225   4.6104   1.2094   6.7365   1.4267  408.293   57.614  494.427   56.124 -86.13342 80.43205 
1 1 1   25   37   10 o  336.612   44.568   3.3084   0.7394   3.8153   0.9943   2.6811   1.1060  373.624   51.761  299.601   72.568 74.02219 89.13676 
1 1 1   25   37   12 o  279.028   60.480   2.4342   0.9403   2.4971   1.1989   2.3338   1.5156  285.277   79.027  272.779   91.576 12.49771 120.9599 
1 1 1   25   37   14 o  437.478   34.168   5.1944   0.7642   5.0207   1.0216   5.4152   1.1516  430.279   46.179  444.677   50.370 -14.39728 68.33514 
1 1 1   25   37   16 o  139.162   34.133   0.4891   0.3002   0.5707   0.4198   0.4038   0.4294  146.330   48.168  131.994   48.375 14.33553 68.26633 
1 1 1   25   37   18 o  340.591   39.434   3.3752   0.6516   3.9415   0.8772   2.6781   0.9733  380.670   44.820  300.511   64.894 80.15829 78.86752 
1 1 1   25   37   20 o  193.882   43.474   0.9934   0.4687   1.4724   0.8124   0.7543   0.5739  221.544   66.217  166.220   56.348 55.32462 86.94705 
1 1 1   25   37   22 o  134.611   37.485   0.2950   0.3522   0.5778   0.6555   0.1802   0.4175  156.252   59.268  112.970   45.912 43.28204 74.97094 
1 1 1   25   37   24 o  534.661  107.544   10.490   2.8538   0.0000   0.0000   10.490   2.8538  ?   ?   534.661  107.544      ?      ? 
1 1 1   25   37   26 o  103.865   32.047   0.0000   0.3006   0.0000   0.5440   0.0000   0.3606  113.619   49.532   94.111   40.679 19.50788 64.09488 
1 1 1   25   37   28 o  194.110   40.637   1.0977   0.4452   0.7403   0.5934   1.5576   0.6732  162.290   57.196  225.929   57.742 -63.63901 81.27380 
1 1 1   25   38    1 o  345.058   63.493   3.4256   1.0849   3.4256   1.0849   0.0000   0.0000  345.058   63.493  ?   ?       ?      ? 
1 1 1   25   38    3 o  325.907   45.615   3.0544   0.7485   3.4712   1.0568   2.6347   1.0605  353.682   58.115  298.131   70.325 55.55066 91.23069 
1 1 1   25   38    5 o  136.124   34.481   0.3995   0.3337   0.0000   0.5086   0.7015   0.4422  112.355   48.438  159.893   49.086 -47.53819 68.96178 
1 1 1   25   38    7 o  159.541   37.165   0.6604   0.3649   0.4099   0.5134   0.9162   0.5187  138.573   52.476  180.509   52.643 -41.93590 74.33078 
1 1 1   25   38    9 o  539.169   33.216   7.8065   0.9148   7.2008   1.2125   8.6068   1.3938  515.893   45.715  562.445   48.201 -46.55267 66.43172 
1 1 1   25   38   11 o  517.536   48.488   6.6411   1.1743   5.2447   1.3589   10.757   2.3331  431.073   61.316  604.000   75.132 -172.9276 96.97665 
1 1 1   25   38   13 o  226.664   36.960   1.4735   0.4234   1.2735   0.6027   1.6684   0.5949  210.211   55.096  243.117   49.280 -32.90681 73.91969 
1 1 1   25   38   15 o  434.474   33.326   5.1681   0.7429   4.8424   1.0553   5.4881   1.0460  419.897   48.885  449.050   45.306 -29.15234 66.65137 
1 1 1   25   38   17 o  215.130   38.823   1.3627   0.4479   1.8174   0.6217   0.8722   0.6457  253.045   49.557  177.214   59.774 75.83177 77.64592 
1 1 1   25   38   19 o  479.777   34.600   6.3630   0.8472   6.2712   1.1300   6.4809   1.2804  477.837   45.997  481.716   51.699 -3.878540 69.19911 
1 1 1   25   38   21 o  204.053   37.902   1.1454   0.4402   1.9638   0.6600   0.4898   0.5908  261.332   50.956  146.773   56.123 114.5586 75.80415 
1 1 1   25   38   23 o  210.458   53.364   1.1827   0.7100   0.7692   0.8705   2.0047   1.2274  175.091   67.817  245.825   82.411 -70.73381 106.7273 
1 1 1   25   38   25 o  289.604   50.347   2.7478   0.7159   2.4795   1.2783   2.8704   0.8642  267.753   83.666  311.456   56.028 -43.70264 100.6932 
1 1 1   25   38   27 o  159.769   40.562   0.7096   0.4165   0.6300   0.7017   0.7529   0.5175  158.104   60.986  161.435   53.495 -3.330856 81.12361 
1 1 1   25   39    0 o  212.661   56.422   1.8992   0.7224   0.5556   1.3400   2.4496   0.8577  144.214   89.681  281.108   68.492 0.000000 0.000000 
1 1 1   25   39    2 f  531.121   36.001   7.7885   0.9636   9.5631   1.3733   6.0674   1.3525  594.873   44.903  467.370   56.285 127.5031 72.00183 
1 1 1   25   39    4 o  337.330   37.492   3.1726   0.6315   2.7603   0.8831   3.6040   0.9033  310.975   57.349  363.684   48.309 -52.70844 74.98400 
1 1 1   25   39    6 o  196.619   40.592   1.1063   0.4354   1.0782   0.5997   1.1377   0.6333  194.190   56.598  199.047   58.203 -4.856812 81.18456 
1 1 1   25   39    8 o  286.775   38.124   2.3249   0.5447   2.4207   0.7292   2.2039   0.8194  297.936   47.605  275.615   59.561 22.32123 76.24766 
1 1 1   25   39   10 o  154.028   43.617   0.4811   0.4149   0.5497   0.4435   0.0000   1.1739  145.265   49.535  162.790   71.805 -17.52457 87.23356 
1 1 1   25   39   12 o  377.928   33.767   3.9074   0.6556   4.0720   0.9501   3.7578   0.9058  385.417   47.949  370.439   47.558 14.97855 67.53435 
1 1 1   25   39   14 o  152.917   32.531   0.5687   0.2995   1.0519   0.4589   0.2104   0.3952  192.410   46.835  113.424   45.161 78.98572 65.06207 
1 1 1   25   39   16 o  237.726   41.777   1.6721   0.5074   1.6936   0.6889   1.6467   0.7502  240.435   56.658  235.016   61.409 5.418747 83.55387 
1 1 1   25   39   18 o  534.441   35.674   7.9284   0.9771   7.3467   1.3200   8.6334   1.4533  513.247   50.024  555.635   50.875 -42.38721 71.34858 
1 1 1   25   39   20 o  257.237   44.107   2.0035   0.5764   2.0350   0.8434   1.9759   0.7895  258.293   63.872  256.182   60.844 2.110992 88.21330 
1 1 1   25   39   22 o  524.170   67.149   9.4449   1.4220   9.4216   1.6121   9.5267   3.0184  572.549   54.766  475.790  122.624 96.75912 134.2979 
1 1 1   25   39   24 o  151.987   38.403   0.6227   0.3798   0.6605   0.5208   0.5798   0.5552  154.484   53.638  149.491   54.974 4.992920 76.80582 
1 1 1   25   40    1 o  277.479   39.381   2.2064   0.5422   2.4090   0.7774   2.0145   0.7566  291.002   53.946  263.956   57.387 27.04526 78.76208 
1 1 1   25   40    3 o  177.297   37.097   0.8799   0.3736   1.1614   0.5274   0.5964   0.5293  201.661   50.875  152.932   54.003 48.72966 74.19327 
1 1 1   25   40    5 o  241.505   39.507   1.6901   0.4819   1.8668   0.6788   1.5105   0.6842  255.440   53.404  227.570   58.236 27.86984 79.01479 
1 1 1   25   40    7 o  205.776   47.564   0.6624   0.4881   0.3010   0.5350   2.4597   1.1930  131.846   52.526  279.706   79.311 -147.8593 95.12739 
1 1 1   25   40    9 o  659.907   49.257   11.451   1.5018   9.8611   1.7332   16.243   3.0088  591.549   56.987  728.265   80.358 -136.7164 98.51392 
1 1 1   25   40   11 o  439.448   35.426   5.3928   0.7900   5.7497   1.0628   4.9523   1.1809  458.845   45.053  420.050   54.683 38.79501 70.85170 
1 1 1   25   40   13 o  160.428   35.172   0.6899   0.3269   0.9717   0.4909   0.4652   0.4383  183.908   50.412  136.949   49.059 46.95906 70.34320 
1 1 1   25   40   15 o  350.297   34.817   3.4040   0.6263   3.6242   0.9112   3.2068   0.8622  361.091   49.083  339.502   49.395 21.58893 69.63456 
1 1 1   25   40   17 o  363.409   40.008   3.9259   0.6999   4.5551   0.9344   3.1213   1.0566  406.675   44.691  320.144   66.372 86.53070 80.01532 
1 1 1   25   40   19 o  200.944   39.499   1.0654   0.4778   2.0564   0.7275   0.3139   0.6335  264.013   55.364  137.875   56.352 126.1372 78.99841 
1 1 1   25   40   21 o  374.421   57.446   4.5326   0.8961   4.4552   1.0013   4.8441   2.0090  397.069   49.048  351.772  103.896 45.29688 114.8917 
1 1 1   25   40   23 o  265.052   49.257   2.2427   0.6613   2.4011   1.1052   2.1544   0.8254  266.627   76.583  263.477   61.969 3.150726 98.51392 
1 1 1   25   41    0 o  785.618   54.543   17.714   2.0090   17.402   3.4381   17.875   2.4757  765.228   90.752  806.007   60.528 0.000000 0.000000 
1 1 1   25   41    2 o  477.666   35.888   6.3114   0.8807   6.6350   1.2714   6.0129   1.2211  489.583   50.510  465.748   50.995 23.83499 71.77559 
1 1 1   25   41    4 o  419.567   36.261   4.8955   0.7797   4.4797   1.1036   5.3097   1.1016  400.296   53.624  438.838   48.826 -38.54211 72.52269 
1 1 1   25   41    6 o  223.433   48.362   1.1036   0.5253   0.7521   0.5881   2.4903   1.1681  166.436   57.038  280.430   78.118 -113.9937 96.72487 
1 1 1   25   41    8 o  370.157   37.318   3.8261   0.7087   4.1775   1.0248   3.5039   0.9812  387.146   51.484  353.168   54.037 33.97736 74.63654 
1 1 1   25   41   10 o  169.497   36.694   0.7873   0.3736   1.1801   0.5282   0.3943   0.5284  202.096   50.875  136.898   52.890 65.19829 73.38703 
1 1 1   25   41   12 o  128.032   33.283   0.3606   0.2981   0.5603   0.4189   0.1557   0.4244  144.206   48.145  111.857   45.967 32.34941 66.56522 
1 1 1   25   41   14 o  305.834   37.280   2.7125   0.5601   2.0607   0.7954   3.3539   0.7890  262.333   60.244  349.334   43.930 -87.00082 74.56006 
1 1 1   25   41   16 o  215.674   37.526   1.3681   0.4279   1.8873   0.6147   0.8804   0.5959  256.561   48.379  174.786   57.379 81.77534 75.05249 
1 1 1   25   41   18 o  186.533   41.498   1.0434   0.4431   0.9265   0.7044   1.1199   0.5701  179.081   62.366  193.986   54.761 -14.90558 82.99612 
1 1 1   25   41   20 o  191.280   48.863   0.9583   0.5088   0.8625   0.5611   1.4015   1.2070  171.528   55.652  211.033   80.333 -39.50479 97.72643 
1 1 1   25   42    1 o  677.023   35.257   12.742   1.2272   12.681   1.7270   12.805   1.7442  675.520   49.725  678.526   49.998 -3.005432 70.51456 
1 1 1   25   42    3 o  122.953   32.151   0.2700   0.2864   0.5972   0.4259   0.0000   0.3869  148.062   48.506   97.843   42.213 50.21820 64.30195 
1 1 1   25   42    5 o  333.240   53.938   4.3710   0.9567   5.3548   1.0976   1.2597   1.9519  439.369   48.588  227.111   96.314 212.2581 107.8760 
1 1 1   25   42    7 o  493.645   37.945   6.9008   0.9404   8.7204   1.3581   5.2246   1.3035  561.563   47.039  425.728   59.553 135.8348 75.88949 
1 1 1   25   42    9 o  475.525   34.234   6.2547   0.8334   5.8904   1.1182   6.7101   1.2501  460.949   47.186  490.101   49.612 -29.15173 68.46758 
1 1 1   25   42   11 o  812.056   34.563   18.505   1.4329   19.264   1.9466   17.607   2.1169  834.854   45.352  789.259   52.168 45.59509 69.12550 
1 1 1   25   42   13 o  462.680   36.763   6.0914   0.8651   6.2421   1.1552   5.8990   1.3054  472.780   47.527  452.580   56.101 20.20020 73.52615 
1 1 1   25   42   15 o  521.118   36.880   7.7438   0.9594   7.7386   1.5429   7.7470   1.2250  514.523   58.325  527.712   45.152 -13.18866 73.75970 
1 1 1   25   42   17 o  363.671   48.595   4.1564   0.8005   4.0137   1.4741   4.2161   0.9533  340.983   84.514  386.359   47.991 -45.37567 97.18909 
1 1 1   25   42   19 o  122.895   33.655   0.3022   0.3024   0.4592   0.4648   0.1870   0.3982  135.594   50.223  110.196   44.815 25.39831 67.31053 
1 1 1   25   43    0 o  322.400   66.128   3.2291   0.9062   2.5310   1.0845   4.8442   1.6496  264.960   89.113  379.840   97.728 -0.000000 0.000000 
1 1 1   25   43    2 o  201.789   47.905   1.2577   0.5567   1.4045   0.6172   0.6178   1.2887  218.158   55.035  185.420   78.425 32.73865 95.80901 
1 1 1   25   43    4 o  189.967   47.359   1.0432   0.5179   1.1291   0.5694   0.6318   1.2461  195.876   54.534  184.057   77.444 11.81856 94.71861 
1 1 1   25   43    6 o  320.862   38.497   2.9622   0.6210   3.1813   0.8936   2.7574   0.8638  335.504   51.804  306.220   56.961 29.28494 76.99483 
1 1 1   25   43    8 o  179.249   38.462   0.9047   0.3984   1.2841   0.5881   0.5830   0.5415  208.265   54.349  150.234   54.438 58.03087 76.92388 
1 1 1   25   43   10 o  358.509   39.672   3.8494   0.6798   4.9741   0.9470   2.6537   0.9764  424.439   43.396  292.580   66.426 131.8591 79.34483 
1 1 1   25   43   12 o  257.871   40.856   1.9889   0.5276   1.8033   0.7182   2.2065   0.7777  244.386   58.028  271.355   57.528 -26.96957 81.71101 
1 1 1   25   43   14 o  264.169   44.247   2.1374   0.5792   2.2622   0.9393   2.0609   0.7357  266.264   68.288  262.074   56.283 4.189880 88.49338 
1 1 1   25   43   16 o  193.758   39.968   1.1829   0.4420   0.7421   0.7095   1.4626   0.5651  165.289   61.885  222.227   50.596 -56.93803 79.93568 
1 1 1   25   44    1 o  167.088   50.857   0.3385   0.7999   0.0000   1.1821   0.6245   1.0864  158.287   70.799  175.889   73.030 -17.60210 101.7146 
1 1 1   25   44    3 o  349.764   46.475   3.9124   0.7827   2.8453   1.2181   4.6628   1.0215  292.470   79.103  407.058   48.809 -114.5875 92.94998 
1 1 1   25   44    5 o  196.157   41.594   1.0538   0.4540   1.6668   0.7458   0.6928   0.5723  233.197   61.369  159.117   56.160 74.08018 83.18756 
1 1 1   25   44    7 o  343.251   40.865   3.4620   0.6993   4.0756   1.0207   2.9191   0.9602  377.186   52.632  309.316   62.527 67.86954 81.72974 
1 1 1   25   44    9 o  122.644   33.842   0.2907   0.3208   0.0000   0.5147   0.4755   0.4103  110.455   48.164  134.833   47.555 -24.37801 67.68452 
1 1 1   25   44   11 o  254.543   42.691   1.8420   0.5574   2.9920   0.9109   1.1536   0.7047  315.118   58.375  193.969   62.309 121.1487 85.38140 
1 1 1   25   45    0 o  318.769   73.779   3.6029   0.9903   4.3752   1.8980   3.3141   1.1608  322.268  122.077  315.269   82.891 0.000000 0.000000 
1 1 1   25   45    2 o  188.277   43.126   1.1565   0.5256   0.0000   1.1025   1.4968   0.5980  152.332   68.237  224.222   52.754 -71.88931 86.25154 
1 1 1   25   45    4 o  160.314   43.851   0.4507   0.4099   1.2006   0.9840   0.2933   0.4509  198.178   73.140  122.451   48.398 75.72649 87.70277 
1 1 1   25   45    6 o  355.426   52.544   3.4925   0.8287   5.7943   1.7109   2.7869   0.9472  411.401   83.735  299.451   63.497 111.9501 105.0871 
1 1 1   25   45    8 o  267.601   50.212   2.1884   0.6505   2.8188   1.2262   1.9415   0.7674  284.870   80.280  250.333   60.332 34.53609 100.4232 
1 1 1   26    0    0 o  1925.70   72.129   96.111   7.1184   96.111   7.1184   0.0000   0.0000  1925.70   72.129  1925.70   72.129 0.000000 0.000000 
1 1 1   26    0    2 o  1201.82   51.200   37.864   3.1339   38.776   4.3708   36.898   4.4959  1217.52   70.364  1186.13   74.395 -0.000000 0.000000 
1 1 1   26    0    4 o  2167.64   67.300  121.994   7.4838  121.994   7.4838   0.0000   0.0000  2167.64   67.300  2167.64   67.300 -0.000000 0.000000 
1 1 1   26    0    6 o  1026.94   64.644   27.612   3.3820   27.612   3.3820   0.0000   0.0000  1026.94   64.644  1026.94   64.644 -0.000000 0.000000 
1 1 1   26    0    8 o  2154.30   59.987  120.319   6.6324   0.0000   0.0000  120.319   6.6324  2154.30   59.987  2154.30   59.987 0.000000 0.000000 
1 1 1   26    0   10 o  1114.14   47.348   32.306   2.6090   33.392   4.2655   31.656   3.2979  1126.72   74.380  1101.56   58.610 0.000000 0.000000 
1 1 1   26    0   12 o  215.958   61.034   1.6382   0.6463   1.4751   0.8302   1.8891   1.0295  202.180   81.733  229.736   90.666 -0.000000 0.000000 
1 1 1   26    0   14 o  749.592   47.848   15.006   1.7550   14.664   2.8168   15.223   2.2437  739.146   75.962  760.039   58.204 0.000000 0.000000 
1 1 1   26    0   16 o  557.102   80.410   8.5810   2.1637   8.5810   2.1637   0.0000   0.0000  557.102   80.410  557.102   80.410 0.000000 0.000000 
1 1 1   26    0   18 o  111.135   62.137   0.4348   0.5314   0.0000   0.0000   0.4348   0.5314  111.135   62.137  111.135   62.137 0.000000 0.000000 
1 1 1   26    0   20 o  861.257   44.529   19.403   1.9332   17.951   2.5523   21.357   2.9609  824.036   61.013  898.477   64.876 -0.000000 0.000000 
1 1 1   26    0   22 f  702.874   45.410   13.233   1.5954   13.444   2.1365   12.967   2.3985  711.339   59.372  694.408   68.726 -0.000000 0.000000 
1 1 1   26    0   24 o  243.559   62.424   2.0331   0.7178   2.4232   1.0975   1.7415   0.9488  268.070   89.373  219.047   87.175 0.000000 0.000000 
1 1 1   26    0   26 o  448.190   49.899   5.6351   1.0595   5.7142   1.5739   5.5695   1.4328  449.263   74.232  447.116   66.701 0.000000 0.000000 
1 1 1   26    0   28 o  162.946   53.225   1.0219   0.4915   1.0522   0.6926   0.9912   0.6976  165.828   75.225  160.064   75.317 0.000000 0.000000 
1 1 1   26    0   30 o  166.352   80.381   1.0863   0.8000   1.0863   0.8000   0.0000   0.0000  166.352   80.381  166.352   80.381 0.000000 0.000000 
1 1 1   26    0   32 o  964.365   61.481   24.859   3.0199   24.859   3.0199   0.0000   0.0000  964.365   61.481  964.365   61.481 -0.000000 0.000000 
1 1 1   26    0   34 o  410.720   55.692   5.0247   1.0212   6.0626   1.4459   3.9917   1.4425  466.199   63.694  355.240   91.375 -0.000000 0.000000 
1 1 1   26    0   36 f  101.421   42.475   0.2827   0.4016   0.0000   0.6153   0.4925   0.5302   88.400   57.260  114.443   62.753 -0.000000 0.000000 
1 1 1   26    0   38 f  109.979   45.771   0.3747   0.4401   0.2573   0.5954   0.5162   0.6536  100.334   61.180  119.624   68.095 -0.000000 0.000000 
1 1 1   26    0   40 o  544.720   51.160   8.4763   1.3167   10.262   1.8876   6.7834   1.8377  610.035   61.625  479.405   81.681 -0.000000 0.000000 
1 1 1   26    0   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   44 o  148.732   70.752   0.8929   0.6174   0.0000   0.0000   0.8929   0.6174  148.732   70.752  148.732   70.752 -0.000000 0.000000 
1 1 1   26    0   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1    1 o  323.075   39.306   2.7672   0.6318   3.2742   0.9012   2.2772   0.8860  355.545   49.302  290.606   61.230 64.93948 78.61162 
1 1 1   26    1    3 o  622.131   35.880   10.061   1.1422   8.9470   1.6161   11.174   1.6145  587.318   53.521  656.943   47.802 -69.62531 71.76025 
1 1 1   26    1    5 o  318.326   48.476   2.7002   0.8164   4.3465   1.1889   1.2315   1.1230  409.115   56.522  227.537   78.773 181.5779 96.95282 
1 1 1   26    1    7 o  554.367   43.938   8.0016   1.2516   8.0188   1.8001   7.9856   1.7415  554.832   63.107  553.902   61.154 0.9303589 87.87646 
1 1 1   26    1    9 o  1608.47   32.493   67.035   2.6861   65.803   3.8236   68.236   3.7743  1593.68   46.667  1623.26   45.225 -29.58533 64.98541 
1 1 1   26    1   11 o  892.273   32.385   20.636   1.4856   20.603   2.1098   20.670   2.0922  891.509   46.031  893.037   45.567 -1.528809 64.77072 
1 1 1   26    1   13 o  347.441   34.583   3.1466   0.6114   2.5974   0.8540   3.7239   0.8755  315.951   52.576  378.930   44.941 -62.97882 69.16580 
1 1 1   26    1   15 o  375.035   49.221   4.1220   0.8216   2.9881   1.5030   4.6052   0.9812  328.947   87.391  421.123   45.319 -92.17654 98.44269 
1 1 1   26    1   17 o  324.822   48.283   2.7474   0.8063   2.7474   0.8063   0.0000   0.0000  324.822   48.283  ?   ?       ?      ? 
1 1 1   26    1   19 o  277.790   41.561   1.9792   0.5578   2.6151   0.9449   1.6392   0.6910  310.191   61.422  245.390   56.005 64.80157 83.12127 
1 1 1   26    1   21 o  560.243   31.520   8.1812   0.9078   8.1521   1.2719   8.2114   1.2960  559.286   44.234  561.199   44.916 -1.912903 63.04062 
1 1 1   26    1   23 o  494.285   31.622   6.3780   0.8026   5.9477   1.1211   6.8303   1.1494  477.017   45.714  511.552   43.704 -34.53516 63.24370 
1 1 1   26    1   25 o  323.794   34.500   2.7974   0.5564   2.3729   0.7796   3.2379   0.7942  295.797   53.223  351.791   43.911 -55.99420 68.99915 
1 1 1   26    1   27 o  591.216   30.960   9.1658   0.9404   8.7092   1.3185   9.6387   1.3417  576.030   44.520  606.402   43.034 -30.37231 61.91936 
1 1 1   26    1   29 o  233.564   40.540   1.2152   0.4679   2.4859   0.8828   0.7189   0.5517  299.874   59.363  167.254   55.228 132.6199 81.08079 
1 1 1   26    1   31 o  388.145   45.008   3.9828   0.8982   3.9828   0.8982   0.0000   0.0000  388.145   45.008  ?   ?       ?      ? 
1 1 1   26    1   33 f  745.677   30.771   14.729   1.1791   14.233   1.6702   15.221   1.6647  732.753   44.335  758.599   42.682 -25.84589 61.54162 
1 1 1   26    1   35 o  356.714   33.143   3.4166   0.6034   3.8236   0.8458   2.9949   0.8610  379.430   43.358  333.998   50.140 45.43143 66.28638 
1 1 1   26    1   37 o  177.026   35.542   0.8564   0.3478   0.5935   0.4852   1.1342   0.4987  152.422   51.810  201.630   48.667 -49.20819 71.08326 
1 1 1   26    1   39 o  589.784   31.686   9.3598   0.9540   10.686   1.3581   8.0685   1.3404  632.771   41.745  546.798   47.679 85.97296 63.37123 
1 1 1   26    1   41 f  385.672   52.109   4.4409   0.9953   4.6692   1.4101   4.2142   1.4051  397.191   71.688  374.152   75.644 23.03888 104.2171 
1 1 1   26    1   43 f  250.482   49.037   1.9082   0.6547   2.0403   0.9095   1.7662   0.9431  260.077   67.448  240.887   71.199 19.18941 98.07371 
1 1 1   26    1   45 o  196.254   41.006   1.1080   0.4259   1.2174   0.7342   1.0525   0.5228  202.167   63.446  190.341   51.966 11.82666 82.01103 
1 1 1   26    1   47 o  133.349   53.814   0.3210   0.5692   0.0000   0.0000   0.3210   0.5692  ?   ?   133.349   53.814      ?      ? 
1 1 1   26    2    0 o  1943.07   50.987   97.648   5.0856   0.0000   0.0000   97.648   5.0856  1943.07   50.987  1943.07   50.987 -0.000000 0.000000 
1 1 1   26    2    2 o  1656.55   35.490   71.107   3.0222   70.267   4.2885   71.936   4.2598  1646.70   50.655  1666.39   49.722 -19.69116 70.97992 
1 1 1   26    2    4 o  630.369   48.677   10.342   1.5730   11.502   2.2829   9.2930   2.1706  664.204   66.851  596.533   70.773 67.67108 97.35472 
1 1 1   26    2    6 o  334.853   48.697   3.0651   0.8199   2.2774   1.2033   3.7476   1.1201  289.932   78.707  379.775   57.367 -89.84366 97.39500 
1 1 1   26    2    8 o  159.514   37.975   0.6273   0.3617   0.4450   0.6343   0.7151   0.4403  154.175   58.345  164.852   48.624 -10.67659 75.95006 
1 1 1   26    2   10 o  674.569   32.653   11.794   1.1291   13.012   1.6162   10.632   1.5782  708.806   44.350  640.331   47.938 68.47455 65.30693 
1 1 1   26    2   12 o  561.198   42.928   8.1489   1.1136   8.3885   2.1104   8.0564   1.3110  565.016   72.651  557.379   45.750 7.636597 85.85570 
1 1 1   26    2   14 f  718.939   45.868   13.454   1.6543   13.982   2.6682   13.125   2.1085  728.884   71.201  708.994   57.844 19.89032 91.73558 
1 1 1   26    2   16 o  469.833   39.388   6.1175   0.8870   7.0916   1.1325   4.5717   1.4266  522.794   42.133  416.873   66.563 105.9208 78.77667 
1 1 1   26    2   18 o  687.861   39.995   11.572   1.2941   10.487   1.5170   14.472   2.4801  634.656   46.491  741.067   65.093 -106.4117 79.99089 
1 1 1   26    2   20 o  600.746   39.732   10.066   1.1330   7.6467   1.8679   11.474   1.4250  537.261   67.625  664.231   41.729 -126.9699 79.46376 
1 1 1   26    2   22 o  652.805   35.748   10.949   1.1613   10.345   1.4517   12.023   1.9352  629.606   44.848  676.005   55.681 -46.39923 71.49598 
1 1 1   26    2   24 o  630.396   31.075   10.395   0.9998   8.8307   1.3916   12.064   1.4374  580.677   46.614  680.115   41.107 -99.43787 62.15020 
1 1 1   26    2   26 o  185.194   36.533   0.9069   0.3749   0.5626   0.5174   1.2875   0.5440  153.423   53.448  216.965   49.818 -63.54221 73.06541 
1 1 1   26    2   28 f  540.786   31.025   7.6846   0.8611   7.1124   1.2080   8.2756   1.2278  519.964   45.189  561.608   42.524 -41.64386 62.05053 
1 1 1   26    2   30 o  287.954   41.527   2.3361   0.5774   2.5050   0.7205   2.0330   0.9651  308.002   45.501  267.906   69.482 40.09604 83.05434 
1 1 1   26    2   32 f  404.072   47.549   4.5486   0.9620   4.7919   1.3310   4.2824   1.3920  419.951   61.648  388.193   72.409 31.75763 95.09789 
1 1 1   26    2   34 o  323.625   33.045   2.8027   0.5473   3.0054   0.7598   2.5842   0.7890  336.504   43.920  310.747   49.386 25.75720 66.09091 
1 1 1   26    2   36 o  186.926   34.688   0.9557   0.3508   1.3512   0.5077   0.5946   0.4852  221.165   46.139  152.686   51.811 68.47971 69.37696 
1 1 1   26    2   38 o  356.504   42.728   3.4965   0.7057   3.3939   0.8478   3.7280   1.2732  355.552   46.379  357.457   71.775 -1.905914 85.45556 
1 1 1   26    2   40 o  317.776   50.645   2.9974   0.8475   1.8565   1.1889   4.1759   1.2083  248.969   81.017  386.582   60.794 -137.6125 101.2900 
1 1 1   26    2   42 o  220.627   66.606   1.4364   0.8189   1.4364   0.8189   0.0000   0.0000  220.627   66.606  ?   ?       ?      ? 
1 1 1   26    2   44 o  297.423   42.409   2.5635   0.7425   0.3000   1.0149   5.1710   1.0893  162.600   69.220  432.246   49.017 -269.6467 84.81738 
1 1 1   26    2   46 o  177.685   40.195   0.8094   0.3883   0.6193   0.4613   1.2713   0.7191  150.332   50.523  205.038   62.531 -54.70535 80.39061 
1 1 1   26    2   48 o  336.547   53.490   3.7419   0.9035   3.5179   1.2698   3.9716   1.2859  324.257   77.265  348.837   73.993 -24.58078 106.9809 
1 1 1   26    3    1 o  388.191   41.549   4.0918   0.7725   5.4719   1.0929   2.7134   1.0922  459.827   46.229  316.556   69.052 143.2711 83.09862 
1 1 1   26    3    3 o  327.780   46.317   2.9297   0.7293   3.1092   0.9068   2.6008   1.2272  346.361   50.922  309.198   77.382 37.16354 92.63393 
1 1 1   26    3    5 o  663.052   46.509   11.462   1.5803   11.439   2.3286   11.481   2.1517  662.063   68.411  664.041   63.025 -1.977539 93.01778 
1 1 1   26    3    7 o  1003.51   43.525   26.103   2.2381   27.642   3.3339   24.840   3.0198  1030.02   62.956  977.003   60.119 53.01715 87.05009 
1 1 1   26    3    9 o  936.443   44.085   23.362   1.8718   21.789   3.5657   23.960   2.1992  910.963   76.134  961.924   44.469 -50.96088 88.16945 
1 1 1   26    3   11 o  510.952   52.516   7.8160   1.1014   5.3767   2.1089   8.7310   1.2916  441.310   95.705  580.594   43.270 -139.2843 105.0318 
1 1 1   26    3   13 o  955.961   45.948   23.882   2.1918   24.171   3.5634   23.705   2.7798  958.489   72.312  953.433   56.709 5.055542 91.89628 
1 1 1   26    3   15 o  384.774   33.842   3.8595   0.6673   3.5208   0.9474   4.1928   0.9399  367.773   50.107  401.775   45.502 -34.00180 67.68462 
1 1 1   26    3   17 o  916.896   31.375   21.855   1.4785   21.955   2.0650   21.749   2.1177  919.201   43.696  914.590   45.037 4.611572 62.75097 
1 1 1   26    3   19 o  269.759   52.148   1.9647   0.6971   1.9647   0.6971   0.0000   0.0000  269.759   52.148  ?   ?       ?      ? 
1 1 1   26    3   21 o  426.904   37.515   4.5598   0.7964   5.6607   1.3518   3.9746   0.9855  463.954   56.674  389.853   49.170 74.10144 75.03052 
1 1 1   26    3   23 f  649.906   36.418   10.787   1.1810   12.352   1.9677   9.9052   1.4766  684.511   55.913  615.302   46.677 69.20862 72.83575 
1 1 1   26    3   25 o  246.246   36.012   1.6485   0.4411   1.3878   0.6106   1.9331   0.6379  224.988   53.559  267.504   48.155 -42.51540 72.02397 
1 1 1   26    3   27 o  458.866   31.452   5.5420   0.7400   5.8555   1.0310   5.2089   1.0627  472.717   42.421  445.016   46.448 27.70114 62.90429 
1 1 1   26    3   29 o  445.106   44.098   5.3320   1.0067   5.8482   1.4478   4.8489   1.4006  466.588   60.356  423.625   64.309 42.96304 88.19543 
1 1 1   26    3   31 o  192.535   37.053   1.0223   0.3765   1.0407   0.5393   1.0048   0.5259  194.154   52.681  190.915   52.118 3.239212 74.10565 
1 1 1   26    3   33 o  333.270   41.063   3.1165   0.6483   2.8444   1.0854   3.2674   0.8084  315.615   68.827  350.925   44.804 -35.30966 82.12502 
1 1 1   26    3   35 o  226.680   36.132   1.4378   0.4130   1.1780   0.5844   1.6971   0.5837  205.060   54.499  248.299   47.455 -43.23932 72.26453 
1 1 1   26    3   37 o  311.632   47.307   3.0742   0.7147   3.6804   0.8749   1.8584   1.2392  370.814   45.893  252.449   82.739 118.3642 94.61458 
1 1 1   26    3   39 o  375.247   50.592   4.0582   0.9514   3.2635   1.2988   4.9785   1.3977  329.358   77.917  421.137   64.553 -91.77875 101.1841 
1 1 1   26    3   41 o  336.872   72.725   3.4009   1.2227   3.4009   1.2227   0.0000   0.0000  336.872   72.725  ?   ?       ?      ? 
1 1 1   26    3   43 o  431.441   49.086   5.5211   1.0606   5.9194   1.4868   5.1085   1.5134  453.291   63.797  409.592   74.616 43.69864 98.17145 
1 1 1   26    3   45 f  173.496   42.017   0.8143   0.4315   0.7518   0.5265   0.9423   0.7529  163.940   53.942  183.052   64.435 -19.11234 84.03349 
1 1 1   26    3   47 o  159.524   39.315   0.6172   0.3596   0.4857   0.4192   0.9836   0.6998  136.344   48.072  182.704   62.223 -46.36086 78.62920 
1 1 1   26    4    0 o  1296.95   72.247   43.994   4.7833   0.0000   0.0000   43.994   4.7833  1296.95   72.247  1296.95   72.247 -0.000000 0.000000 
1 1 1   26    4    2 o  448.040   52.786   5.3452   1.1739   6.4531   1.6916   4.3160   1.6303  497.585   66.123  398.495   82.300 99.09003 105.5725 
1 1 1   26    4    4 o  541.171   64.535   7.6301   1.7956   0.0000   0.0000   7.6301   1.7956  ?   ?   541.171   64.535      ?      ? 
1 1 1   26    4    6 o  691.370   58.913   12.432   2.0941   0.0000   0.0000   12.432   2.0941  ?   ?   691.370   58.913      ?      ? 
1 1 1   26    4    8 o  1073.76   74.921   30.240   4.1360   0.0000   0.0000   30.240   4.1360  ?   ?   1073.76   74.921      ?      ? 
1 1 1   26    4   10 o  940.086   47.579   23.405   2.1982   22.109   3.6358   24.152   2.7597  916.727   77.143  963.445   55.714 -46.71777 95.15800 
1 1 1   26    4   12 o  490.764   40.219   6.7022   0.9452   8.0638   1.2259   4.7066   1.4842  557.878   42.743  423.650   68.141 134.2282 80.43732 
1 1 1   26    4   14 o  315.652   34.840   2.5924   0.5651   2.5483   0.8078   2.6346   0.7908  312.953   50.205  318.350   48.318 -5.397095 69.67904 
1 1 1   26    4   16 o  292.286   36.215   2.2603   0.5317   2.0591   0.7407   2.4743   0.7637  276.257   54.083  308.314   48.178 -32.05740 72.42966 
1 1 1   26    4   18 o  171.064   37.300   0.7647   0.3616   0.8341   0.5043   0.6913   0.5188  177.113   51.984  165.014   53.507 12.09859 74.60094 
1 1 1   26    4   20 o  886.210   40.655   20.447   1.6583   20.202   1.9474   21.091   3.1630  880.971   42.995  891.448   69.013 -10.47742 81.31017 
1 1 1   26    4   22 o  556.402   37.791   8.1388   1.0342   8.1160   1.7325   8.1514   1.2890  554.022   60.823  558.782   44.869 -4.759888 75.58191 
1 1 1   26    4   24 o  501.531   32.727   6.6615   0.8336   7.5678   1.1543   5.6734   1.2052  538.464   41.694  464.598   50.455 73.86588 65.45309 
1 1 1   26    4   26 o  347.249   32.928   3.1614   0.5797   2.5041   0.7953   3.9067   0.8468  308.199   50.191  386.298   42.638 -78.09900 65.85693 
1 1 1   26    4   28 o  356.487   47.800   3.5033   0.8547   4.0761   1.2215   2.9538   1.1964  389.861   60.943  323.114   73.657 66.74658 95.59987 
1 1 1   26    4   30 o  388.601   32.663   3.9798   0.6511   3.6339   0.8956   4.3676   0.9484  370.555   47.010  406.648   45.361 -36.09274 65.32652 
1 1 1   26    4   32 o  321.874   42.213   2.6713   0.6324   2.3065   0.7551   3.5283   1.1574  289.522   52.670  354.227   65.981 -64.70569 84.42514 
1 1 1   26    4   34 o  431.445   49.859   5.3223   1.0593   6.1457   1.4607   4.4086   1.5386  474.702   59.850  388.187   79.761 86.51501 99.71848 
1 1 1   26    4   36 o  423.443   46.112   5.3283   0.8690   5.8360   1.0551   4.2573   1.5324  468.131   43.838  378.755   81.140 89.37592 92.22480 
1 1 1   26    4   38 o  648.187   39.400   11.462   1.2403   11.607   2.1322   11.389   1.5249  644.695   64.327  651.678   45.512 -6.982422 78.79917 
1 1 1   26    4   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   42 o  265.927   42.784   2.0977   0.5663   2.2689   0.7082   1.7942   0.9432  288.118   47.809  243.736   70.965 44.38248 85.56728 
1 1 1   26    4   44 o  299.010   50.559   2.7792   0.7780   2.1329   1.0993   3.4279   1.1013  259.520   76.909  338.500   65.650 -78.98029 101.1181 
1 1 1   26    4   46 f  201.241   41.622   1.1744   0.4296   1.1247   0.5095   1.2967   0.7990  196.312   50.261  206.170   66.359 -9.858185 83.24427 
1 1 1   26    4   48 o  198.643   42.688   1.0873   0.4527   0.8134   0.5459   1.6903   0.8101  166.838   54.930  230.448   65.359 -63.60997 85.37665 
1 1 1   26    5    1 o  1421.04   50.970   53.204   3.6904   46.292   5.3092   59.665   5.1333  1329.13   77.695  1512.95   65.994 -183.8179 101.9397 
1 1 1   26    5    3 o  940.132   41.901   22.165   1.9072   25.399   3.4083   20.691   2.3012  986.763   67.181  893.502   50.095 93.26154 83.80241 
1 1 1   26    5    5 o  998.642   59.888   25.947   3.0748   0.0000   0.0000   25.947   3.0748  ?   ?   998.642   59.888      ?      ? 
1 1 1   26    5    7 o  1252.31   43.118   40.641   2.7486   42.308   4.2289   39.421   3.6168  1273.44   64.591  1231.19   57.138 42.25488 86.23689 
1 1 1   26    5    9 o  1538.39   36.626   61.433   2.8574   61.257   3.7436   61.678   4.4229  1537.04   47.373  1539.73   55.871 -2.688110 73.25198 
1 1 1   26    5   11 o  470.465   33.476   5.7505   0.8082   5.6087   1.1705   5.8798   1.1173  464.758   48.986  476.172   45.638 -11.41376 66.95179 
1 1 1   26    5   13 o  409.934   33.888   4.3729   0.7100   4.9830   1.0155   3.7894   0.9932  438.202   45.075  381.667   50.613 56.53519 67.77505 
1 1 1   26    5   15 o  1050.81   31.824   28.690   1.7189   28.936   2.4106   28.434   2.4517  1055.56   44.419  1046.07   45.587 9.480103 63.64901 
1 1 1   26    5   17 o  190.194   37.066   0.9795   0.3815   1.2071   0.5240   0.7226   0.5567  211.065   49.196  169.324   55.454 41.74123 74.13108 
1 1 1   26    5   19 o  423.857   33.195   4.7342   0.7146   5.4356   0.9953   3.9879   1.0267  457.167   42.346  390.548   51.132 66.61926 66.38976 
1 1 1   26    5   21 o  423.718   38.524   4.0331   0.7670   3.1285   0.8904   6.6351   1.5101  345.680   50.098  501.755   58.538 -156.0757 77.04890 
1 1 1   26    5   23 o  555.787   36.851   7.7185   1.0206   9.8363   1.7232   6.5742   1.2667  610.921   54.864  500.654   49.212 110.2675 73.70160 
1 1 1   26    5   25 o  181.240   36.283   0.8829   0.3611   1.1261   0.5106   0.6395   0.5108  202.989   49.392  159.491   53.162 43.49791 72.56542 
1 1 1   26    5   27 o  367.661   46.118   3.6885   0.8533   3.5137   1.2030   3.8655   1.2105  355.491   68.302  379.831   61.986 -24.34027 92.23519 
1 1 1   26    5   29 o  570.919   31.330   8.6062   0.9172   8.9803   1.2721   8.2010   1.3238  584.474   42.333  557.363   46.197 27.11151 62.65955 
1 1 1   26    5   31 o  221.781   44.803   1.3638   0.4912   1.3912   0.5648   1.2788   0.9957  224.438   50.201  219.124   74.224 5.314102 89.60652 
1 1 1   26    5   33 o  246.754   45.776   1.7506   0.5457   1.8120   0.6352   1.5773   1.0666  256.375   49.984  237.133   76.703 19.24123 91.55171 
1 1 1   26    5   35 o  411.396   38.257   4.2799   0.7804   5.8558   1.3362   3.4641   0.9614  464.373   55.968  358.419   52.171 105.9537 76.51322 
1 1 1   26    5   37 o  352.447   51.711   3.6836   0.9235   4.8056   1.2869   2.4922   1.3261  417.743   59.918  287.152   84.297 130.5918 103.4223 
1 1 1   26    5   39 o  260.767   70.073   2.0081   0.9596   2.0081   0.9596   0.0000   0.0000  260.767   70.073  ?   ?       ?      ? 
1 1 1   26    5   41 o  168.685   39.145   0.8046   0.4060   1.0169   0.4836   0.2979   0.7473  189.540   49.197  147.831   60.901 41.70914 78.28937 
1 1 1   26    5   43 o  279.518   44.478   2.5157   0.6227   3.0161   0.7671   1.5485   1.0665  332.590   44.862  226.447   76.814 106.1431 88.95544 
1 1 1   26    5   45 o  206.355   45.796   1.2800   0.5529   1.5673   0.7656   0.9668   0.7994  227.262   63.222  185.449   66.272 41.81215 91.59172 
1 1 1   26    5   47 o  245.821   52.202   1.9800   0.7126   1.9550   0.9951   2.0063   1.0208  244.566   73.330  247.076   74.315 -2.509735 104.4036 
1 1 1   26    6    0 o  771.258   51.940   15.565   2.0381   0.0000   0.0000   15.565   2.0381  771.258   51.940  771.258   51.940 -0.000000 0.000000 
1 1 1   26    6    2 o  635.640   51.390   10.477   1.6794   10.477   1.6794   0.0000   0.0000  635.640   51.390  ?   ?       ?      ? 
1 1 1   26    6    4 o  363.974   54.881   3.5984   1.0217   4.7889   1.4454   2.4098   1.4443  428.488   65.613  299.460   87.992 129.0286 109.7618 
1 1 1   26    6    6 o  669.871   68.698   11.730   2.3659   11.730   2.3659   0.0000   0.0000  669.871   68.698  ?   ?       ?      ? 
1 1 1   26    6    8 o  255.416   41.313   1.5385   0.5179   2.6715   0.9167   1.0071   0.6277  315.418   58.686  195.414   58.164 120.0043 82.62591 
1 1 1   26    6   10 o  913.667   37.858   21.362   1.7015   22.914   2.9013   20.549   2.1006  937.128   60.219  890.206   45.897 46.92206 75.71514 
1 1 1   26    6   12 o  1138.48   36.952   34.095   2.1098   35.549   2.7353   31.959   3.3150  1170.48   45.454  1106.48   58.274 63.99658 73.90486 
1 1 1   26    6   14 o  1049.38   31.769   28.610   1.7124   27.137   2.4172   30.093   2.4262  1022.01   46.003  1076.75   43.827 -54.74609 63.53808 
1 1 1   26    6   16 o  496.838   32.862   6.4756   0.8314   7.3536   1.1616   5.5535   1.1905  532.146   42.457  461.529   50.171 70.61737 65.72454 
1 1 1   26    6   18 o  504.737   33.011   6.7423   0.8424   7.7908   1.1608   5.5756   1.2245  547.599   41.229  461.875   51.565 85.72318 66.02107 
1 1 1   26    6   20 o  220.178   38.454   1.3375   0.4323   1.4686   0.5734   1.1649   0.6579  232.758   49.442  207.598   58.910 25.15973 76.90836 
1 1 1   26    6   22 f  790.110   40.855   16.363   1.4733   16.230   1.7235   16.724   2.8394  788.918   42.492  791.303   69.793 -2.384766 81.71081 
1 1 1   26    6   24 o  950.671   30.407   23.539   1.4803   20.778   2.0337   26.651   2.1589  891.060   44.392  1010.28   41.565 -119.2217 60.81316 
1 1 1   26    6   26 o  480.095   43.088   6.1660   1.0613   5.8155   1.5161   6.5029   1.4863  465.987   63.282  494.203   58.496 -28.21518 86.17655 
1 1 1   26    6   28 o  540.251   38.534   7.1563   0.9769   6.3649   1.1409   9.3309   1.8912  491.631   45.138  588.871   62.466 -97.24005 77.06842 
1 1 1   26    6   30 o  254.565   47.405   1.8748   0.5812   1.9714   0.6707   1.5835   1.1641  268.300   50.477  240.830   80.255 27.47055 94.80946 
1 1 1   26    6   32 o  415.676   42.297   4.9569   0.8136   4.0479   1.3534   5.4713   1.0182  376.657   72.520  454.694   43.554 -78.03705 84.59406 
1 1 1   26    6   34 o  425.415   49.090   5.1092   1.0417   5.2566   1.4089   4.9315   1.5473  437.593   62.622  413.237   75.615 24.35617 98.17969 
1 1 1   26    6   36 o  246.792   47.090   1.8263   0.5873   1.9881   0.6916   1.4080   1.1120  267.237   52.207  226.346   78.384 40.89104 94.17923 
1 1 1   26    6   38 o  313.903   50.059   2.8916   0.7883   2.9026   1.0964   2.8797   1.1341  315.163   69.530  312.642   72.036 2.520996 100.1180 
1 1 1   26    6   40 o  527.966   44.123   8.2114   1.0661   8.8309   1.2867   6.8549   1.9039  572.956   43.680  482.976   76.676 89.97955 88.24509 
1 1 1   26    6   42 o  219.336   42.859   1.2811   0.4724   1.0296   0.5668   1.8536   0.8550  189.540   54.959  249.132   65.781 -59.59117 85.71812 
1 1 1   26    6   44 o  418.534   39.716   4.5063   0.8120   3.4844   0.9807   6.7341   1.4480  351.484   54.271  485.584   58.002 -134.0997 79.43222 
1 1 1   26    6   46 o  144.376   36.745   0.4845   0.2974   0.4374   0.3337   0.6663   0.6558  128.223   42.972  160.528   59.616 -32.30504 73.48906 
1 1 1   26    7    1 o  551.362   53.731   8.0112   1.5128   8.9529   2.1225   7.0388   2.1569  585.211   70.545  517.513   81.065 67.69781 107.4626 
1 1 1   26    7    3 o  522.995   48.546   7.7605   1.1227   6.0003   1.9926   8.5791   1.3589  470.396   85.546  575.595   45.921 -105.1998 97.09195 
1 1 1   26    7    5 o  227.932   47.390   1.3735   0.5732   1.3394   0.9851   1.3909   0.7048  228.806   73.684  227.058   59.614 1.747894 94.77929 
1 1 1   26    7    7 o  1293.33   67.180   43.740   4.4671   43.740   4.4671   0.0000   0.0000  1293.33   67.180  ?   ?       ?      ? 
1 1 1   26    7    9 f  611.722   53.034   10.215   1.6002   11.875   2.1133   7.9847   2.4500  674.549   60.936  548.896   86.816 125.6531 106.0671 
1 1 1   26    7   11 f  931.494   32.843   22.449   1.5673   25.255   2.2812   19.941   2.1571  986.726   44.968  876.262   47.881 110.4647 65.68616 
1 1 1   26    7   13 o  566.631   32.848   8.3411   0.9564   8.3577   1.3767   8.3256   1.3295  567.078   47.220  566.185   45.674 0.8925781 65.69521 
1 1 1   26    7   15 o  416.173   33.339   4.5435   0.7063   5.1860   0.9886   3.8737   1.0094  446.890   43.027  385.457   50.937 61.43347 66.67744 
1 1 1   26    7   17 f  193.394   36.576   0.9985   0.3836   0.6418   0.5368   1.3706   0.5483  161.733   54.500  225.055   48.795 -63.32281 73.15217 
1 1 1   26    7   19 o  193.964   38.091   1.0153   0.3951   1.1335   0.5569   0.8955   0.5605  204.255   52.686  183.674   55.027 20.58073 76.18242 
1 1 1   26    7   21 o  149.455   34.746   0.5189   0.3210   0.8150   0.4742   0.2685   0.4360  174.364   50.187  124.547   48.066 49.81669 69.49138 
1 1 1   26    7   23 o  475.478   46.615   5.9450   1.1307   5.3313   1.4905   6.7769   1.7354  447.282   64.815  503.674   67.015 -56.39233 93.23064 
1 1 1   26    7   25 f  361.431   66.712   3.6036   1.1940   3.6036   1.1940   0.0000   0.0000  361.431   66.712  ?   ?       ?      ? 
1 1 1   26    7   27 o  286.690   44.064   1.7300   0.5653   1.1667   0.6398   3.7364   1.2074  206.123   57.953  367.257   66.392 -161.1336 88.12737 
1 1 1   26    7   29 o  259.441   42.445   1.7868   0.5381   2.2681   0.9074   1.5258   0.6683  284.507   63.631  234.376   56.189 50.13121 84.88918 
1 1 1   26    7   31 o  234.895   52.630   1.5470   0.7087   1.6570   0.9076   1.3750   1.1346  241.930   69.375  227.859   79.162 14.07127 105.2592 
1 1 1   26    7   33 o  367.462   45.741   3.8336   0.7446   3.9200   0.8768   3.6102   1.4103  384.253   44.382  350.672   79.996 33.58084 91.48259 
1 1 1   26    7   35 o  667.194   47.060   12.337   1.6100   11.916   2.1855   12.838   2.3807  656.073   64.793  678.315   68.267 -22.24200 94.11990 
1 1 1   26    7   37 o  614.753   46.517   10.541   1.4684   10.013   2.0169   11.137   2.1419  598.593   65.536  630.913   66.032 -32.32068 93.03340 
1 1 1   26    7   39 o  627.254   44.103   10.566   1.4223   10.566   1.4223   0.0000   0.0000  627.254   44.103  ?   ?       ?      ? 
1 1 1   26    7   41 o  226.012   44.194   1.5437   0.5183   1.6794   0.6227   1.2376   0.9351  243.264   51.400  208.761   71.906 34.50343 88.38769 
1 1 1   26    7   43 o  271.624   42.438   2.3798   0.5300   2.6529   0.6159   1.6013   1.0400  314.266   38.121  228.981   75.834 85.28499 84.87640 
1 1 1   26    7   45 o  249.825   43.918   1.7550   0.5282   1.5096   0.6320   2.3238   0.9622  226.240   54.891  273.410   68.572 -47.17053 87.83588 
1 1 1   26    7   47 o  127.804   32.330   0.3180   0.2457   0.1895   0.2851   0.6888   0.4843   99.694   38.758  155.914   51.757 -56.21969 64.66033 
1 1 1   26    8    0 o  324.142   61.891   2.9930   0.9223   2.9930   0.9223   0.0000   0.0000  324.142   61.891  324.142   61.891 0.000000 0.000000 
1 1 1   26    8    2 o  261.425   47.129   1.8658   0.6025   1.7254   1.0962   1.9266   0.7213  255.211   77.065  267.639   54.274 -12.42802 94.25893 
1 1 1   26    8    4 o  550.577   44.866   8.2790   1.1208   7.0883   2.0808   8.7657   1.3303  519.325   77.935  581.829   44.473 -62.50372 89.73105 
1 1 1   26    8    6 o  701.070   45.619   13.101   1.5878   11.699   2.5211   14.023   2.0442  667.705   73.439  734.435   54.139 -66.73071 91.23770 
1 1 1   26    8    8 o  273.391   44.361   1.9159   0.5666   2.3177   1.0593   1.7549   0.6705  291.556   71.269  255.226   52.841 36.32996 88.72104 
1 1 1   26    8   10 o  917.953   43.869   21.255   1.8877   20.208   2.2247   23.945   3.5674  881.929   49.065  953.978   72.736 -72.04840 87.73743 
1 1 1   26    8   12 o  225.709   41.540   1.5072   0.5061   0.5669   0.9558   1.8735   0.5966  182.670   70.978  268.748   43.180 -86.07834 83.08042 
1 1 1   26    8   14 o  676.660   32.270   11.901   1.1225   12.183   1.5943   11.624   1.5807  684.665   45.291  668.654   45.981 16.01013 64.54078 
1 1 1   26    8   16 o  963.854   31.732   24.250   1.5668   25.935   2.1831   22.461   2.2502  999.078   42.501  928.629   47.130 70.44934 63.46339 
1 1 1   26    8   18 o  736.978   31.247   14.092   1.1818   13.165   1.6170   15.155   1.7315  711.034   44.234  762.922   44.145 -51.88763 62.49353 
1 1 1   26    8   20 o  669.805   45.325   12.290   1.2988   12.657   1.4880   11.118   2.6614  697.247   41.509  642.363   80.587 54.88330 90.64941 
1 1 1   26    8   22 o  590.612   39.560   8.4829   1.0712   7.7038   1.2350   10.849   2.1524  542.998   44.239  638.227   65.596 -95.22931 79.11944 
1 1 1   26    8   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   26 o  772.612   36.650   15.143   1.4125   18.535   2.3731   13.282   1.7578  835.339   55.256  709.884   48.164 125.4559 73.30048 
1 1 1   26    8   28 o  421.131   52.749   5.1646   1.0691   6.0997   1.4069   3.8869   1.6446  477.442   57.316  364.819   88.569 112.6227 105.4971 
1 1 1   26    8   30 o  325.032   48.393   3.6475   0.7359   4.4699   0.8603   1.4050   1.4206  412.197   40.596  237.867   87.861 174.3300 96.78669 
1 1 1   26    8   32 o  192.798   43.711   1.0404   0.4601   1.1649   0.5178   0.5726   1.0034  204.946   49.662  180.650   71.948 24.29602 87.42266 
1 1 1   26    8   34 o  655.057   39.694   11.241   1.2305   10.636   1.4615   12.716   2.2806  632.001   44.979  678.112   65.416 -46.11169 79.38727 
1 1 1   26    8   36 o  171.579   66.748   0.5936   0.8461   0.0000   0.0000   0.5936   0.8461  ?   ?   171.579   66.748      ?      ? 
1 1 1   26    8   38 o  450.869   45.215   5.4589   1.0481   5.4589   1.0481   0.0000   0.0000  450.869   45.215  ?   ?       ?      ? 
1 1 1   26    8   40 o  205.367   41.300   1.1559   0.3990   1.1302   0.4483   1.2535   0.8751  201.144   44.527  209.589   69.571 -8.445023 82.59979 
1 1 1   26    8   42 o  298.402   43.543   2.9209   0.5570   3.2273   0.6370   1.9260   1.1478  347.963   35.605  248.842   79.476 99.12114 87.08691 
1 1 1   26    8   44 o  129.935   35.716   0.3365   0.2791   0.3374   0.3060   0.3319   0.6809  116.839   41.083  143.031   58.437 -26.19173 71.43283 
1 1 1   26    8   46 o  156.762   34.705   0.7549   0.3405   0.9955   0.3910   0.0000   0.6926  187.113   41.713  126.412   55.478 60.70074 69.40987 
1 1 1   26    9    1 f  1439.83   35.406   53.778   2.6194   54.168   3.7748   53.416   3.6379  1444.66   50.822  1435.00   49.309 9.662842 70.81139 
1 1 1   26    9    3 o  868.583   42.070   19.451   1.7031   20.141   3.1895   19.176   2.0143  876.861   70.749  860.305   45.541 16.55652 84.13911 
1 1 1   26    9    5 o  736.455   44.890   14.030   1.6546   14.742   2.6927   13.599   2.0973  750.113   69.821  722.797   56.439 27.31604 89.77950 
1 1 1   26    9    7 o  248.903   44.352   1.7797   0.6164   0.6877   1.0164   2.4150   0.7752  192.846   73.645  304.959   49.444 -112.1124 88.70365 
1 1 1   26    9    9 o  1260.80   39.847   41.716   2.4018   40.675   4.2365   42.209   2.9157  1245.80   66.144  1275.80   44.452 -29.99585 79.69301 
1 1 1   26    9   11 o  323.784   43.356   2.2488   0.6512   1.5036   0.7536   4.4457   1.2939  235.407   61.567  412.161   61.062 -176.7538 86.71295 
1 1 1   26    9   13 o  659.393   37.400   10.777   1.2265   13.648   2.0834   9.2541   1.5173  722.652   56.075  596.133   49.506 126.5197 74.80092 
1 1 1   26    9   15 o  285.474   35.547   2.1642   0.5092   2.0740   0.7375   2.2464   0.7038  277.198   53.690  293.750   46.600 -16.55200 71.09326 
1 1 1   26    9   17 o  623.724   43.563   9.7709   1.2171   9.3066   1.3964   11.239   2.4832  597.720   45.440  649.728   74.338 -52.00800 87.12555 
1 1 1   26    9   19 o  302.024   51.188   2.6144   0.6700   2.7393   0.7447   2.0840   1.5351  324.112   44.690  279.935   92.106 44.17685 102.3753 
1 1 1   26    9   21 o  611.018   76.484   10.053   2.4027   0.0000   0.0000   10.053   2.4027  ?   ?   611.018   76.484      ?      ? 
1 1 1   26    9   23 o  507.966   59.218   6.8469   1.5465   0.0000   0.0000   6.8469   1.5465  ?   ?   507.966   59.218      ?      ? 
1 1 1   26    9   25 o  228.352   46.727   1.3203   0.5863   0.8592   0.7504   2.0428   0.9393  186.346   64.401  270.359   67.722 -84.01276 93.45473 
1 1 1   26    9   27 o  257.888   47.203   1.6334   0.5385   1.4541   0.6036   2.3323   1.1918  229.777   52.271  286.000   78.615 -56.22253 94.40654 
1 1 1   26    9   29 o  204.236   45.323   1.0891   0.4789   1.0684   0.5493   1.1547   0.9774  196.757   53.079  211.715   73.479 -14.95882 90.64504 
1 1 1   26    9   31 f  250.061   44.103   1.2905   0.4960   0.8763   0.5553   2.9234   1.1026  179.707   54.979  320.416   68.974 -140.7087 88.20519 
1 1 1   26    9   33 o  485.346   47.044   6.4334   1.1664   5.6443   1.5559   7.4459   1.7625  451.534   67.023  519.158   66.035 -67.62424 94.08853 
1 1 1   26    9   35 o  352.021   47.636   3.5901   0.7617   3.7083   0.9063   3.3061   1.4053  372.048   47.383  331.993   82.654 40.05557 95.27188 
1 1 1   26    9   37 o  335.847   38.263   2.9881   0.6607   2.9881   0.6607   0.0000   0.0000  335.847   38.263  ?   ?       ?      ? 
1 1 1   26    9   39 o  633.253   39.801   10.857   1.2036   10.471   1.4471   11.722   2.1678  623.301   45.159  643.205   65.554 -19.90393 79.60275 
1 1 1   26    9   41 o  349.780   41.372   3.2598   0.5979   3.0892   0.6721   3.9067   1.3089  339.817   38.470  359.744   73.257 -19.92715 82.74381 
1 1 1   26    9   43 o  166.396   40.040   0.6486   0.3377   0.5705   0.3735   0.9987   0.7911  144.165   45.252  188.626   66.070 -44.46095 80.08075 
1 1 1   26    9   45 o  326.888   43.010   3.0701   0.6575   2.9054   0.7909   3.4389   1.1833  322.701   47.669  331.076   71.604 -8.374664 86.02002 
1 1 1   26    9   47 o  141.162   37.908   0.4159   0.3384   0.3174   0.3908   0.7111   0.6764  119.783   45.682  162.542   60.508 -42.75855 75.81577 
1 1 1   26   10    0 o  355.782   60.043   3.5383   1.0044   3.5383   1.0044   0.0000   0.0000  355.782   60.043  355.782   60.043 0.000000 0.000000 
1 1 1   26   10    2 o  1165.07   34.654   35.455   2.0557   33.301   3.0727   37.200   2.7659  1131.95   52.799  1198.20   44.899 -66.24744 69.30864 
1 1 1   26   10    4 o  333.646   43.342   2.7082   0.6561   3.5649   1.2903   2.4094   0.7619  362.600   71.752  304.692   48.638 57.90771 86.68334 
1 1 1   26   10    6 o  555.394   44.275   7.7796   1.2379   9.5046   2.0176   6.7382   1.5676  602.672   65.115  508.116   60.009 94.55597 88.54927 
1 1 1   26   10    8 o  645.151   43.116   11.487   1.2814   9.4183   2.2898   12.430   1.5462  597.872   74.495  692.430   43.434 -94.55853 86.23225 
1 1 1   26   10   10 o  505.200   38.805   6.2521   0.9624   8.0553   1.6953   5.3946   1.1691  555.048   59.410  455.352   49.937 99.69565 77.60947 
1 1 1   26   10   12 o  816.925   45.340   17.505   1.7101   17.476   2.0173   17.577   3.2240  819.590   47.874  814.260   77.012 5.330322 90.67917 
1 1 1   26   10   14 o  744.883   49.734   14.757   1.8532   15.072   2.3793   14.272   2.9549  757.573   61.089  732.193   78.497 25.37915 99.46702 
1 1 1   26   10   16 o  354.032   53.128   4.1609   0.8396   4.8941   0.9636   1.8489   1.7111  433.765   43.208  274.299   97.074 159.4651 106.2556 
1 1 1   26   10   18 o  603.585   48.603   9.4017   1.4769   8.4032   1.8724   11.046   2.4028  563.510   64.629  643.661   72.609 -80.15143 97.20592 
1 1 1   26   10   20 o  605.566   78.358   9.8839   2.4396   0.0000   0.0000   9.8839   2.4396  ?   ?   605.566   78.358      ?      ? 
1 1 1   26   10   22 o  559.631   60.750   8.3156   1.7479   8.3156   1.7479   0.0000   0.0000  559.631   60.750  ?   ?       ?      ? 
1 1 1   26   10   24 o  300.482   47.276   2.7382   0.6473   3.0399   0.7485   1.8432   1.2893  340.754   42.724  260.210   84.349 80.54489 94.55219 
1 1 1   26   10   26 o  439.232   48.758   5.1103   1.0873   4.4697   1.4090   6.0533   1.7096  406.492   67.420  471.971   70.455 -65.47903 97.51644 
1 1 1   26   10   28 o  689.458   45.072   13.540   1.3476   14.255   1.5661   11.500   2.6455  736.481   41.360  642.435   80.095 94.04651 90.14382 
1 1 1   26   10   30 o  358.722   48.519   3.4458   0.7460   3.3121   0.8488   3.8996   1.5634  353.272   46.736  364.173   85.043 -10.90097 97.03887 
1 1 1   26   10   32 o  408.454   38.500   4.1329   0.6562   3.8891   0.7295   5.1669   1.5021  384.645   36.889  432.264   67.588 -47.61905 76.99979 
1 1 1   26   10   34 o  129.045   35.707   0.3257   0.2467   0.3599   0.2593   0.0000   0.8006  117.931   37.788  140.158   60.596 -22.22703 71.41322 
1 1 1   26   10   36 o  342.402   69.885   3.4003   1.1886   3.4003   1.1886   0.0000   0.0000  342.402   69.885  ?   ?       ?      ? 
1 1 1   26   10   38 o  254.769   43.042   1.4970   0.4384   1.2999   0.4772   2.5648   1.1107  216.541   44.355  292.996   73.778 -76.45580 86.08473 
1 1 1   26   10   40 o  245.711   40.317   1.6338   0.4490   1.5197   0.5188   1.9746   0.8967  233.706   44.807  257.716   67.037 -24.01038 80.63307 
1 1 1   26   10   42 o  252.373   42.628   1.6268   0.4545   1.4549   0.5046   2.3663   1.0465  227.755   44.689  276.990   72.605 -49.23531 85.25621 
1 1 1   26   10   44 o  192.605   40.673   1.0703   0.3917   1.0782   0.4445   1.0430   0.8287  194.357   45.317  190.853   67.555 3.503448 81.34640 
1 1 1   26   10   46 o  486.118   49.843   7.3137   1.2404   6.5155   1.7135   8.1925   1.7980  454.982   73.253  517.254   67.611 -62.27252 99.68563 
1 1 1   26   11    1 o  1007.09   34.436   26.137   1.7764   29.230   2.6400   23.578   2.4013  1061.19   48.389  952.984   49.010 108.2094 68.87260 
1 1 1   26   11    3 o  929.740   33.466   22.232   1.5888   24.088   2.4238   20.834   2.1038  963.154   48.947  896.327   45.653 66.82666 66.93282 
1 1 1   26   11    5 o  719.700   40.558   12.870   1.3694   15.078   2.6060   12.028   1.6096  758.511   66.827  680.890   45.980 77.62146 81.11681 
1 1 1   26   11    7 o  1065.34   43.642   28.963   2.3547   33.982   3.7465   25.686   3.0273  1139.08   63.973  991.604   59.381 147.4818 87.28466 
1 1 1   26   11    9 o  1490.92   49.918   58.080   3.8001   54.846   5.0350   62.359   5.7925  1444.47   67.799  1537.37   73.285 -92.90186 99.83685 
1 1 1   26   11   11 o  405.141   48.424   4.2512   0.8855   4.0693   1.0389   4.7345   1.6934  395.143   51.137  415.139   82.247 -19.99661 96.84808 
1 1 1   26   11   13 o  1591.64   45.797   67.939   3.3028   69.447   3.8780   63.956   6.3023  1633.65   46.173  1549.64   79.103 84.00244 91.59302 
1 1 1   26   11   15 o  709.464   48.897   13.205   1.7547   12.666   2.2666   14.010   2.7718  693.183   63.601  725.745   74.287 -32.56165 97.79409 
1 1 1   26   11   17 o  1707.90   47.255   76.221   4.0532   72.456   5.1515   82.340   6.5669  1657.99   60.434  1757.81   72.664 -99.81873 94.51087 
1 1 1   26   11   19 o  1031.82   76.886   28.619   4.0787   0.0000   0.0000   28.619   4.0787  ?   ?   1031.82   76.886      ?      ? 
1 1 1   26   11   21 o  489.492   43.314   6.2595   1.0900   6.2595   1.0900   0.0000   0.0000  489.492   43.314  ?   ?       ?      ? 
1 1 1   26   11   23 o  292.202   41.825   1.5682   0.5372   0.9837   0.5955   4.1261   1.2457  191.019   56.603  393.384   61.590 -202.3650 83.64944 
1 1 1   26   11   25 o  300.160   36.309   1.5024   0.4379   0.9927   0.4741   4.4600   1.1420  190.434   48.338  409.886   54.193 -219.4516 72.61895 
1 1 1   26   11   27 o  913.665   39.092   21.913   1.4491   21.678   1.6123   22.903   3.3057  911.518   34.403  915.813   70.208 -4.294678 78.18453 
1 1 1   26   11   29 o  205.493   43.838   1.2296   0.4717   1.3815   0.5279   0.6281   1.0504  224.322   47.268  186.665   73.842 37.65633 87.67506 
1 1 1   26   11   31 o  239.746   43.647   1.6835   0.4538   1.7663   0.4949   1.2464   1.1370  259.275   37.130  220.217   79.003 39.05766 87.29322 
1 1 1   26   11   33 o  176.631   40.895   0.8122   0.3546   0.8436   0.3842   0.6317   0.9209  174.939   43.019  178.323   69.563 -3.383469 81.79025 
1 1 1   26   11   35 o  169.678   50.860   0.7895   0.4787   0.7895   0.4787   0.0000   0.0000  169.678   50.860  ?   ?       ?      ? 
1 1 1   26   11   37 o  269.413   43.053   1.3473   0.4476   1.0073   0.4806   3.5681   1.2283  189.567   48.970  349.258   70.826 -159.6915 86.10685 
1 1 1   26   11   39 o  191.534   42.732   0.7850   0.4156   0.5354   0.4709   1.6647   0.8840  145.812   50.978  237.257   68.594 -91.44489 85.46320 
1 1 1   26   11   41 o  182.825   35.135   1.0927   0.3683   1.3678   0.4121   0.0000   0.8212  226.644   35.369  139.005   60.720 87.63925 70.27013 
1 1 1   26   11   43 o  450.626   43.505   6.0392   0.7877   6.1645   0.8961   5.6136   1.6520  479.237   36.369  422.014   79.044 57.22299 87.00995 
1 1 1   26   11   45 o  146.848   35.737   0.6143   0.3242   0.7575   0.3600   0.0000   0.7456  162.982   42.514  130.713   57.457 32.26874 71.47500 
1 1 1   26   12    0 o  257.594   65.013   2.0109   0.7446   0.0000   0.0000   2.0109   0.7446  257.594   65.013  257.594   65.013 -0.000000 0.000000 
1 1 1   26   12    2 o  156.844   34.332   0.6135   0.3004   0.7678   0.4812   0.5150   0.3845  170.823   50.942  142.865   46.039 27.95805 68.66345 
1 1 1   26   12    4 o  579.356   52.969   8.8304   1.5753   8.1844   2.1794   9.5372   2.2797  556.978   76.109  601.735   73.689 -44.75732 105.9370 
1 1 1   26   12    6 o  623.168   70.661   10.219   2.2639   10.219   2.2639   0.0000   0.0000  623.168   70.661  ?   ?       ?      ? 
1 1 1   26   12    8 o  709.675   52.252   13.308   1.8928   13.369   2.5347   13.231   2.8459  712.682   69.176  706.667   78.332 6.014038 104.5049 
1 1 1   26   12   10 o  951.252   51.606   24.070   2.4828   24.829   3.2653   23.029   3.8225  971.756   65.357  930.747   79.882 41.00977 103.2120 
1 1 1   26   12   12 o  549.592   52.136   8.1036   1.4320   8.4673   1.8489   7.5584   2.2638  567.372   63.384  531.812   82.795 35.55988 104.2717 
1 1 1   26   12   14 o  234.514   49.364   1.2802   0.6621   0.6416   0.8417   2.3167   1.0722  179.081   67.335  289.947   72.204 -110.8659 98.72859 
1 1 1   26   12   16 o  360.403   81.721   3.6193   1.4793   0.0000   0.0000   3.6193   1.4793  ?   ?   360.403   81.721      ?      ? 
1 1 1   26   12   18 o  102.820   41.988   0.1024   0.3513   0.1024   0.3513   0.0000   0.0000  102.820   41.988  ?   ?       ?      ? 
1 1 1   26   12   20 o  260.095   37.752   1.7601   0.5048   1.7601   0.5048   0.0000   0.0000  260.095   37.752  ?   ?       ?      ? 
1 1 1   26   12   22 o  384.308   45.214   3.4309   0.6180   3.2085   0.6627   4.9136   1.7113  351.032   36.722  417.585   82.637 -66.55273 90.42871 
1 1 1   26   12   24 o  440.029   38.592   4.5024   0.6866   4.1530   0.7523   6.2445   1.6796  399.047   36.667  481.010   67.919 -81.96313 77.18453 
1 1 1   26   12   26 o  177.748   43.414   0.7070   0.4165   0.6337   0.4702   0.9736   0.8974  156.674   50.951  198.821   70.307 -42.14661 86.82803 
1 1 1   26   12   28 o  240.923   42.062   1.5364   0.4268   1.5179   0.4688   1.6261   1.0311  240.609   37.901  241.236   75.103 -0.6264038 84.12450 
1 1 1   26   12   30 o  416.546   45.790   4.7600   0.7282   4.7314   0.8057   4.8874   1.7014  424.540   36.913  408.553   83.812 15.98682 91.58057 
1 1 1   26   12   32 o  955.331   38.525   23.962   1.5310   23.473   1.7148   25.884   3.3991  945.490   35.276  965.173   68.500 -19.68341 77.04920 
1 1 1   26   12   34 o  179.918   49.922   0.8983   0.4780   0.8983   0.4780   0.0000   0.0000  179.918   49.922  ?   ?       ?      ? 
1 1 1   26   12   36 o  317.137   46.603   2.6440   0.6446   2.4417   0.7321   3.3415   1.3595  301.246   47.269  333.028   80.331 -31.78177 93.20620 
1 1 1   26   12   38 f  434.865   35.538   4.1018   0.6698   3.3343   0.7435   7.4073   1.5429  353.199   40.943  516.532   58.099 -163.3323 71.07633 
1 1 1   26   12   40 o  237.404   43.818   1.1222   0.4232   0.8440   0.4577   2.7641   1.1119  173.018   49.148  301.791   72.556 -128.7729 87.63533 
1 1 1   26   12   42 o  245.318   44.007   1.5995   0.4517   1.4906   0.4961   2.1276   1.0922  230.832   43.395  259.804   76.572 -28.97218 88.01344 
1 1 1   26   12   44 o  165.641   37.366   0.4762   0.2988   0.2763   0.3279   1.4558   0.7259  112.189   42.057  219.092   61.775 -106.9028 74.73259 
1 1 1   26   12   46 o  119.194   44.228   0.3341   0.3608   0.3341   0.3608   0.0000   0.0000  119.194   44.228  ?   ?       ?      ? 
1 1 1   26   13    1 o  774.327   53.520   15.858   2.1260   16.634   2.9643   15.036   3.0506  794.695   72.553  753.959   78.700 40.73608 107.0403 
1 1 1   26   13    3 o  352.936   58.011   3.4313   1.0311   3.4601   1.4129   3.3985   1.5082  354.954   79.410  350.919   84.588 4.035034 116.0219 
1 1 1   26   13    5 o  473.411   41.690   5.3452   0.9098   4.7762   1.0499   7.0605   1.8230  428.664   47.637  518.157   68.432 -89.49368 83.38001 
1 1 1   26   13    7 o  1147.22   43.824   34.166   2.5848   34.166   2.5848   0.0000   0.0000  1147.22   43.824  ?   ?       ?      ? 
1 1 1   26   13    9 o  582.034   42.129   7.8775   1.0934   7.0014   1.2377   10.990   2.3331  518.846   46.399  645.222   70.332 -126.3758 84.25829 
1 1 1   26   13   11 o  651.459   44.827   11.048   1.2686   10.945   1.4468   11.389   2.6382  648.971   43.364  653.947   78.470 -4.975891 89.65450 
1 1 1   26   13   13 o  520.512   39.965   6.2990   0.8499   5.8362   0.9346   8.5120   2.0437  474.296   38.326  566.729   70.142 -92.43301 79.93032 
1 1 1   26   13   15 o  567.774   41.294   7.5123   1.0441   6.6685   1.1812   10.529   2.2333  505.760   45.426  629.787   68.974 -124.0271 82.58885 
1 1 1   26   13   17 o  664.550   41.817   11.502   1.4287   11.502   1.4287   0.0000   0.0000  664.550   41.817  ?   ?       ?      ? 
1 1 1   26   13   19 f  971.690   40.718   23.111   1.7660   21.415   2.0125   28.788   3.6824  905.660   43.222  1037.72   69.021 -132.0585 81.43687 
1 1 1   26   13   21 o  889.484   39.867   19.751   1.3778   19.146   1.5062   22.850   3.4107  858.336   34.132  920.632   72.060 -62.29547 79.73449 
1 1 1   26   13   23 o  592.363   42.330   8.8408   0.9538   8.5950   1.0381   10.173   2.4164  574.494   35.147  610.232   77.020 -35.73834 84.66046 
1 1 1   26   13   25 o  673.038   41.451   12.033   1.0926   11.987   1.2052   12.249   2.5878  678.040   34.574  668.036   75.348 10.00464 82.90128 
1 1 1   26   13   27 o  497.049   43.395   6.5121   1.1089   6.5121   1.1089   0.0000   0.0000  497.049   43.395  ?   ?       ?      ? 
1 1 1   26   13   29 o  727.769   41.476   14.096   1.3765   13.829   1.6075   14.830   2.6653  723.285   43.228  732.253   70.797 -8.968079 82.95139 
1 1 1   26   13   31 o  270.641   46.294   2.4774   0.5538   2.7557   0.6041   1.0139   1.3854  323.851   36.284  217.431   85.183 106.4199 92.58888 
1 1 1   26   13   33 o  519.112   43.289   7.1658   1.1553   7.1658   1.1553   0.0000   0.0000  519.112   43.289  ?   ?       ?      ? 
1 1 1   26   13   35 o  175.073   40.332   0.8367   0.3313   0.8948   0.3501   0.3406   1.0234  180.574   38.864  169.572   70.685 11.00250 80.66441 
1 1 1   26   13   37 o  242.151   37.795   0.9569   0.4721   0.2369   0.5355   3.4687   1.0002  128.881   52.131  355.421   54.738 -226.5404 75.59074 
1 1 1   26   13   39 f  190.557   44.217   0.9379   0.4111   0.9133   0.4492   1.0647   1.0205  179.975   47.756  201.140   74.432 -21.16437 88.43468 
1 1 1   26   13   41 o  176.518   37.099   1.0057   0.3573   1.1853   0.3879   0.0000   0.9179  207.469   37.755  145.566   63.875 61.90269 74.19881 
1 1 1   26   13   43 o  169.075   39.709   0.8187   0.3443   0.8854   0.3689   0.3678   0.9586  177.112   41.274  161.038   67.851 16.07442 79.41837 
1 1 1   26   13   45 o  168.312   50.330   0.8237   0.4692   0.8237   0.4692   0.0000   0.0000  168.312   50.330  ?   ?       ?      ? 
1 1 1   26   14    0 o  516.359   85.689   7.5009   2.0865   7.5009   2.0865   0.0000   0.0000  516.359   85.689  516.359   85.689 0.000000 0.000000 
1 1 1   26   14    2 f  864.565   56.988   20.346   2.4134   27.444   3.4319   13.401   3.3945  1022.39   65.291  706.740   93.422 315.6502 113.9762 
1 1 1   26   14    4 o  189.052   48.724   0.7645   0.6186   0.5819   0.8672   0.9537   0.8826  177.759   67.991  200.345   69.809 -22.58630 97.44822 
1 1 1   26   14    6 o  270.508   78.497   1.9859   1.1558   1.9859   1.1558   0.0000   0.0000  270.508   78.497  ?   ?       ?      ? 
1 1 1   26   14    8 o  320.147   59.244   2.7637   0.9713   2.4353   1.2475   3.2692   1.5478  297.389   79.890  342.906   87.503 -45.51694 118.4871 
1 1 1   26   14   10 o  539.413   58.078   8.1264   1.5130   9.4463   2.0205   6.4412   2.2830  598.584   65.653  480.241   95.822 118.3431 116.1556 
1 1 1   26   14   12 o  590.353   54.070   9.2575   1.6370   8.8219   2.2213   9.7754   2.4218  575.594   75.063  605.113   77.844 -29.51947 108.1395 
1 1 1   26   14   14 o  599.643   43.448   9.3634   1.3395   9.3634   1.3395   0.0000   0.0000  599.643   43.448  ?   ?       ?      ? 
1 1 1   26   14   16 o  414.928   43.754   4.4896   0.9334   4.4896   0.9334   0.0000   0.0000  414.928   43.754  ?   ?       ?      ? 
1 1 1   26   14   18 o  584.287   37.897   7.2536   0.8657   6.4682   0.9353   11.953   2.2878  498.865   36.466  669.709   66.446 -170.8439 75.79429 
1 1 1   26   14   20 o  986.704   39.337   23.887   1.5129   22.952   1.6522   28.739   3.7651  939.834   34.193  1033.57   70.854 -93.74048 78.67308 
1 1 1   26   14   22 o  517.017   42.806   6.5000   0.8313   6.2241   0.8992   8.1213   2.1801  488.823   35.780  545.210   77.776 -56.38681 85.61170 
1 1 1   26   14   24 o  427.386   46.356   4.3666   0.6912   4.1319   0.7402   5.9647   1.9313  397.887   36.186  456.885   85.359 -58.99802 92.71249 
1 1 1   26   14   26 o  367.128   37.672   3.0546   0.5693   2.7414   0.6250   4.5788   1.3789  323.574   37.572  410.681   65.308 -87.10770 75.34412 
1 1 1   26   14   28 o  317.005   47.871   3.6003   0.6300   4.0878   0.6961   1.3928   1.4814  395.362   34.246  238.647   89.408 156.7152 95.74246 
1 1 1   26   14   30 o  505.870   45.142   7.0257   1.0040   7.0391   1.1577   6.9851   2.0165  515.271   43.701  496.469   79.003 18.80255 90.28404 
1 1 1   26   14   32 o  151.167   47.007   0.6111   0.4041   0.6111   0.4041   0.0000   0.0000  151.167   47.007  ?   ?       ?      ? 
1 1 1   26   14   34 o  318.485   45.915   2.5073   0.5537   2.3371   0.6000   3.4848   1.4380  297.049   39.286  339.920   83.002 -42.87088 91.82970 
1 1 1   26   14   36 f  241.804   40.228   1.4472   0.4206   1.2724   0.4721   2.1210   0.9267  214.327   44.304  269.280   67.160 -54.95251 80.45698 
1 1 1   26   14   38 o  138.665   39.048   0.3739   0.2909   0.4095   0.3044   0.0000   0.9867  125.367   41.003  151.963   66.465 -26.59592 78.09502 
1 1 1   26   14   40 o  151.375   40.019   0.4536   0.3127   0.4098   0.3361   0.7361   0.8535  126.633   43.119  176.116   67.430 -49.48349 80.03754 
1 1 1   26   14   42 o  250.994   43.323   1.6848   0.4542   1.5667   0.5011   2.2298   1.0763  236.716   42.744  265.272   75.370 -28.55614 86.64697 
1 1 1   26   14   44 o  530.998   46.503   7.8626   1.2695   7.8626   1.2695   0.0000   0.0000  530.998   46.503  ?   ?       ?      ? 
1 1 1   26   15    1 o  294.589   48.905   2.1542   0.8975   4.4156   1.2850   0.0000   1.2541  410.434   60.895  178.745   76.540 231.6893 97.80915 
1 1 1   26   15    3 o  823.292   37.605   17.557   1.5917   17.557   1.5917   0.0000   0.0000  823.292   37.605  ?   ?       ?      ? 
1 1 1   26   15    5 o  192.060   51.083   0.9957   0.5132   0.9957   0.5132   0.0000   0.0000  192.060   51.083  ?   ?       ?      ? 
1 1 1   26   15    7 o  480.653   57.009   6.0503   1.4088   6.0503   1.4088   0.0000   0.0000  480.653   57.009  ?   ?       ?      ? 
1 1 1   26   15    9 o  679.499   79.686   12.327   2.7838   0.0000   0.0000   12.327   2.7838  ?   ?   679.499   79.686      ?      ? 
1 1 1   26   15   11 o  822.067   74.415   17.994   3.1451   17.994   3.1451   0.0000   0.0000  822.067   74.415  ?   ?       ?      ? 
1 1 1   26   15   13 o  679.708   47.047   12.059   1.6441   12.059   1.6441   0.0000   0.0000  679.708   47.047  ?   ?       ?      ? 
1 1 1   26   15   15 o  447.456   48.248   5.1939   0.9257   5.0014   1.0586   5.8193   1.9082  437.439   47.071  457.474   84.236 -20.03464 96.49546 
1 1 1   26   15   17 o  980.266   49.127   25.408   2.4276   24.300   3.1120   27.131   3.8798  956.485   63.284  1004.05   75.160 -47.56030 98.25417 
1 1 1   26   15   19 o  242.692   51.980   1.5274   0.5561   1.5388   0.5979   1.4546   1.5154  237.597   50.499  247.787   90.871 -10.18991 103.9601 
1 1 1   26   15   21 o  741.851   42.422   13.480   1.3740   12.508   1.5504   17.038   2.9657  690.831   43.653  792.871   72.753 -102.0400 84.84411 
1 1 1   26   15   23 o  609.756   43.932   9.4690   1.1556   9.0566   1.3051   10.966   2.4865  587.284   43.225  632.228   76.497 -44.94391 87.86408 
1 1 1   26   15   25 o  1160.08   40.233   33.244   2.1002   30.524   2.4011   42.102   4.3328  1076.70   43.376  1243.46   67.774 -166.7574 80.46619 
1 1 1   26   15   27 o  419.029   50.989   4.6630   1.0482   3.4972   1.3315   6.5632   1.6999  348.665   76.387  489.393   67.560 -140.7275 101.9776 
1 1 1   26   15   29 o  262.114   41.346   1.4623   0.4993   0.9183   0.5704   3.2447   1.0326  183.373   55.643  340.855   61.171 -157.4821 82.69209 
1 1 1   26   15   31 o  166.871   56.341   0.7199   0.5737   0.7199   0.5737   0.0000   0.0000  166.871   56.341  ?   ?       ?      ? 
1 1 1   26   15   33 o  387.365   47.019   4.0025   0.7785   3.7878   0.8867   4.7246   1.6260  376.352   45.826  398.379   82.117 -22.02707 94.03882 
1 1 1   26   15   35 o  327.763   47.995   3.3302   0.7028   3.6215   0.8209   2.5304   1.3601  368.041   43.385  287.486   85.625 80.55569 95.98958 
1 1 1   26   15   37 o  164.654   42.615   0.6445   0.4566   0.5945   0.5705   0.7336   0.7615  155.536   55.943  173.771   64.301 -18.23555 85.23018 
1 1 1   26   15   39 o  404.005   51.736   5.2088   0.8978   5.6247   1.0538   4.1076   1.7149  455.156   45.033  352.853   93.158 102.3036 103.4713 
1 1 1   26   15   41 o  363.024   48.768   3.5140   0.7797   3.0753   0.8901   4.9611   1.6166  331.721   52.192  394.326   82.396 -62.60495 97.53524 
1 1 1   26   15   43 o  298.970   55.585   3.0571   0.8810   3.5042   1.1142   2.3111   1.4392  338.817   66.336  259.122   89.209 79.69440 111.1695 
1 1 1   26   15   45 o  485.655   44.956   6.4247   1.0209   5.4853   1.1873   9.0901   1.9999  435.722   53.002  535.589   72.628 -99.86694 89.91135 
1 1 1   26   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16    4 o  391.612   56.403   4.0152   1.1356   4.0152   1.1356   0.0000   0.0000  391.612   56.403  ?   ?       ?      ? 
1 1 1   26   16    6 o  257.638   50.126   1.7341   0.6428   1.6125   0.7676   2.0199   1.1763  243.077   61.401  272.200   79.249 -29.12291 100.2518 
1 1 1   26   16    8 o  811.902   56.556   17.284   2.3608   17.284   2.3608   0.0000   0.0000  811.902   56.556  ?   ?       ?      ? 
1 1 1   26   16   10 o  308.593   46.361   2.4829   0.7356   2.4829   0.7356   0.0000   0.0000  308.593   46.361  ?   ?       ?      ? 
1 1 1   26   16   12 o  310.568   44.068   2.1919   0.5436   1.9703   0.5945   3.3243   1.3438  275.139   42.024  345.997   77.473 -70.85788 88.13695 
1 1 1   26   16   14 o  334.865   50.517   4.1181   0.7012   4.7252   0.7689   1.1207   1.7086  426.738   35.047  242.991   94.762 183.7471 101.0350 
1 1 1   26   16   16 o  548.274   39.835   6.8728   0.8522   6.3717   0.9250   9.6880   2.1923  495.138   36.336  601.410   70.901 -106.2718 79.66908 
1 1 1   26   16   18 o  813.501   46.297   17.950   1.5895   18.173   1.8037   17.175   3.3629  834.050   42.062  792.953   82.489 41.09723 92.59418 
1 1 1   26   16   20 f  581.855   45.643   8.5505   1.1279   8.1647   1.2653   10.043   2.4888  558.068   44.101  605.642   79.927 -47.57452 91.28677 
1 1 1   26   16   22 o  457.921   50.733   5.6515   0.9146   5.5681   1.0188   5.9978   2.0767  460.587   43.023  455.255   91.892 5.331696 101.4652 
1 1 1   26   16   24 o  436.402   53.173   5.5968   0.9041   5.7865   1.0129   4.8530   2.0057  469.218   41.986  403.587   97.707 65.63174 106.3458 
1 1 1   26   16   26 o  777.245   39.935   14.148   1.4074   12.115   1.6021   21.021   2.9455  676.380   46.072  878.109   65.243 -201.7288 79.87091 
1 1 1   26   16   28 o  397.800   51.511   4.2795   1.0063   2.5823   1.3024   6.7935   1.5850  296.328   82.465  499.272   61.750 -202.9442 103.0214 
1 1 1   26   16   30 o  588.351   60.745   9.4673   1.8375   9.4673   1.8375   0.0000   0.0000  588.351   60.745  ?   ?       ?      ? 
1 1 1   26   16   32 o  206.440   46.533   1.1376   0.4823   1.1410   0.5363   1.1231   1.1036  201.915   51.496  210.966   77.521 -9.051071 93.06672 
1 1 1   26   16   34 o  236.791   41.321   1.3677   0.4597   1.0518   0.5348   2.2606   0.8992  193.507   52.448  280.076   63.866 -86.56924 82.64140 
1 1 1   26   16   36 o  173.750   40.464   0.5212   0.3694   0.2700   0.4142   1.4996   0.8173  120.564   46.756  226.936   66.056 -106.3716 80.92868 
1 1 1   26   16   38 o  377.389   53.781   4.5532   1.0168   6.1205   1.3753   2.6630   1.5103  467.961   57.162  286.817   91.116 181.1443 107.5622 
1 1 1   26   16   40 o  544.750   46.846   8.6807   1.1408   8.7398   1.3338   8.5197   2.2021  565.066   45.910  524.434   81.674 40.63177 93.69282 
1 1 1   26   16   42 o  259.198   52.805   2.2300   0.7650   2.6162   0.9665   1.5824   1.2516  292.826   65.804  225.570   82.604 67.25562 105.6106 
1 1 1   26   16   44 o  411.362   54.253   5.8171   0.8183   6.0371   0.9015   4.7887   1.9495  471.125   37.219  351.599  101.923 119.5253 108.5061 
1 1 1   26   17    1 o  784.628   54.101   16.447   2.1718   18.029   3.0467   14.812   3.0967  824.726   71.853  744.530   80.900 80.19525 108.2020 
1 1 1   26   17    3 o  837.511   54.036   18.679   2.3255   18.856   3.2464   18.493   3.3327  842.107   74.984  832.915   77.827 9.192078 108.0725 
1 1 1   26   17    5 o  655.675   44.497   11.254   1.3027   11.181   1.5062   11.469   2.5952  655.431   44.697  655.919   76.956 -0.4876099 88.99487 
1 1 1   26   17    7 o  315.663   47.490   2.5990   0.7707   2.5990   0.7707   0.0000   0.0000  315.663   47.490  ?   ?       ?      ? 
1 1 1   26   17    9 o  605.019   53.206   9.6952   1.6455   9.0820   2.1895   10.491   2.4943  583.894   72.937  626.144   77.483 -42.25018 106.4115 
1 1 1   26   17   11 o  300.885   48.959   2.3522   0.6440   2.2806   0.7256   2.6179   1.3972  295.422   47.775  306.348   85.471 -10.92584 97.91711 
1 1 1   26   17   13 o  248.711   45.015   1.9373   0.5239   2.1818   0.5759   0.7654   1.2608  289.650   38.674  207.773   81.300 81.87656 90.02960 
1 1 1   26   17   15 o  676.517   38.845   10.310   1.0386   9.4486   1.1292   15.040   2.6464  602.899   36.431  750.135   68.618 -147.2360 77.68983 
1 1 1   26   17   17 o  982.909   37.742   21.958   1.4742   20.177   1.6059   31.502   3.7170  880.847   35.460  1084.97   66.636 -204.1241 75.48359 
1 1 1   26   17   19 o  592.847   44.755   8.4754   1.1333   7.8061   1.2658   11.180   2.5444  545.425   45.140  640.269   77.294 -94.84363 89.50990 
1 1 1   26   17   21 o  572.916   55.926   9.9661   1.2229   10.598   1.3823   7.6904   2.6230  635.693   42.295  510.138  103.548 125.5552 111.8525 
1 1 1   26   17   23 o  352.505   54.289   3.7082   0.6518   3.7876   0.6931   3.1008   1.9178  380.858   35.395  324.152  102.646 56.70654 108.5775 
1 1 1   26   17   25 o  535.769   41.592   7.2690   0.8683   7.0271   0.9503   8.4931   2.1377  518.239   35.665  553.299   75.150 -35.06061 83.18328 
1 1 1   26   17   27 o  542.312   42.441   7.2053   1.0363   6.4560   1.1814   9.7055   2.1580  492.883   46.622  591.742   70.932 -98.85956 84.88228 
1 1 1   26   17   29 f  341.078   64.315   3.2854   1.0864   3.2854   1.0864   0.0000   0.0000  341.078   64.315  ?   ?       ?      ? 
1 1 1   26   17   31 o  184.974   40.994   0.9107   0.3581   0.9350   0.3883   0.7728   0.9264  184.256   41.933  185.693   70.453 -1.437103 81.98811 
1 1 1   26   17   33 o  266.956   43.709   2.2169   0.4999   2.3732   0.5555   1.5512   1.1466  299.915   36.028  233.997   79.648 65.91808 87.41764 
1 1 1   26   17   35 o  271.777   44.557   2.1617   0.5087   2.2091   0.5635   1.9527   1.1832  288.460   37.996  255.094   80.608 33.36601 89.11428 
1 1 1   26   17   37 o  319.055   48.111   3.0843   0.6916   3.2130   0.8049   2.7211   1.3521  344.463   45.451  293.647   84.811 50.81644 96.22237 
1 1 1   26   17   39 o  139.032   34.966   0.4909   0.3258   0.6708   0.3809   0.0000   0.6292  155.002   45.083  123.062   53.461 31.94010 69.93217 
1 1 1   26   17   41 o  346.207   51.937   3.5332   0.7529   3.4102   0.8435   4.0156   1.6703  351.351   46.695  341.063   92.787 10.28763 103.8740 
1 1 1   26   17   43 o  211.377   44.481   1.2775   0.4681   1.2775   0.4681   0.0000   0.0000  211.377   44.481  ?   ?       ?      ? 
1 1 1   26   18    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   18    2 o  227.842   73.393   1.3540   0.9773   1.3540   0.9773   0.0000   0.0000  227.842   73.393  ?   ?       ?      ? 
1 1 1   26   18    4 o  202.794   46.593   0.9076   0.4857   0.7547   0.5516   1.4354   1.0248  171.578   55.123  234.009   75.134 -62.43109 93.18609 
1 1 1   26   18    6 o  536.227   42.534   6.9832   1.0482   6.3347   1.2101   8.9330   2.0982  492.616   47.779  579.838   70.382 -87.22180 85.06772 
1 1 1   26   18    8 o  307.098   50.541   2.5258   0.6759   2.5167   0.7592   2.5608   1.4843  310.417   47.571  303.779   89.188 6.637146 101.0814 
1 1 1   26   18   10 o  346.683   59.266   3.4502   1.0542   4.0850   1.4095   2.6441   1.5883  385.072   73.883  308.294   92.689 76.77747 118.5326 
1 1 1   26   18   12 o  317.186   40.674   1.8755   0.5140   1.4714   0.5554   4.2832   1.3558  233.021   47.960  401.351   65.706 -168.3299 81.34769 
1 1 1   26   18   14 o  416.326   40.787   4.0206   0.6755   3.7311   0.7372   5.5358   1.6864  378.654   37.868  453.998   72.252 -75.34451 81.57357 
1 1 1   26   18   16 o  166.389   42.989   0.5398   0.3913   0.4836   0.4321   0.7958   0.9221  141.837   48.878  190.942   70.734 -49.10551 85.97876 
1 1 1   26   18   18 o  169.791   43.843   0.5752   0.3960   0.5332   0.4327   0.7922   0.9833  146.196   48.930  193.386   72.764 -47.19032 87.68600 
1 1 1   26   18   20 o  210.767   49.785   0.7523   0.4392   0.6018   0.4651   1.9909   1.3339  153.786   50.704  267.747   85.694 -113.9612 99.57067 
1 1 1   26   18   22 o  719.981   44.090   13.480   1.1691   13.266   1.2671   14.703   3.0317  713.055   34.564  726.906   81.123 -13.85162 88.17950 
1 1 1   26   18   24 o  185.563   47.976   0.5928   0.3357   0.5535   0.3463   1.2022   1.3635  144.036   43.276  227.090   85.638 -83.05339 95.95136 
1 1 1   26   18   26 o  612.721   55.606   11.700   1.2852   12.518   1.4541   8.7799   2.7474  688.953   41.053  536.490  103.357 152.4625 111.2121 
1 1 1   26   18   28 o  140.377   52.315   0.4222   0.5059   0.4222   0.5059   0.0000   0.0000  140.377   52.315  ?   ?       ?      ? 
1 1 1   26   18   30 o  327.152   49.329   2.9374   0.6685   2.8656   0.7448   3.2345   1.5153  328.079   44.159  326.225   88.223 1.853485 98.65782 
1 1 1   26   18   32 o  540.161   36.654   6.5865   0.8241   5.7873   0.9064   10.401   1.9800  467.911   37.677  612.412   62.886 -144.5012 73.30899 
1 1 1   26   18   34 o  248.188   41.686   1.5736   0.4261   1.4851   0.4674   2.0085   1.0359  236.517   38.440  259.858   73.982 -23.34102 83.37232 
1 1 1   26   18   36 o  285.883   44.572   2.5105   0.5337   2.6305   0.5958   2.0237   1.2002  314.577   36.838  257.188   81.177 57.38928 89.14488 
1 1 1   26   18   38 o  187.361   43.005   1.0017   0.4478   1.0679   0.5179   0.8060   0.8910  193.170   51.290  181.553   69.043 11.61674 86.00995 
1 1 1   26   18   40 o  200.363   44.959   0.9970   0.4449   0.8292   0.4999   1.6362   0.9756  170.647   52.155  230.079   73.247 -59.43135 89.91862 
1 1 1   26   18   42 o  294.692   38.504   2.3595   0.5834   2.3595   0.5834   0.0000   0.0000  294.692   38.504  ?   ?       ?      ? 
1 1 1   26   18   44 o  162.997   41.512   0.6516   0.3400   0.6220   0.3645   0.8498   0.9423  147.552   44.413  178.441   70.147 -30.88867 83.02467 
1 1 1   26   19    1 o  936.337   53.892   23.439   2.5938   23.970   3.6675   22.907   3.6688  947.389   75.296  925.285   77.121 22.10345 107.7834 
1 1 1   26   19    3 o  282.311   57.728   2.2605   0.9074   2.7495   1.1566   1.4779   1.4632  315.328   72.814  249.294   89.601 66.03499 115.4564 
1 1 1   26   19    5 o  328.900   49.742   2.7542   0.7279   2.5790   0.8333   3.3184   1.4952  313.775   51.653  344.025   85.024 -30.24933 99.48402 
1 1 1   26   19    7 f  645.341   40.435   9.5085   1.2153   7.7827   1.4025   14.711   2.4350  545.219   50.034  745.463   63.533 -200.2432 80.86909 
1 1 1   26   19    9 o  190.433   47.072   0.7319   0.4327   0.6637   0.4671   1.1439   1.1477  160.128   50.654  220.738   79.354 -60.61018 94.14305 
1 1 1   26   19   11 o  692.089   47.412   13.058   1.4069   13.321   1.6096   12.206   2.8961  714.251   43.832  669.928   84.085 44.32281 94.82410 
1 1 1   26   19   13 o  590.575   40.694   8.0036   0.9610   7.3666   1.0490   11.327   2.3960  531.891   38.362  649.258   71.780 -117.3661 81.38795 
1 1 1   26   19   15 o  155.252   39.778   0.4108   0.2707   0.3674   0.2848   0.8161   0.8703  121.022   39.668  189.481   68.960 -68.45821 79.55562 
1 1 1   26   19   17 o  443.430   40.837   4.4434   0.6915   4.1024   0.7462   6.5161   1.8400  396.745   36.584  490.115   73.022 -93.37030 81.67355 
1 1 1   26   19   19 o  415.285   55.396   5.0059   0.9065   5.1307   1.0107   4.4927   2.0496  441.810   44.496  388.760  101.465 53.05002 110.7926 
1 1 1   26   19   21 o  594.949   41.935   8.3205   0.9417   7.8136   1.0164   11.392   2.5020  546.862   36.152  643.035   75.679 -96.17236 83.87074 
1 1 1   26   19   23 o  437.334   49.181   4.7557   0.7399   4.5503   0.7922   6.1581   2.0702  416.801   36.970  457.868   91.150 -41.06741 98.36195 
1 1 1   26   19   25 o  782.950   45.536   16.395   1.5121   16.116   1.7084   17.401   3.2491  781.080   42.542  784.820   80.524 -3.740417 91.07105 
1 1 1   26   19   27 o  215.540   43.185   1.2718   0.4619   1.2718   0.4619   0.0000   0.0000  215.540   43.185  ?   ?       ?      ? 
1 1 1   26   19   29 o  349.346   48.669   3.5287   0.7128   3.5883   0.8085   3.3209   1.5104  367.574   42.782  331.118   87.432 36.45645 97.33779 
1 1 1   26   19   31 o  373.109   48.004   4.0724   0.6622   4.1350   0.7267   3.7656   1.6084  396.149   35.679  350.069   89.132 46.08051 96.00782 
1 1 1   26   19   33 o  192.884   42.653   0.8870   0.3563   0.8330   0.3824   1.2423   0.9808  173.246   43.105  212.522   73.614 -39.27611 85.30582 
1 1 1   26   19   35 o  297.700   41.204   2.0743   0.4923   1.8204   0.5399   3.3285   1.1998  260.990   40.234  334.410   71.918 -73.42020 82.40737 
1 1 1   26   19   37 o  258.998   45.603   2.0504   0.5053   2.1240   0.5530   1.6778   1.2437  281.784   38.170  236.213   82.835 45.57068 91.20661 
1 1 1   26   19   39 o  181.889   44.203   0.9457   0.5169   1.1942   0.6268   0.4177   0.9138  201.851   57.578  161.926   67.085 39.92439 88.40556 
1 1 1   26   19   41 o  150.115   43.610   0.6359   0.3566   0.6359   0.3566   0.0000   0.0000  150.115   43.610  ?   ?       ?      ? 
1 1 1   26   19   43 o  165.936   41.040   0.7702   0.3572   0.8175   0.3813   0.4315   1.0202  168.385   43.677  163.486   69.494 4.899475 82.07925 
1 1 1   26   20    0 o  697.344   81.661   13.291   2.8227   13.291   2.8227   0.0000   0.0000  697.344   81.661  697.344   81.661 0.000000 0.000000 
1 1 1   26   20    2 o  829.999   54.841   18.527   2.3356   19.289   3.2533   17.716   3.3551  848.992   74.534  811.006   80.466 37.98523 109.6812 
1 1 1   26   20    4 o  191.070   49.133   0.7064   0.5309   0.5923   0.5967   1.1399   1.1630  160.858   57.284  221.281   79.841 -60.42355 98.26521 
1 1 1   26   20    6 o  208.806   44.888   0.8731   0.4721   0.5704   0.5376   1.8937   0.9872  155.675   54.469  261.937   71.363 -106.2619 89.77518 
1 1 1   26   20    8 o  176.356   50.778   0.8349   0.4853   0.8349   0.4853   0.0000   0.0000  176.356   50.778  ?   ?       ?      ? 
1 1 1   26   20   10 o  320.805   60.043   3.0141   1.0336   3.7169   1.3414   1.9869   1.6217  365.997   73.832  275.613   94.707 90.38388 120.0857 
1 1 1   26   20   12 o  950.727   43.248   22.556   1.8236   21.221   2.0776   27.034   3.8055  900.415   44.880  1001.04   73.941 -100.6252 86.49583 
1 1 1   26   20   14 o  171.536   41.208   0.6264   0.3084   0.6011   0.3266   0.8352   0.9368  149.383   41.192  193.689   71.383 -44.30597 82.41589 
1 1 1   26   20   16 o  585.260   43.874   8.5506   0.9567   8.2849   1.0355   10.099   2.4996  563.932   35.716  606.588   80.151 -42.65552 87.74844 
1 1 1   26   20   18 o  187.003   47.674   0.6457   0.4541   0.5341   0.4937   1.2587   1.1571  149.430   52.201  224.577   79.789 -75.14774 95.34761 
1 1 1   26   20   20 o  181.604   48.507   0.7256   0.4275   0.7847   0.4446   0.0000   1.5579  170.011   48.489  193.197   84.027 -23.18646 97.01369 
1 1 1   26   20   22 o  655.146   41.449   10.151   1.0450   9.5003   1.1328   13.871   2.7076  602.366   36.578  707.925   74.391 -105.5587 82.89794 
1 1 1   26   20   24 o  395.499   53.381   4.5460   0.8210   4.6157   0.9100   4.2411   1.9037  418.073   42.336  372.924   98.009 45.14938 106.7616 
1 1 1   26   20   26 o  188.639   42.424   0.9773   0.4015   0.9773   0.4015   0.0000   0.0000  188.639   42.424  ?   ?       ?      ? 
1 1 1   26   20   28 o  641.969   48.543   12.101   1.3217   12.719   1.5247   10.232   2.6509  692.094   42.849  591.844   87.119 100.2502 97.08662 
1 1 1   26   20   30 o  168.966   43.229   0.4375   0.3474   0.3172   0.3712   1.2877   0.9868  121.322   44.893  216.611   73.888 -95.28863 86.45724 
1 1 1   26   20   32 o  246.444   35.010   0.8925   0.3619   0.4668   0.3908   3.4636   0.9603  136.115   46.495  356.773   52.354 -220.6585 70.02010 
1 1 1   26   20   34 o  432.092   45.747   4.9112   0.7310   4.7065   0.7967   6.0011   1.8383  421.113   36.798  443.072   83.768 -21.95920 91.49384 
1 1 1   26   20   36 o  232.008   40.875   1.2880   0.4106   1.0776   0.4577   2.1547   0.9291  195.492   46.260  268.524   67.402 -73.03166 81.74937 
1 1 1   26   20   38 o  189.980   39.810   0.7989   0.3949   0.4653   0.4597   1.7386   0.7715  138.304   50.149  241.656   61.841 -103.3524 79.61971 
1 1 1   26   20   40 o  399.608   37.912   4.3162   0.7789   4.3162   0.7789   0.0000   0.0000  399.608   37.912  ?   ?       ?      ? 
1 1 1   26   20   42 o  215.340   40.814   1.5185   0.4431   1.6807   0.4962   0.8792   0.9851  247.974   38.918  182.707   71.753 65.26688 81.62785 
1 1 1   26   21    1 o  731.817   55.890   14.494   2.0778   11.884   2.9033   17.234   2.9750  661.144   85.412  802.489   72.107 -141.3452 111.7792 
1 1 1   26   21    3 o  240.344   56.330   1.5071   0.8117   1.4500   1.1610   1.5616   1.1353  237.527   80.149  243.161   79.172 -5.635086 112.6595 
1 1 1   26   21    5 o  868.144   44.538   18.397   1.8705   15.598   2.2327   24.984   3.4258  769.015   56.471  967.274   68.887 -198.2588 89.07514 
1 1 1   26   21    7 f  836.432   46.519   18.796   1.7572   18.979   2.0541   18.296   3.3930  851.345   46.930  821.518   80.335 29.82684 93.03810 
1 1 1   26   21    9 o  542.425   43.183   6.9855   1.0549   6.2045   1.2007   9.6285   2.2089  486.344   48.019  598.505   71.785 -112.1612 86.36513 
1 1 1   26   21   11 o  381.737   46.884   3.2903   0.7644   2.7672   0.8548   5.3783   1.7079  324.127   51.298  439.346   78.492 -115.2189 93.76839 
1 1 1   26   21   13 o  394.933   56.146   5.5331   0.8159   6.0932   0.8892   2.5515   2.0518  483.777   35.752  306.089  106.448 177.6881 112.2918 
1 1 1   26   21   15 o  274.013   46.828   2.3765   0.5261   2.5590   0.5686   1.2926   1.3858  313.418   35.288  234.609   86.755 78.80936 93.65698 
1 1 1   26   21   17 o  352.062   51.126   3.9750   0.6609   4.2257   0.7187   2.6027   1.6813  402.621   34.722  301.503   96.177 101.1187 102.2526 
1 1 1   26   21   19 o  545.154   43.426   7.0649   1.0369   6.3070   1.1654   9.9432   2.2712  488.680   46.387  601.628   73.427 -112.9480 86.85188 
1 1 1   26   21   21 o  798.286   39.903   14.071   1.2123   12.790   1.3047   22.169   3.2797  698.966   36.307  897.605   71.069 -198.6386 79.80583 
1 1 1   26   21   23 o  365.242   43.463   3.5280   0.8161   3.5280   0.8161   0.0000   0.0000  365.242   43.463  ?   ?       ?      ? 
1 1 1   26   21   25 o  469.101   35.703   5.7763   0.8611   5.7763   0.8611   0.0000   0.0000  469.101   35.703  ?   ?       ?      ? 
1 1 1   26   21   27 o  270.321   44.813   2.6928   0.5622   3.1104   0.6121   0.4429   1.4209  344.183   34.592  196.459   82.681 147.7245 89.62547 
1 1 1   26   21   29 o  371.506   54.647   4.2799   0.8324   4.4719   0.9323   3.5251   1.8482  409.427   44.290  333.584   99.918 75.84277 109.2945 
1 1 1   26   21   31 f  255.544   46.260   2.0291   0.4771   2.1261   0.5092   1.3315   1.3658  283.967   34.877  227.121   85.695 56.84579 92.52077 
1 1 1   26   21   33 o  181.357   43.570   0.7854   0.3519   0.7723   0.3721   0.8960   1.0830  166.633   43.111  196.080   75.728 -29.44669 87.13939 
1 1 1   26   21   35 o  301.625   46.494   2.6294   0.5503   2.6229   0.6025   2.6624   1.3521  313.645   37.362  289.604   85.151 24.04144 92.98735 
1 1 1   26   21   37 o  246.791   42.279   1.5534   0.4318   1.4103   0.4752   2.2317   1.0348  224.908   42.657  268.673   73.010 -43.76437 84.55787 
1 1 1   26   21   39 o  268.081   47.874   2.0402   0.6356   2.0402   0.6356   0.0000   0.0000  268.081   47.874  ?   ?       ?      ? 
1 1 1   26   21   41 o  222.703   40.900   1.3954   0.4510   1.3954   0.4510   0.0000   0.0000  222.703   40.900  ?   ?       ?      ? 
1 1 1   26   22    0 o  300.582  103.675   3.1090   1.4427   3.1090   1.4427   0.0000   0.0000  300.582  103.675  300.582  103.675 0.000000 0.000000 
1 1 1   26   22    2 o  691.883   55.054   12.936   1.9523   11.661   2.7239   14.284   2.7997  655.500   80.826  728.267   74.774 -72.76648 110.1087 
1 1 1   26   22    4 o  490.877   58.339   6.6786   1.4295   7.2903   1.9871   6.0224   2.0581  520.235   74.293  461.519   89.969 58.71664 116.6785 
1 1 1   26   22    6 o  645.735   45.508   10.515   1.4105   9.5387   1.6821   12.828   2.5890  601.256   54.416  690.213   72.959 -88.95673 91.01697 
1 1 1   26   22    8 o  244.662   50.427   1.6967   0.6025   1.8144   0.6703   1.2016   1.3743  258.029   52.317  231.295   86.222 26.73340 100.8530 
1 1 1   26   22   10 o  217.593   55.555   1.1279   0.7999   1.3329   1.0428   0.8348   1.2469  226.362   75.963  208.825   81.087 17.53717 111.1101 
1 1 1   26   22   12 o  284.339   51.201   2.3710   0.6622   2.5246   0.7362   1.7200   1.5160  309.979   46.193  258.699   91.391 51.28009 102.4012 
1 1 1   26   22   14 o  163.826   39.775   0.6369   0.3036   0.6607   0.3215   0.4401   0.9239  156.004   39.920  171.648   68.809 -15.64371 79.55045 
1 1 1   26   22   16 o  623.976   42.287   9.7328   1.0123   9.3939   1.1027   11.550   2.5535  599.956   35.749  647.997   76.646 -48.04108 84.57306 
1 1 1   26   22   18 o  252.754   51.521   1.5514   0.5728   1.4120   0.6284   2.2359   1.3927  225.711   54.720  279.797   87.312 -54.08583 103.0416 
1 1 1   26   22   20 o  505.555   44.292   6.3478   0.9413   5.9451   1.0486   8.0190   2.1362  474.780   42.958  536.330   77.470 -61.55029 88.58348 
1 1 1   26   22   22 o  272.055   43.758   1.9584   0.6120   1.9584   0.6120   0.0000   0.0000  272.055   43.758  ?   ?       ?      ? 
1 1 1   26   22   24 o  156.218   43.442   0.4700   0.2924   0.4943   0.2999   0.0000   1.3167  135.729   40.156  176.708   77.047 -40.97922 86.88329 
1 1 1   26   22   26 o  374.035   53.482   4.5887   0.7137   4.8343   0.7729   3.1680   1.8589  428.981   35.046  319.089  101.059 109.8921 106.9633 
1 1 1   26   22   28 o  578.153   43.488   8.4477   1.1139   7.7551   1.2650   10.839   2.3505  538.587   45.685  617.718   74.012 -79.13080 86.97631 
1 1 1   26   22   30 o  823.891   44.378   18.399   1.3874   18.165   1.5179   19.583   3.4198  829.710   35.584  818.072   81.310 11.63770 88.75526 
1 1 1   26   22   32 o  251.021   43.896   1.3309   0.4257   1.1099   0.4576   2.7538   1.1612  199.339   45.634  302.703   75.000 -103.3632 87.79221 
1 1 1   26   22   34 o  165.507   41.020   0.7359   0.3501   0.8160   0.3687  -0.0000   1.1178  170.966   42.201  160.048   70.353 10.91786 82.03904 
1 1 1   26   22   36 o  363.832   51.541   4.1407   0.7998   4.2854   0.9156   3.6748   1.6427  396.583   44.907  331.082   92.785 65.50171 103.0813 
1 1 1   26   22   38 o  240.351   51.947   1.6710   0.6232   1.6710   0.6232   0.0000   0.0000  240.351   51.947  ?   ?       ?      ? 
1 1 1   26   22   40 o  140.068   36.612   0.5037   0.3147   0.5959   0.3423   0.0000   0.8000  145.394   42.867  134.742   59.364 10.65228 73.22318 
1 1 1   26   22   42 o  323.384   47.746   3.5260   0.6550   3.7254   0.7436   2.8358   1.3835  367.839   39.320  278.929   87.020 88.90939 95.49137 
1 1 1   26   23    1 o  486.770   58.083   6.5453   1.4226   6.2482   2.0063   6.8457   2.0175  471.327   85.960  502.212   78.137 -30.88489 116.1660 
1 1 1   26   23    3 o  786.928   54.980   16.808   2.2228   16.791   3.0871   16.827   3.2032  787.298   76.268  786.559   79.210 0.7389526 109.9596 
1 1 1   26   23    5 o  512.539   47.338   6.5258   1.1773   5.5939   1.4108   8.6637   2.1368  458.788   59.810  566.291   73.393 -107.5034 94.67658 
1 1 1   26   23    7 o  673.353   57.377   13.963   1.5952   15.816   1.8958   9.4695   2.9524  775.874   47.526  570.832  104.450 205.0418 114.7538 
1 1 1   26   23    9 o  516.801   54.835   7.2118   1.4485   6.6008   1.9254   8.0084   2.1985  492.414   76.054  541.187   79.015 -48.77292 109.6705 
1 1 1   26   23   11 o  416.854   52.018   4.8122   0.9110   4.8239   1.0395   4.7736   1.8909  428.086   47.233  405.622   92.697 22.46402 104.0369 
1 1 1   26   23   13 o  286.305   45.020   1.9542   0.4554   1.8588   0.4845   2.6773   1.3341  267.009   35.295  305.601   82.835 -38.59213 90.04081 
1 1 1   26   23   15 f  419.466   55.652   5.7047   0.9397   6.3136   1.0689   3.6327   1.9716  490.218   42.412  348.715  102.908 141.5036 111.3045 
1 1 1   26   23   17 o  363.526   50.014   3.6882   0.7265   3.6944   0.8085   3.6622   1.6549  374.771   41.962  352.280   90.801 22.49133 100.0284 
1 1 1   26   23   19 o  489.669   59.130   6.4714   1.4886   6.4714   1.4886   0.0000   0.0000  489.669   59.130  ?   ?       ?      ? 
1 1 1   26   23   21 o  395.837   37.030   4.1132   0.7536   4.1132   0.7536   0.0000   0.0000  395.837   37.030  ?   ?       ?      ? 
1 1 1   26   23   23 o  715.386   43.493   12.267   1.1369   11.594   1.2205   16.674   3.1244  664.547   35.724  766.226   79.313 -101.6790 86.98680 
1 1 1   26   23   25 o  677.698   44.240   12.686   1.1399   12.725   1.2521   12.496   2.7551  696.000   34.990  659.396   81.268 36.60419 88.48009 
1 1 1   26   23   27 o  460.466   42.024   4.5553   0.7192   4.0712   0.7688   7.9478   2.0352  392.547   38.094  528.384   74.920 -135.8367 84.04822 
1 1 1   26   23   29 o  632.154   41.164   9.2646   1.1635   7.7212   1.3124   14.933   2.5150  535.538   47.665  728.770   67.125 -193.2319 82.32718 
1 1 1   26   23   31 o  382.490   52.565   4.9492   0.7357   5.2833   0.8065   3.2947   1.7948  447.058   35.091  317.923   99.102 129.1353 105.1309 
1 1 1   26   23   33 f  448.715   39.210   4.4946   0.7037   3.9356   0.7646   7.5939   1.8002  383.903   38.736  513.527   68.186 -129.6239 78.42049 
1 1 1   26   23   35 o  459.329   50.626   5.8214   0.9522   5.4784   1.0684   7.1453   2.0992  447.760   46.410  470.898   89.990 -23.13748 101.2523 
1 1 1   26   23   37 o  440.964   37.741   5.2355   0.8556   5.2355   0.8556   0.0000   0.0000  440.964   37.741  ?   ?       ?      ? 
1 1 1   26   23   39 o  359.664   47.196   3.5553   0.7425   3.1802   0.8479   4.7885   1.5375  336.603   48.997  382.724   80.679 -46.12064 94.39160 
1 1 1   26   23   41 o  219.912   43.932   1.4793   0.4484   1.4856   0.4952   1.4509   1.0558  227.777   43.880  212.047   76.123 15.73021 87.86423 
1 1 1   26   24    0 o  116.280   68.839   0.4053   0.7109   0.4053   0.7109   0.0000   0.0000  116.280   68.839  116.280   68.839 0.000000 0.000000 
1 1 1   26   24    2 f  576.290   58.931   9.2690   1.6773   11.072   2.3851   7.5049   2.3594  639.834   72.504  512.747   92.922 127.0873 117.8611 
1 1 1   26   24    4 o  997.726   55.651   27.337   2.8349   29.912   3.9366   24.563   4.0858  1051.00   72.852  944.449   84.146 106.5536 111.3011 
1 1 1   26   24    6 o  293.959   51.321   2.7530   0.8230   3.5423   0.9788   0.8473   1.5208  366.130   51.996  221.788   88.498 144.3415 102.6424 
1 1 1   26   24    8 o  177.443   45.373   0.7386   0.4753   0.8183   0.5320   0.4231   1.0583  175.334   53.842  179.552   73.048 -4.218521 90.74668 
1 1 1   26   24   10 o  225.540   46.612   1.0648   0.4929   0.7837   0.5511   2.1887   1.1020  172.837   55.054  278.242   75.232 -105.4044 93.22457 
1 1 1   26   24   12 o  393.186   54.103   4.2085   0.8464   4.1401   0.9383   4.5070   1.9606  396.363   46.045  390.009   97.921 6.354126 108.2064 
1 1 1   26   24   14 o  710.686   43.318   12.531   1.1528   12.062   1.2479   15.259   3.0103  679.559   35.718  741.814   78.929 -62.25500 86.63506 
1 1 1   26   24   16 o  163.667   41.596   0.4867   0.3140   0.4284   0.3338   0.9363   0.9265  130.167   42.956  197.168   71.243 -67.00150 83.19186 
1 1 1   26   24   18 o  405.755   62.768   4.4747   1.3094   4.4747   1.3094   0.0000   0.0000  405.755   62.768  ?   ?       ?      ? 
1 1 1   26   24   20 o  731.743   41.236   13.003   1.1656   12.287   1.2671   16.945   2.9717  684.443   36.008  779.043   74.196 -94.59967 82.47152 
1 1 1   26   24   22 o  265.346   44.515   2.5392   0.5547   2.9424   0.6064   0.4734   1.3727  334.851   35.223  195.840   81.767 139.0105 89.03093 
1 1 1   26   24   24 o  396.129   43.748   3.8655   0.6562   3.6149   0.7150   5.2018   1.6512  370.339   37.555  421.919   79.027 -51.57986 87.49596 
1 1 1   26   24   26 o  327.017   58.464   3.2934   0.9566   3.5043   1.1697   2.8671   1.6626  349.603   67.521  304.431   95.463 45.17154 116.9280 
1 1 1   26   24   28 o  391.069   47.961   3.8954   0.7915   3.5221   0.8897   5.3128   1.7336  361.648   47.850  420.490   83.135 -58.84204 95.92264 
1 1 1   26   24   30 o  196.503   43.319   1.1245   0.3964   1.2030   0.4200   0.4822   1.2007  209.209   40.511  183.796   76.584 25.41309 86.63837 
1 1 1   26   24   32 f  355.862   51.430   3.9547   0.6725   4.0548   0.7312   3.4054   1.7131  390.578   36.415  321.145   96.199 69.43387 102.8609 
1 1 1   26   24   34 o  189.243   42.811   0.5802   0.3754   0.3402   0.4066   1.9634   0.9761  124.863   46.830  253.623   71.681 -128.7601 85.62251 
1 1 1   26   24   36 o  198.958   44.918   1.1224   0.4486   1.1224   0.4486   0.0000   0.0000  198.958   44.918  ?   ?       ?      ? 
1 1 1   26   24   38 o  247.692   53.718   2.0953   0.8188   2.6946   1.0159   0.9847   1.3831  294.410   68.420  200.973   82.831 93.43735 107.4351 
1 1 1   26   24   40 o  222.085   39.328   1.8577   0.4933   2.2756   0.5460   0.0000   1.1510  289.169   36.724  155.002   69.557 134.1672 78.65672 
1 1 1   26   25    1 o  182.643   47.132   0.6189   0.6182   0.0000   0.8640   1.2684   0.8850  147.450   63.344  217.837   69.809 -70.38774 94.26406 
1 1 1   26   25    3 o  380.280   61.357   4.1254   1.1814   3.2087   1.6175   5.1736   1.7296  332.854   91.624  427.706   81.634 -94.85159 122.7148 
1 1 1   26   25    5 o  442.048   47.575   4.5845   0.9824   3.3119   1.1588   7.8343   1.8519  345.099   67.733  538.997   66.827 -193.8988 95.15012 
1 1 1   26   25    7 o  396.130   52.894   4.3611   0.9562   4.3657   1.1357   4.3499   1.7722  405.346   54.496  386.915   90.671 18.43027 105.7875 
1 1 1   26   25    9 o  291.084   58.796   2.4198   0.9260   2.1947   1.2975   2.6534   1.3220  278.170   83.811  303.998   82.485 -25.82755 117.5925 
1 1 1   26   25   11 o  477.597   51.437   6.0218   1.2303   5.3065   1.5425   7.2725   2.0396  441.924   67.889  513.271   77.291 -71.34653 102.8733 
1 1 1   26   25   13 o  428.057   38.172   3.4919   0.6400   2.8752   0.6877   7.4793   1.7487  330.921   40.422  525.193   64.764 -194.2719 76.34341 
1 1 1   26   25   15 o  377.805   42.453   3.7613   0.8246   3.7613   0.8246   0.0000   0.0000  377.805   42.453  ?   ?       ?      ? 
1 1 1   26   25   17 o  272.448   37.175   1.9473   0.5207   1.9473   0.5207   0.0000   0.0000  272.448   37.175  ?   ?       ?      ? 
1 1 1   26   25   19 o  333.870   52.270   3.0233   0.7110   2.9411   0.7844   3.4018   1.6835  332.731   45.856  335.009   93.945 -2.278778 104.5392 
1 1 1   26   25   21 o  600.596   43.600   9.3623   0.9996   9.1140   1.0906   10.667   2.4996  588.984   36.016  612.208   79.416 -23.22473 87.20089 
1 1 1   26   25   23 o  588.868   44.985   9.1076   0.9860   8.9023   1.0707   10.253   2.5291  581.785   35.795  595.952   82.543 -14.16699 89.97010 
1 1 1   26   25   25 o  232.361   45.137   1.2880   0.4229   1.1819   0.4554   1.9526   1.1397  206.933   44.147  257.789   78.743 -50.85565 90.27435 
1 1 1   26   25   27 o  336.199   49.798   3.1191   0.6047   3.0661   0.6509   3.4537   1.6347  340.496   37.181  331.902   92.396 8.594177 99.59621 
1 1 1   26   25   29 o  562.482   45.951   8.1266   1.1072   7.5200   1.2418   10.479   2.4453  528.391   45.711  596.574   79.727 -68.18311 91.90120 
1 1 1   26   25   31 o  174.994   40.006   0.9110   0.3745   1.0434   0.4009   0.0000   1.0511  193.890   41.467  156.098   68.428 37.79253 80.01212 
1 1 1   26   25   33 o  246.759   46.280   2.1139   0.6050   2.4641   0.6675   0.5029   1.4317  301.713   43.033  191.805   81.948 109.9074 92.55933 
1 1 1   26   25   35 o  304.456   38.805   2.4989   0.6074   2.4989   0.6074   0.0000   0.0000  304.456   38.805  ?   ?       ?      ? 
1 1 1   26   25   37 o  178.632   40.127   1.0113   0.3905   1.1585   0.4180   0.0000   1.0955  202.769   41.494  154.495   68.694 48.27391 80.25374 
1 1 1   26   25   39 o  285.533   44.246   3.5135   0.6646   4.2070   0.7273   0.0000   1.6369  393.868   35.915  177.197   80.876 216.6719 88.49200 
1 1 1   26   26    0 f  233.134  105.082   2.1253   1.3506   2.1253   1.3506   0.0000   0.0000  233.134  105.082  233.134  105.082 0.000000 0.000000 
1 1 1   26   26    2 f  467.522   84.787   6.2260   1.9629   6.2260   1.9629   0.0000   0.0000  467.522   84.787  ?   ?       ?      ? 
1 1 1   26   26    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   26    6 o  174.683   62.832   0.7139   0.7196   0.7139   0.7196   0.0000   0.0000  174.683   62.832  ?   ?       ?      ? 
1 1 1   26   26    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   26   10 o  325.537   72.464   3.0080   1.1816   3.0080   1.1816   0.0000   0.0000  325.537   72.464  ?   ?       ?      ? 
1 1 1   26   26   12 o  255.402   36.993   1.7080   0.4858   1.7080   0.4858   0.0000   0.0000  255.402   36.993  ?   ?       ?      ? 
1 1 1   26   26   14 o  476.096   33.020   5.9181   0.8083   5.9181   0.8083   0.0000   0.0000  476.096   33.020  ?   ?       ?      ? 
1 1 1   26   26   16 o  341.868   46.325   2.5293   0.5486   2.2884   0.5822   4.4324   1.6366  295.066   38.381  388.670   84.327 -93.60385 92.65060 
1 1 1   26   26   18 o  482.272   62.329   7.1195   1.4408   8.2415   1.8666   5.4657   2.2661  547.018   66.372  417.526  105.521 129.4920 124.6588 
1 1 1   26   26   20 o  148.074   37.017   0.5530   0.2897   0.6239   0.3078   0.0000   0.8592  151.022   39.269  145.127   62.760 5.894760 74.03330 
1 1 1   26   26   22 o  204.743   41.701   1.2428   0.3918   1.3434   0.4175   0.4995   1.1348  225.955   35.936  183.532   75.263 42.42229 83.40218 
1 1 1   26   26   24 o  222.702   45.019   1.4074   0.4372   1.4630   0.4665   1.0073   1.2519  235.192   38.581  210.213   81.354 24.97902 90.03896 
1 1 1   26   26   26 f  299.713   46.738   2.2744   0.5189   2.1581   0.5577   3.0233   1.4151  285.464   38.001  313.963   85.403 -28.49881 93.47606 
1 1 1   26   26   28 o  213.315   51.396   1.0234   0.6381   0.6180   0.7549   2.0377   1.1941  166.865   63.529  259.765   80.812 -92.89987 102.7930 
1 1 1   26   26   30 o  189.241   42.852   1.0234   0.3911   1.0927   0.4169   0.5155   1.1290  198.305   42.189  180.177   74.601 18.12808 85.70415 
1 1 1   26   26   32 o  274.954   50.451   2.5062   0.6427   2.6982   0.7039   1.5444   1.5757  315.632   43.376  234.276   91.102 81.35565 100.9013 
1 1 1   26   26   34 f  307.651   38.202   2.5470   0.6043   2.5470   0.6043   0.0000   0.0000  307.651   38.202  ?   ?       ?      ? 
1 1 1   26   26   36 o  293.085   49.598   2.3532   0.5653   2.2215   0.6102   3.1504   1.5017  285.113   41.625  301.057   90.041 -15.94354 99.19697 
1 1 1   26   26   38 o  403.659   58.118   5.4366   1.1592   5.5181   1.4954   5.3140   1.8348  423.336   68.709  383.983   93.755 39.35358 116.2369 
1 1 1   26   27    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   27    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   27    5 o  366.970   61.187   3.9476   1.1318   4.1669   1.5116   3.6677   1.7075  381.579   79.627  352.361   92.924 29.21811 122.3737 
1 1 1   26   27    7 o  274.223   59.810   2.0400   0.9198   1.5755   1.1817   2.7542   1.4650  241.182   80.862  307.264   88.149 -66.08214 119.6199 
1 1 1   26   27    9 o  601.237   49.604   9.6466   1.3843   9.2966   1.6289   10.557   2.6269  589.927   53.706  612.546   83.413 -22.61853 99.20720 
1 1 1   26   27   11 o  177.170   51.592   0.8558   0.4985   0.8558   0.4985   0.0000   0.0000  177.170   51.592  ?   ?       ?      ? 
1 1 1   26   27   13 o  537.933   39.379   6.5442   0.7893   6.0503   0.8474   9.7796   2.1689  480.952   34.272  594.914   70.911 -113.9620 78.75824 
1 1 1   26   27   15 o  301.369   49.187   2.5435   0.5559   2.5494   0.5978   2.5054   1.5128  311.532   37.322  291.207   91.019 20.32492 98.37378 
1 1 1   26   27   17 o  262.139   45.660   2.4193   0.5525   2.7451   0.5977   0.5075   1.4478  323.335   35.955  200.942   83.943 122.3927 91.31929 
1 1 1   26   27   19 o  523.525   53.641   8.2294   0.9595   8.4280   1.0451   7.1647   2.4198  566.239   35.901  480.811  101.097 85.42813 107.2822 
1 1 1   26   27   21 f  528.545   43.468   7.0438   0.8688   6.7506   0.9428   8.6956   2.2378  506.360   36.215  550.731   79.035 -44.37140 86.93681 
1 1 1   26   27   23 o  200.909   42.075   0.6505   0.3186   0.4964   0.3355   2.0590   1.0145  136.790   42.884  265.028   72.403 -128.2380 84.14985 
1 1 1   26   27   25 o  256.829   44.766   2.1939   0.5093   2.4119   0.5553   1.0393   1.2780  302.263   35.735  211.395   82.091 90.86761 89.53123 
1 1 1   26   27   27 f  619.599   46.293   10.421   1.0581   10.237   1.1495   11.442   2.7081  621.840   35.954  617.358   85.320 4.482117 92.58649 
1 1 1   26   27   29 o  232.408   46.196   1.4407   0.4251   1.4241   0.4500   1.5781   1.2957  231.178   37.865  233.638   84.276 -2.460190 92.39162 
1 1 1   26   27   31 o  255.197   50.458   1.8461   0.6386   1.8461   0.6386   0.0000   0.0000  255.197   50.458  ?   ?       ?      ? 
1 1 1   26   27   33 o  184.698   40.994   1.0694   0.3827   1.1918   0.4041   0.0000   1.1941  207.260   39.359  162.137   71.924 45.12273 81.98866 
1 1 1   26   27   35 o  250.580   39.863   1.7068   0.5136   1.7068   0.5136   0.0000   0.0000  250.580   39.863  ?   ?       ?      ? 
1 1 1   26   27   37 o  279.738   45.954   3.0234   0.6064   3.4370   0.6680   1.0862   1.4456  355.975   36.498  203.501   84.349 152.4743 91.90717 
1 1 1   26   28    0 o  120.608   71.492   0.4452   0.7684   0.0000   0.0000   0.4452   0.7684  120.608   71.492  120.608   71.492 -0.000000 0.000000 
1 1 1   26   28    2 o  379.694   62.003   4.1962   1.2026   3.0461   1.6494   5.5014   1.7571  320.956   93.954  438.431   80.933 -117.4744 124.0057 
1 1 1   26   28    4 f  700.296   56.932   13.739   2.0453   14.364   2.8532   13.078   2.9335  719.018   77.183  681.575   83.714 37.44299 113.8647 
1 1 1   26   28    6 o  319.054   53.415   2.7858   0.8063   2.5718   0.9603   3.2972   1.4843  302.859   63.690  335.248   85.769 -32.38947 106.8309 
1 1 1   26   28    8 o  552.611   59.907   8.8471   1.6294   9.9832   2.2280   7.5407   2.3892  601.255   72.076  503.966   95.710 97.28827 119.8136 
1 1 1   26   28   10 o  252.393   41.836   1.8670   0.5676   2.5463   0.7486   0.9488   0.8704  309.694   47.016  195.092   69.213 114.6018 83.67162 
1 1 1   26   28   12 o  555.659   42.578   7.7292   0.8601   7.4680   0.9261   9.3678   2.3198  534.317   33.714  577.000   78.198 -42.68286 85.15630 
1 1 1   26   28   14 o  320.163   47.851   2.4436   0.5217   2.3080   0.5529   3.5447   1.5751  296.495   36.271  343.830   88.563 -47.33459 95.70229 
1 1 1   26   28   16 o  185.442   43.010   0.9109   0.3734   0.9605   0.3962   0.5173   1.1164  186.966   42.220  183.918   74.947 3.048508 86.02090 
1 1 1   26   28   18 o  493.513   60.551   7.1115   1.4615   6.9797   1.8699   7.3184   2.3427  497.916   73.047  489.110   96.590 8.806366 121.1011 
1 1 1   26   28   20 o  216.430   45.358   1.3072   0.4315   1.3442   0.4620   1.0542   1.2078  221.665   42.075  211.195   80.369 10.47000 90.71626 
1 1 1   26   28   22 o  242.058   45.468   1.8091   0.4680   1.9171   0.5003   1.0535   1.3234  269.620   36.091  214.497   83.468 55.12276 90.93689 
1 1 1   26   28   24 o  276.386   47.000   1.8769   0.4695   1.7765   0.4989   2.6530   1.3871  259.024   37.463  293.748   86.211 -34.72479 93.99919 
1 1 1   26   28   26 o  246.800   45.001   1.5307   0.4427   1.4275   0.4785   2.1453   1.1677  227.658   42.441  265.943   79.367 -38.28503 90.00163 
1 1 1   26   28   28 o  341.198   52.406   3.1456   0.9119   1.9184   1.1361   5.3688   1.5291  250.982   78.948  431.414   68.941 -180.4323 104.8119 
1 1 1   26   28   30 o  529.915   45.165   7.6389   1.2305   7.6389   1.2305   0.0000   0.0000  529.915   45.165  ?   ?       ?      ? 
1 1 1   26   28   32 o  332.461   51.191   3.0613   0.6220   2.9388   0.6685   3.8523   1.6979  330.038   39.395  334.884   94.500 -4.846130 102.3828 
1 1 1   26   28   34 f  437.383   56.924   6.4300   0.8688   6.6026   0.9459   5.4978   2.1978  494.644   37.194  380.122  107.602 114.5220 113.8485 
1 1 1   26   28   36 o  170.048   40.568   0.8799   0.3880   1.0066   0.4151   0.0000   1.0935  187.258   43.879  152.839   68.248 34.41820 81.13670 
1 1 1   26   29    1 o  268.375   58.639   2.0562   0.8946   1.8009   1.2524   2.3222   1.2783  253.746   83.181  283.004   82.675 -29.25781 117.2785 
1 1 1   26   29    3 o  242.036   56.146   1.6204   0.8158   1.3094   1.1909   1.8953   1.1198  226.187   80.882  257.884   77.893 -31.69733 112.2914 
1 1 1   26   29    5 o  259.704   49.324   1.8023   0.8222   3.4251   1.1335   0.0000   1.1945  349.407   65.506  170.002   73.758 179.4046 98.64730 
1 1 1   26   29    7 o  632.646   58.846   11.384   1.9000   11.594   2.5596   11.126   2.8356  643.191   77.404  622.101   88.656 21.08966 117.6916 
1 1 1   26   29    9 o  208.122   44.407   0.5706   0.3512   0.3819   0.3687   2.4200   1.1543  127.517   45.069  288.726   76.528 -161.2086 88.81310 
1 1 1   26   29   11 o  149.023   37.040   0.4344   0.2544   0.3922   0.2714   0.7393   0.7292  122.603   38.591  175.443   63.233 -52.84048 74.07907 
1 1 1   26   29   13 o  146.194   37.830   0.4915   0.2547   0.5285   0.2641   0.0000   0.9618  139.313   36.453  153.076   66.299 -13.76288 75.65935 
1 1 1   26   29   15 o  541.793   42.286   6.7842   0.8269   6.3340   0.8837   9.9544   2.3450  491.169   34.995  592.417   76.991 -101.2488 84.57143 
1 1 1   26   29   17 o  372.523   62.052   4.1796   1.1519   4.1231   1.4867   4.2645   1.8222  373.892   79.770  371.154   95.070 2.737122 124.1033 
1 1 1   26   29   19 o  262.788   47.687   2.0466   0.5099   2.1124   0.5474   1.6151   1.4014  282.862   37.641  242.714   87.631 40.14774 95.37317 
1 1 1   26   29   21 o  277.337   45.991   1.8572   0.4785   1.7293   0.5130   2.7150   1.3282  255.448   39.057  299.227   83.278 -43.77863 91.98243 
1 1 1   26   29   23 o  379.579   38.012   2.8558   0.5688   2.3591   0.6125   5.9684   1.5334  297.803   40.006  461.354   64.647 -163.5508 76.02441 
1 1 1   26   29   25 f  318.469   47.746   2.7144   0.5667   2.6186   0.6126   3.2824   1.4922  313.869   37.963  323.070   87.622 -9.201691 95.49290 
1 1 1   26   29   27 o  228.118   46.874   1.1526   0.6022   0.4454   0.7242   2.7370   1.0840  154.192   61.215  302.044   71.004 -147.8519 93.74826 
1 1 1   26   29   29 f  638.448   43.556   11.050   1.4297   11.050   1.4297   0.0000   0.0000  638.448   43.556  ?   ?       ?      ? 
1 1 1   26   29   31 o  273.528   52.052   2.2208   0.5413   2.2183   0.5700   2.2441   1.7250  286.980   38.636  260.076   96.668 26.90338 104.1033 
1 1 1   26   29   33 o  200.446   45.465   1.1123   0.4129   1.1089   0.4398   1.1374   1.1974  197.352   44.420  203.541   79.343 -6.189163 90.93100 
1 1 1   26   29   35 o  166.872   41.393   0.7982   0.3609   0.8779   0.3785   0.0000   1.1980  175.213   42.464  158.532   71.065 16.68076 82.78577 
1 1 1   26   30    0 o  156.087   86.541   0.9318   1.0211   0.9318   1.0211   0.0000   0.0000  156.087   86.541  156.087   86.541 0.000000 0.000000 
1 1 1   26   30    2 o  284.845   55.630   2.0818   0.9653   4.1021   1.4516   0.4799   1.2925  376.878   77.504  192.812   79.825 184.0661 111.2605 
1 1 1   26   30    4 o  185.491   50.282   0.6891   0.6757   0.4426   0.9195   0.9786   0.9962  169.684   68.424  201.297   73.698 -31.61322 100.5645 
1 1 1   26   30    6 o  352.335   63.010   3.5665   1.1491   2.6023   1.4955   4.9559   1.7953  296.039   90.154  408.630   88.052 -112.5916 126.0193 
1 1 1   26   30    8 o  145.456   40.713   0.3286   0.2754   0.3145   0.2867   0.4967   0.9905  114.657   39.799  176.255   71.038 -61.59817 81.42693 
1 1 1   26   30   10 o  232.031   40.932   1.2489   0.4359   0.9579   0.4981   2.2001   0.9005  185.972   50.702  278.090   64.272 -92.11826 81.86343 
1 1 1   26   30   12 o  344.023   47.474   2.8216   0.5525   2.6572   0.5864   4.1194   1.6478  317.992   35.869  370.054   87.913 -52.06146 94.94870 
1 1 1   26   30   14 o  287.254   44.212   1.5544   0.4362   1.3154   0.4598   3.7021   1.3783  219.299   42.318  355.209   77.641 -135.9105 88.42471 
1 1 1   26   30   16 o  153.826   41.640   0.4597   0.3772   0.4420   0.4159   0.5416   0.8960  135.691   47.874  171.962   68.145 -36.27090 83.28025 
1 1 1   26   30   18 o  174.133   39.163   0.8911   0.3497   1.0103   0.3724   0.0000   1.0183  192.168   39.023  156.098   67.912 36.07002 78.32539 
1 1 1   26   30   20 o  395.244   51.350   4.1936   0.7005   4.0735   0.7515   4.9895   1.9344  392.483   37.244  398.005   95.709 -5.521973 102.6998 
1 1 1   26   30   22 o  208.925   43.863   1.1915   0.3954   1.2032   0.4229   1.1100   1.1147  209.255   40.779  208.595   77.673 0.6607361 87.72662 
1 1 1   26   30   24 o  433.592   58.322   6.9302   0.8760   7.4745   0.9517   3.9129   2.2408  531.525   34.827  335.659  111.324 195.8662 116.6441 
1 1 1   26   30   26 o  191.466   43.650   1.0676   0.4419   1.1691   0.4844   0.5642   1.0790  203.626   47.195  179.306   73.444 24.31987 87.30038 
1 1 1   26   30   28 o  409.793   47.248   4.5969   0.9955   4.5969   0.9955   0.0000   0.0000  409.793   47.248  ?   ?       ?      ? 
1 1 1   26   30   30 o  380.272   46.468   3.7527   0.6494   3.5102   0.7035   5.1494   1.6884  361.264   37.878  399.279   84.866 -38.01471 92.93504 
1 1 1   26   30   32 o  150.156   39.973   0.4842   0.2925   0.4738   0.3080   0.5795   0.9323  131.578   41.063  168.735   68.594 -37.15706 79.94532 
1 1 1   26   30   34 o  260.551   49.469   1.9646   0.5095   1.9133   0.5423   2.3507   1.4870  264.351   39.905  256.751   90.533 7.600250 98.93757 
1 1 1   26   31    1 o  195.687   35.568   1.0675   0.3614   0.9307   0.5227   1.1930   0.5004  183.721   52.636  207.653   47.851 -23.93219 71.13541 
1 1 1   26   31    3 o  216.330   36.991   1.2966   0.4087   1.0810   0.5624   1.5379   0.5951  197.131   53.928  235.530   50.645 -38.39891 73.98109 
1 1 1   26   31    5 o  653.364   46.138   10.871   1.3411   10.048   1.5278   13.632   2.7997  613.322   48.451  693.406   78.533 -80.08417 92.27629 
1 1 1   26   31    7 o  194.113   43.850   1.0428   0.4031   1.1140   0.4292   0.5091   1.1745  201.492   42.756  186.735   76.572 14.75618 87.70063 
1 1 1   26   31    9 o  185.658   42.993   0.9339   0.3993   1.0027   0.4305   0.5101   1.0685  190.570   44.708  180.746   73.450 9.823456 85.98603 
1 1 1   26   31   11 o  302.710   39.176   2.2426   0.5601   1.8007   0.6616   3.3611   1.0525  254.343   52.338  351.076   58.308 -96.73351 78.35242 
1 1 1   26   31   13 o  213.253   47.139   1.0820   0.4527   0.9880   0.4920   1.5995   1.1549  188.389   49.977  238.117   79.940 -49.72731 94.27710 
1 1 1   26   31   15 o  513.045   45.249   5.9335   1.0645   4.4150   1.2152   10.942   2.2070  401.307   58.899  624.782   68.707 -223.4756 90.49751 
1 1 1   26   31   17 o  156.247   45.920   0.2171   0.5979   0.0000   0.7643   0.5596   0.9599  136.693   59.151  175.801   70.255 -39.10814 91.84073 
1 1 1   26   31   19 o  352.363   44.054   2.6143   0.5768   2.2425   0.6185   5.0902   1.5962  290.109   41.470  414.617   77.738 -124.5076 88.10788 
1 1 1   26   31   21 o  375.941   54.930   4.2829   0.8748   4.3647   0.9919   3.9965   1.8563  401.660   48.034  350.222   98.802 51.43817 109.8593 
1 1 1   26   31   23 o  649.103   43.027   9.9762   1.0427   9.2109   1.1215   14.860   2.8330  588.733   37.051  709.473   77.669 -120.7393 86.05372 
1 1 1   26   31   25 o  149.672   45.908   0.6142   0.3869   0.6142   0.3869   0.0000   0.0000  149.672   45.908  ?   ?       ?      ? 
1 1 1   26   31   27 o  336.086   58.772   3.3990   0.9891   2.6858   1.2384   4.6555   1.6436  291.181   80.177  380.992   85.956 -89.81097 117.5449 
1 1 1   26   31   29 o  264.163   44.546   1.6402   0.4573   1.4273   0.4940   2.9157   1.2090  225.244   44.236  303.081   77.334 -77.83691 89.09188 
1 1 1   26   31   31 o  175.010   42.958   0.6794   0.3314   0.6191   0.3507   1.1815   1.0118  148.351   43.295  201.670   74.209 -53.31850 85.91515 
1 1 1   26   31   33 o  383.699   48.446   3.7470   0.6980   3.3590   0.7561   5.9857   1.8160  348.987   42.141  418.412   87.247 -69.42477 96.89133 
1 1 1   26   32    0 o  331.202   66.612   3.6679   0.9299   3.4100   1.6854   3.7809   1.1150  301.297  115.282  361.107   66.774 0.000000 0.000000 
1 1 1   26   32    2 o  574.053   33.417   8.8108   0.9838   8.1052   1.3895   9.5200   1.3931  550.114   49.128  597.992   45.313 -47.87756 66.83398 
1 1 1   26   32    4 o  685.208   46.392   11.849   1.4053   10.845   1.5937   15.360   2.9801  636.441   48.705  733.976   78.974 -97.53455 92.78465 
1 1 1   26   32    6 o  561.369   33.448   8.4341   0.9637   8.7040   1.3402   8.1451   1.3869  571.433   45.617  551.306   48.931 20.12665 66.89654 
1 1 1   26   32    8 o  131.439   31.762   0.4288   0.2549   0.4421   0.3284   0.4085   0.4043  130.825   42.581  132.054   47.139 -1.229080 63.52340 
1 1 1   26   32   10 o  177.903   36.781   0.8593   0.3508   0.8073   0.4474   0.9424   0.5651  171.121   48.588  184.686   55.233 -13.56496 73.56268 
1 1 1   26   32   12 o  434.039   50.558   4.7866   0.8723   4.4228   0.9631   6.4489   2.0587  406.649   46.065  461.429   90.013 -54.78027 101.1152 
1 1 1   26   32   14 o  408.621   59.440   5.4838   1.0741   6.0578   1.2498   3.8623   2.1005  473.244   51.368  343.998  107.209 129.2465 118.8802 
1 1 1   26   32   16 o  503.929   49.137   5.7281   1.1086   3.7360   1.2756   11.876   2.2410  357.738   71.850  650.121   67.046 -292.3828 98.27302 
1 1 1   26   32   18 o  194.367   49.786   0.8653   0.5117   0.8112   0.5580   1.1521   1.2841  172.664   55.438  216.071   82.712 -43.40678 99.57276 
1 1 1   26   32   20 o  283.658   51.799   1.9623   0.6633   1.5420   0.7488   3.4946   1.4296  230.662   61.866  336.654   83.099 -105.9926 103.5989 
1 1 1   26   32   22 o  203.423   51.158   1.1096   0.6459   1.0771   0.7880   1.1761   1.1272  196.454   66.033  210.392   78.155 -13.93787 102.3157 
1 1 1   26   32   24 o  477.453   36.801   6.0779   0.9034   6.0779   0.9034   0.0000   0.0000  477.453   36.801  ?   ?       ?      ? 
1 1 1   26   32   26 o  393.321   56.697   4.5046   0.9030   4.3088   1.0029   5.3434   2.0759  395.199   49.360  391.443  102.087 3.756866 113.3941 
1 1 1   26   32   28 o  242.445   47.522   1.6637   0.4807   1.6436   0.5147   1.8011   1.3455  246.210   40.663  238.680   85.906 7.529739 95.04424 
1 1 1   26   32   30 o  521.985   54.500   8.1156   0.9755   7.9586   1.0560   9.0289   2.5468  542.279   37.878  501.691  102.208 40.58792 109.0010 
1 1 1   26   32   32 o  227.331   49.743   1.2589   0.4877   1.0662   0.5260   2.4399   1.3024  189.855   52.242  264.806   84.667 -74.95119 99.48700 
1 1 1   26   33    1 o  237.370   37.786   1.5746   0.4510   1.8056   0.6503   1.3605   0.6259  254.895   51.399  219.845   55.400 35.05029 75.57137 
1 1 1   26   33    3 o  161.913   52.227   0.6965   0.4948   0.6965   0.4948   0.0000   0.0000  161.913   52.227  ?   ?       ?      ? 
1 1 1   26   33    5 o  388.706   43.800   4.4495   0.7967   5.2322   1.0289   3.2776   1.2590  442.853   45.189  334.559   75.045 108.2944 87.59956 
1 1 1   26   33    7 o  132.377   31.908   0.4420   0.2609   0.5203   0.3293   0.3099   0.4277  139.296   42.278  125.457   47.804 13.83949 63.81687 
1 1 1   26   33    9 o  464.363   36.423   5.6876   0.8244   5.4025   1.0062   6.2699   1.4380  450.328   43.458  478.398   58.464 -28.06946 72.84612 
1 1 1   26   33   11 o  199.774   36.943   1.1176   0.3800   1.1118   0.4966   1.1259   0.5903  199.512   48.813  200.036   55.465 -0.5247192 73.88538 
1 1 1   26   33   13 o  359.933   37.959   3.6375   0.6617   3.2112   1.0340   3.9330   0.8611  336.148   62.116  383.717   43.646 -47.56857 75.91720 
1 1 1   26   33   15 o  391.990   55.820   4.5281   1.0023   4.5132   1.1867   4.5652   1.8724  405.124   56.974  378.857   96.007 26.26724 111.6398 
1 1 1   26   33   17 o  344.646   43.747   2.4800   0.6318   1.9037   0.6943   5.2585   1.5245  259.626   53.782  429.666   69.013 -170.0393 87.49489 
1 1 1   26   33   19 o  265.271   56.899   2.1901   0.8482   2.4339   1.0711   1.7801   1.3890  284.739   72.866  245.802   87.411 38.93700 113.7986 
1 1 1   26   33   21 o  271.335   73.954   2.2374   1.0599   2.2374   1.0599   0.0000   0.0000  271.335   73.954  ?   ?       ?      ? 
1 1 1   26   33   23 o  149.317   51.808   0.5764   0.4859   0.5764   0.4859   0.0000   0.0000  149.317   51.808  ?   ?       ?      ? 
1 1 1   26   33   25 o  544.765   46.134   7.0446   1.0958   5.8105   1.2216   12.127   2.4791  456.822   52.012  632.709   76.212 -175.8874 92.26871 
1 1 1   26   33   27 o  174.061   42.978   0.8780   0.4583   1.0554   0.5025   0.0000   1.1178  191.108   50.412  157.014   69.621 34.09384 85.95618 
1 1 1   26   33   29 o  317.567   50.600   2.4300   0.5594   2.1981   0.5925   4.3365   1.6987  283.796   40.607  351.338   92.696 -67.54187 101.2007 
1 1 1   26   33   31 o  240.458   45.857   1.4389   0.4410   1.2706   0.4751   2.4855   1.1849  210.087   45.319  270.830   79.734 -60.74294 91.71354 
1 1 1   26   34    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   34    2 o  274.108   62.141   2.1460   0.8555   2.1460   0.8555   0.0000   0.0000  274.108   62.141  ?   ?       ?      ? 
1 1 1   26   34    4 o  448.213   38.685   5.4883   0.8641   5.5729   1.1027   5.3535   1.3911  455.919   47.044  440.507   61.424 15.41202 77.36979 
1 1 1   26   34    6 o  249.963   41.158   1.8513   0.5386   2.3489   0.7011   1.1347   0.8414  296.159   46.045  203.768   68.234 92.39099 82.31612 
1 1 1   26   34    8 o  428.542   32.427   4.9534   0.6980   5.0913   0.9049   4.7509   1.0968  437.974   40.187  419.109   50.903 18.86536 64.85457 
1 1 1   26   34   10 o  288.653   36.026   2.2706   0.5182   2.1682   0.6824   2.4101   0.7964  284.080   46.726  293.227   54.846 -9.147186 72.05128 
1 1 1   26   34   12 o  269.934   40.764   2.0009   0.5354   2.3998   0.8810   1.7673   0.6742  289.602   61.094  250.266   53.986 39.33508 81.52859 
1 1 1   26   34   14 o  547.875   45.287   6.9180   1.0553   5.8954   1.1671   11.503   2.4710  466.684   48.642  629.065   76.404 -162.3811 90.57351 
1 1 1   26   34   16 o  384.644   56.466   5.2859   0.9912   2.6841   1.9182   6.2336   1.1577  289.164  102.732  480.124   46.901 -190.9601 112.9315 
1 1 1   26   34   18 o  180.580   57.028   0.9098   0.5923   0.9098   0.5923   0.0000   0.0000  180.580   57.028  ?   ?       ?      ? 
1 1 1   26   34   20 o  327.326   53.172   2.9638   0.8948   2.9638   0.8948   0.0000   0.0000  327.326   53.172  ?   ?       ?      ? 
1 1 1   26   34   22 o  167.643   45.613   0.6302   0.4880   0.6337   0.5517   0.6176   1.0463  156.508   55.147  178.778   72.671 -22.26923 91.22700 
1 1 1   26   34   24 o  282.537   48.513   1.8892   0.5971   1.4399   0.6665   3.7162   1.3441  221.186   57.927  343.888   77.836 -122.7017 97.02529 
1 1 1   26   34   26 o  214.180   54.265   1.3683   0.7289   1.4181   0.8682   1.2496   1.3415  215.773   69.141  212.588   83.656 3.185577 108.5305 
1 1 1   26   34   28 o  128.986   39.792   0.1516   0.3590   0.1733   0.3838   0.0000   1.0151  108.685   44.075  149.288   66.264 -40.60230 79.58374 
1 1 1   26   34   30 o  224.458   47.892   1.3597   0.4357   1.2921   0.4614   1.9181   1.3253  212.508   43.690  236.409   85.240 -23.90100 95.78474 
1 1 1   26   35    1 o  184.392   53.896   0.9474   0.5431   0.0000   0.0000   0.9474   0.5431  ?   ?   184.392   53.896      ?      ? 
1 1 1   26   35    3 o  281.823   54.298   2.2260   0.7582   0.0000   0.0000   2.2260   0.7582  ?   ?   281.823   54.298      ?      ? 
1 1 1   26   35    5 o  179.478   38.297   0.8860   0.3813   0.9625   0.5712   0.8245   0.5121  185.855   55.521  173.101   52.764 12.75397 76.59402 
1 1 1   26   35    7 o  393.208   35.678   4.1691   0.7161   3.5319   0.9803   4.8979   1.0484  360.126   52.948  426.289   47.836 -66.16281 71.35694 
1 1 1   26   35    9 o  186.398   40.603   0.9682   0.4244   0.9295   0.6619   0.9952   0.5530  184.529   60.471  188.267   54.200 -3.738770 81.20604 
1 1 1   26   35   11 f  140.595   37.329   0.3606   0.3688   0.6921   0.5828   0.1391   0.4764  163.837   56.748  117.352   48.513 46.48497 74.65833 
1 1 1   26   35   13 o  540.503   53.541   8.2238   1.3532   7.8063   1.5998   9.2736   2.5368  530.031   58.707  550.976   89.554 -20.94574 107.0813 
1 1 1   26   35   15 o  195.156   47.023   1.0338   0.5495   1.1125   0.9165   0.9896   0.6866  201.768   71.082  188.544   61.579 13.22423 94.04606 
1 1 1   26   35   17 o  225.715   38.633   1.5853   0.4751   2.0845   0.5957   0.7126   0.7876  278.517   41.599  172.913   65.112 105.6041 77.26588 
1 1 1   26   35   19 o  244.872   42.639   1.7485   0.5319   1.8855   0.7884   1.6341   0.7206  253.350   61.212  236.395   59.375 16.95583 85.27735 
1 1 1   26   35   21 o  168.751   45.321   0.7092   0.4669   0.8212   0.5024   0.0000   1.2645  170.606   52.311  166.895   74.024 3.711334 90.64178 
1 1 1   26   35   23 o  298.737   54.726   2.8693   0.7757   2.9579   0.8751   2.5445   1.6760  325.026   52.368  272.448   96.111 52.57773 109.4515 
1 1 1   26   35   25 o  204.541   51.371   1.2331   0.7565   1.8098   0.9165   0.0000   1.3401  240.883   69.902  168.200   75.297 72.68298 102.7422 
1 1 1   26   35   27 o  231.800   55.485   1.4874   0.7253   1.0768   0.8512   2.5756   1.3859  191.726   68.401  271.874   87.381 -80.14783 110.9693 
1 1 1   26   35   29 o  234.617   50.803   1.4435   0.5580   1.1745   0.6193   2.6040   1.2862  196.790   57.562  272.444   83.727 -75.65361 101.6054 
1 1 1   26   36    0 o  565.172   54.177   8.0420   1.3756   13.286   2.4960   5.7544   1.6486  689.710   72.202  440.634   80.793 0.000000 0.000000 
1 1 1   26   36    2 o  367.143   34.791   3.6499   0.6563   3.7035   0.9173   3.5937   0.9394  370.282   48.187  364.003   50.198 6.279480 69.58287 
1 1 1   26   36    4 o  366.373   55.237   3.9520   0.9768   4.0470   1.6861   3.9041   1.1985  358.752   91.212  373.994   62.329 -15.24164 110.4737 
1 1 1   26   36    6 o  403.199   61.596   4.5353   1.2769   0.0000   0.0000   4.5353   1.2769  ?   ?   403.199   61.596      ?      ? 
1 1 1   26   36    8 o  338.899   54.826   3.5291   0.9242   3.0027   1.5544   3.8169   1.1494  307.702   91.514  370.097   60.404 -62.39526 109.6513 
1 1 1   26   36   10 o  372.017   43.908   4.0419   0.7888   4.5671   1.0380   3.3239   1.2135  409.843   49.261  334.191   72.697 75.65158 87.81504 
1 1 1   26   36   12 o  130.108   32.831   0.3450   0.2870   0.6441   0.4404   0.1242   0.3785  154.277   49.222  105.940   43.459 48.33729 65.66177 
1 1 1   26   36   14 o  200.061   38.090   1.1277   0.4306   0.5628   0.6073   1.6992   0.6108  154.715   57.385  245.408   50.104 -90.69211 76.18047 
1 1 1   26   36   16 o  218.218   41.804   1.3749   0.4666   1.3563   0.5792   1.4092   0.7875  217.648   52.395  218.787   65.153 -1.139008 83.60732 
1 1 1   26   36   18 o  235.106   41.097   1.5803   0.4969   1.2216   0.6623   2.0425   0.7517  204.678   59.428  265.534   56.782 -60.85695 82.19381 
1 1 1   26   36   20 o  128.476   32.909   0.3024   0.3001   0.6853   0.4517   0.0000   0.4014  157.230   49.820   99.722   43.011 57.50830 65.81737 
1 1 1   26   36   22 o  472.385   36.875   6.2552   0.8936   5.7282   1.2451   6.8150   1.2831  450.659   53.739  494.112   50.509 -43.45303 73.75023 
1 1 1   26   36   24 o  326.920   56.336   3.8178   0.8943   4.1806   1.0209   2.6210   1.8544  384.958   51.583  268.882  100.171 116.0765 112.6723 
1 1 1   26   36   26 o  293.112   54.848   2.8573   0.7734   2.9187   0.8712   2.6288   1.6803  319.361   53.061  266.863   96.009 52.49780 109.6956 
1 1 1   26   36   28 o  173.370   44.830   0.6728   0.4225   0.5303   0.4663   1.3276   0.9993  141.646   50.615  205.095   74.008 -63.44846 89.66097 
1 1 1   26   37    1 o  160.635   37.499   0.6790   0.3689   0.4590   0.5314   0.8836   0.5124  143.520   53.594  177.751   52.464 -34.23112 74.99819 
1 1 1   26   37    3 o  246.091   44.514   1.7650   0.5657   1.8248   0.7892   1.7019   0.8112  250.788   61.643  241.393   64.237 9.394531 89.02895 
1 1 1   26   37    5 o  159.002   36.149   0.6355   0.3629   1.0357   0.5128   0.2339   0.5136  191.401   51.136  126.604   51.108 64.79702 72.29737 
1 1 1   26   37    7 o  414.500   40.003   4.7270   0.8413   4.9917   1.3119   4.5423   1.0963  422.136   60.450  406.864   52.410 15.27179 80.00640 
1 1 1   26   37    9 o  450.547   33.637   5.5259   0.7666   5.5752   1.0031   5.4568   1.1887  455.260   42.854  445.833   51.858 9.427307 67.27385 
1 1 1   26   37   11 o  151.860   35.367   0.5938   0.3280   0.8238   0.4766   0.3868   0.4522  171.415   50.596  132.305   49.429 39.10995 70.73299 
1 1 1   26   37   13 o  165.462   39.725   0.6931   0.3741   0.8584   0.7011   0.6273   0.4423  178.619   62.218  152.305   49.408 26.31416 79.44984 
1 1 1   26   37   15 o  204.723   40.132   1.1724   0.4409   1.5841   0.6769   0.8691   0.5810  233.336   56.932  176.111   56.577 57.22525 80.26338 
1 1 1   26   37   17 o  245.762   44.762   1.8215   0.5592   1.8998   0.7030   1.6866   0.9228  256.252   55.005  235.272   70.633 20.97981 89.52411 
1 1 1   26   37   19 o  296.987   40.938   2.5349   0.5896   2.4947   0.7383   2.6056   0.9799  300.565   47.775  293.410   66.493 7.154541 81.87684 
1 1 1   26   37   21 o  151.901   38.329   0.6010   0.3775   0.5505   0.5692   0.6407   0.5043  149.786   55.556  154.017   52.821 -4.231201 76.65845 
1 1 1   26   37   23 o  220.422   37.677   1.3956   0.4794   2.3078   0.6871   0.5303   0.6692  288.093   46.392  152.751   59.380 135.3420 75.35333 
1 1 1   26   37   25 o  157.485   44.017   0.5853   0.5061   0.7524   0.5738   0.0000   1.0741  163.421   56.325  151.548   67.657 11.87263 88.03423 
1 1 1   26   37   27 o  170.550   44.107   0.8545   0.4962   1.0434   0.5483   0.0000   1.1663  186.281   54.071  154.819   69.700 31.46272 88.21400 
1 1 1   26   38    0 o  170.155   58.540   0.6860   0.5392   2.2189   1.2113   0.3073   0.6021  237.113   99.167  103.198   62.239 0.000000 0.000000 
1 1 1   26   38    2 f  250.410   40.540   1.8091   0.5111   1.6874   0.7292   1.9265   0.7165  241.210   59.231  259.611   55.369 -18.40123 81.08081 
1 1 1   26   38    4 o  244.043   38.587   1.7195   0.4730   1.9507   0.6521   1.4628   0.6871  263.478   49.970  224.609   58.811 38.86969 77.17345 
1 1 1   26   38    6 o  328.962   36.233   2.9711   0.6124   2.8988   0.8485   3.0497   0.8849  324.976   50.786  332.949   51.693 -7.972443 72.46661 
1 1 1   26   38    8 o  385.784   35.000   4.1779   0.6709   4.6290   0.8797   3.5510   1.0371  414.950   41.237  356.617   56.564 58.33377 69.99994 
1 1 1   26   38   10 o  418.775   34.644   4.8482   0.7352   5.1058   0.9805   4.5173   1.1113  434.162   43.925  403.388   53.587 30.77356 69.28851 
1 1 1   26   38   12 o  200.071   48.959   0.8694   0.5338   0.5979   0.6040   1.8378   1.1408  156.242   57.357  243.900   79.360 -87.65810 97.91708 
1 1 1   26   38   14 o  310.276   40.592   2.7710   0.6131   2.6985   0.9891   2.8163   0.7812  300.319   65.873  320.233   47.451 -19.91385 81.18433 
1 1 1   26   38   16 f  175.573   40.433   0.8086   0.4199   1.2024   0.6669   0.5499   0.5405  202.157   59.901  148.990   54.326 53.16669 80.86691 
1 1 1   26   38   18 o  296.057   44.793   2.6531   0.6644   2.2984   1.0285   2.9070   0.8704  270.670   72.469  321.443   52.667 -50.77338 89.58551 
1 1 1   26   38   20 o  209.363   44.811   1.3279   0.5241   1.3810   0.7262   1.2701   0.7571  213.614   62.290  205.111   64.435 8.502289 89.62103 
1 1 1   26   38   22 o  219.275   42.992   1.4183   0.5178   0.9345   0.6948   2.0226   0.7766  179.766   61.978  258.784   59.598 -79.01854 85.98396 
1 1 1   26   38   24 o  200.366   49.000   1.1971   0.6091   1.5543   0.9540   0.9512   0.7915  219.432   72.629  181.300   65.797 38.13139 98.00084 
1 1 1   26   39    1 f  357.636   38.215   3.5876   0.6820   3.0954   0.9510   4.1088   0.9787  328.192   58.509  387.081   49.177 -58.88931 76.43090 
1 1 1   26   39    3 o  262.852   40.696   1.9983   0.5348   1.8649   0.7457   2.1397   0.7674  253.201   58.465  272.503   56.626 -19.30200 81.39230 
1 1 1   26   39    5 o  146.121   34.947   0.5580   0.3116   0.5111   0.4249   0.6126   0.4583  140.890   48.475  151.351   50.352 -10.46106 69.89355 
1 1 1   26   39    7 o  476.887   36.036   6.2836   0.8831   6.0420   1.2426   6.5302   1.2553  467.112   51.742  486.661   50.171 -19.54980 72.07218 
1 1 1   26   39    9 o  259.454   40.228   1.9585   0.5233   2.2765   0.7464   1.6511   0.7339  282.232   53.398  236.675   60.181 45.55728 80.45594 
1 1 1   26   39   11 o  285.379   56.403   2.5737   0.7779   2.5923   0.8801   2.5073   1.6633  297.743   59.575  273.016   95.792 24.72739 112.8063 
1 1 1   26   39   13 o  190.271   38.475   1.0173   0.3932   1.2842   0.6130   0.8307   0.5125  209.443   55.889  171.100   52.894 38.34331 76.95072 
1 1 1   26   39   15 o  136.555   33.944   0.4757   0.3020   0.2873   0.4745   0.6041   0.3916  125.389   49.621  147.721   46.331 -22.33172 67.88830 
1 1 1   26   39   17 o  382.626   40.072   4.3577   0.7348   5.2119   0.9919   3.3185   1.0940  435.224   44.328  330.029   66.770 105.1948 80.14445 
1 1 1   26   39   19 o  180.642   41.855   0.9596   0.4496   0.8077   0.7126   1.0600   0.5796  171.956   62.425  189.329   55.772 -17.37369 83.71055 
1 1 1   26   39   21 o  200.353   46.259   1.2470   0.5321   1.0000   1.0137   1.3410   0.6252  189.692   73.263  211.014   56.500 -21.32198 92.51863 
1 1 1   26   39   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   40    0 o  569.135   57.281   9.0624   1.4826   8.1913   1.7852   10.999   2.6615  535.795   67.753  602.474   92.380 -0.000000 0.000000 
1 1 1   26   40    2 o  579.201   40.790   9.7260   1.1630   8.3447   1.8363   10.651   1.5027  535.002   66.760  623.399   46.886 -88.39807 81.57926 
1 1 1   26   40    4 o  200.101   37.419   1.1405   0.4115   1.6507   0.5920   0.6635   0.5724  240.906   49.454  159.295   56.171 81.61084 74.83856 
1 1 1   26   40    6 o  130.126   34.385   0.3782   0.3082   0.4234   0.4597   0.3412   0.4155  134.936   49.950  125.316   47.269 9.620125 68.77093 
1 1 1   26   40    8 o  218.622   38.315   1.3669   0.4594   2.1409   0.6692   0.6771   0.6318  274.962   49.140  162.283   58.801 112.6789 76.63087 
1 1 1   26   40   10 o  230.492   52.344   1.2677   0.5942   0.9502   0.6631   2.5619   1.3387  182.567   60.560  278.417   85.394 -95.84967 104.6880 
1 1 1   26   40   12 o  323.796   39.714   2.9271   0.6236   1.7601   0.8158   4.5680   0.9673  240.633   64.587  406.960   46.232 -166.3279 79.42856 
1 1 1   26   40   14 o  386.480   34.380   4.1712   0.6734   5.0385   0.9694   3.3621   0.9362  428.111   44.041  344.850   52.804 83.26022 68.75957 
1 1 1   26   40   16 o  187.259   36.059   1.0035   0.3731   1.4368   0.5417   0.6125   0.5146  223.036   48.611  151.482   53.274 71.55431 72.11846 
1 1 1   26   40   18 o  352.854   38.674   3.5382   0.6764   2.8523   0.8928   4.4623   1.0363  309.235   58.294  396.474   50.837 -87.23907 77.34717 
1 1 1   26   40   20 o  381.178   45.375   4.4941   0.8308   6.2940   1.1995   2.8340   1.1520  470.327   49.605  292.029   75.994 178.2979 90.75092 
1 1 1   26   41    1 o  144.653   36.176   0.5362   0.3360   0.5378   0.4742   0.5346   0.4762  144.736   51.116  144.570   51.206 0.1656494 72.35271 
1 1 1   26   41    3 o  230.570   39.115   1.5470   0.4664   2.0416   0.6784   1.1037   0.6423  266.963   51.289  194.177   59.071 72.78616 78.23000 
1 1 1   26   41    5 o  387.750   38.756   4.3102   0.7361   5.3457   1.0538   3.3234   1.0286  440.370   46.543  335.130   61.984 105.2396 77.51268 
1 1 1   26   41    7 o  339.678   57.384   3.9261   0.8982   4.1334   1.0190   3.2041   1.9019  383.909   51.628  295.447  102.501 88.46204 114.7685 
1 1 1   26   41    9 o  236.739   44.941   1.1393   0.5475   0.4751   0.6274   3.2604   1.1212  147.797   57.482  325.681   69.099 -177.8837 89.88219 
1 1 1   26   41   11 f  591.260   35.121   9.8693   1.0536   10.433   1.4132   9.1634   1.5810  615.078   44.691  567.442   54.192 47.63568 70.24229 
1 1 1   26   41   13 o  258.291   40.419   1.9410   0.5232   1.4971   0.6932   2.5284   0.7974  222.678   59.441  293.904   54.785 -71.22580 80.83723 
1 1 1   26   41   15 o  314.711   45.588   3.2829   0.7140   1.8981   1.1157   4.2433   0.9292  239.627   78.506  389.795   46.365 -150.1679 91.17574 
1 1 1   26   41   17 o  282.611   36.729   2.3332   0.5179   1.9684   0.7369   2.6893   0.7280  255.309   57.520  309.913   45.689 -54.60435 73.45801 
1 1 1   26   41   19 o  227.909   45.755   1.5917   0.5503   1.9657   0.8912   1.3614   0.6995  246.684   68.054  209.135   61.177 37.54924 91.50905 
1 1 1   26   42    0 o  689.360   60.774   14.261   1.8526   14.434   2.2431   13.891   3.2860  718.465   61.776  660.255  104.679 -0.000000 0.000000 
1 1 1   26   42    2 o  128.984   32.804   0.3969   0.2855   0.5540   0.3933   0.2220   0.4150  142.527   46.609  115.440   46.173 27.08775 65.60728 
1 1 1   26   42    4 o  408.129   37.131   4.6977   0.7760   5.2734   1.1238   4.1729   1.0729  433.417   50.433  382.842   54.511 50.57565 74.26233 
1 1 1   26   42    6 f  212.104   49.002   1.3528   0.5657   1.3698   0.6454   1.2965   1.1750  214.256   57.424  209.952   79.419 4.303604 98.00397 
1 1 1   26   42    8 o  406.489   37.606   4.7021   0.7859   4.7354   1.1142   4.6690   1.1087  407.969   53.121  405.008   53.243 2.960297 75.21107 
1 1 1   26   42   10 o  165.476   35.864   0.7509   0.3682   1.2036   0.5149   0.2771   0.5267  203.084   49.712  127.868   51.707 75.21665 71.72829 
1 1 1   26   42   12 o  288.858   44.700   2.6779   0.6680   1.6445   1.0026   3.5029   0.8958  225.760   74.443  351.955   49.506 -126.1946 89.40099 
1 1 1   26   42   14 o  184.980   38.886   1.0201   0.3984   1.1249   0.5650   0.9166   0.5617  193.825   54.451  176.136   55.528 17.68901 77.77107 
1 1 1   26   42   16 o  237.548   39.379   1.7022   0.4749   2.0065   0.6870   1.4239   0.6571  259.693   53.244  215.404   58.034 44.28886 78.75844 
1 1 1   26   43    1 o  247.393   41.674   1.8707   0.5294   1.4442   0.7657   2.2613   0.7328  216.568   64.187  278.219   53.169 -61.65038 83.34808 
1 1 1   26   43    3 o  244.295   42.015   1.8057   0.5239   1.9884   0.7453   1.6273   0.7366  257.709   57.686  230.880   61.101 26.82950 84.02961 
1 1 1   26   43    5 o  212.705   50.149   1.3835   0.5856   1.4032   0.6605   1.3111   1.2663  215.485   58.235  209.926   81.660 5.559448 100.2984 
1 1 1   26   43    7 o  337.646   38.386   3.2812   0.6659   3.4372   0.9579   3.1354   0.9265  345.658   53.900  329.633   54.668 16.02539 76.77106 
1 1 1   26   43    9 o  180.092   38.855   0.9675   0.4085   0.6370   0.6076   1.2401   0.5518  155.803   57.476  204.380   52.302 -48.57613 77.71082 
1 1 1   26   43   11 o  206.355   39.651   1.2983   0.4327   1.3979   0.5810   1.1743   0.6482  216.522   52.694  196.187   59.264 20.33517 79.30280 
1 1 1   26   43   13 o  179.046   38.763   0.9627   0.3918   1.0428   0.5370   0.8715   0.5729  186.406   53.338  171.686   56.260 14.71973 77.52503 
1 1 1   26   44    0 o  254.214   60.018   1.8122   0.7435   4.4110   1.4533   0.8910   0.8653  364.079   89.671  144.350   79.797 0.000000 0.000000 
1 1 1   26   44    2 o  186.191   45.710   1.0941   0.5430   1.3282   0.5982   0.0000   1.2933  210.178   54.799  162.204   73.177 47.97343 91.42065 
1 1 1   26   44    4 o  266.063   51.413   2.5803   0.7540   2.9323   0.8523   1.3136   1.6168  319.422   51.898  212.704   88.769 106.7177 102.8269 
1 1 1   26   44    6 o  234.836   40.581   1.7090   0.4958   1.2586   0.7200   2.1153   0.6838  201.443   62.764  268.230   51.459 -66.78661 81.16256 
1 1 1   26   44    8 o  184.735   40.335   1.0389   0.4248   0.8917   0.6390   1.1555   0.5688  173.900   59.456  195.570   54.522 -21.66946 80.67006 
1 1 1   27    0    1 o  1011.24   52.659   27.080   2.6894   29.692   3.7794   24.401   3.8279  1063.16   69.835  959.327   78.836 -0.000000 0.000000 
1 1 1   27    0    3 o  224.133   65.272   1.8316   0.7456   1.7730   1.0764   1.8857   1.0339  218.858   93.659  229.408   90.938 0.000000 0.000000 
1 1 1   27    0    5 o  142.660   73.518   0.7729   0.6902   0.0000   0.0000   0.7729   0.6902  142.660   73.518  142.660   73.518 0.000000 0.000000 
1 1 1   27    0    7 f  482.935   68.335   6.3975   1.5987   0.0000   0.0000   6.3975   1.5987  482.935   68.335  482.935   68.335 0.000000 0.000000 
1 1 1   27    0    9 o  1270.43   49.768   43.537   3.0879   37.503   4.9296   47.434   3.9613  1191.01   81.378  1349.85   57.315 0.000000 0.000000 
1 1 1   27    0   11 o  533.644   56.519   8.0953   1.3384   8.6028   1.6810   7.2166   2.2120  567.175   59.117  500.114   96.347 -0.000000 0.000000 
1 1 1   27    0   13 o  395.862   70.008   4.4300   1.2919   0.0000   0.0000   4.4300   1.2919  395.862   70.008  395.862   70.008 0.000000 0.000000 
1 1 1   27    0   15 o   98.145   63.320   0.0000   0.7423   0.0000   0.7423   0.0000   0.0000   98.145   63.320   98.145   63.320 0.000000 0.000000 
1 1 1   27    0   17 o   83.850   51.574   0.1441   0.4314   0.0000   0.0000   0.1441   0.4314   83.850   51.574   83.850   51.574 0.000000 0.000000 
1 1 1   27    0   19 f  393.895   58.946   4.7025   1.0073   3.9709   1.5721   5.2120   1.3119  352.996  100.008  434.793   62.423 0.000000 0.000000 
1 1 1   27    0   21 o  250.307   89.317   2.1693   1.0488   0.0000   0.0000   2.1693   1.0488  250.307   89.317  250.307   89.317 -0.000000 0.000000 
1 1 1   27    0   23 o  641.771   46.086   11.013   1.4741   10.350   1.9500   11.896   2.2518  619.947   62.648  663.594   67.610 -0.000000 0.000000 
1 1 1   27    0   25 o  122.073   46.091   0.5567   0.4167   0.7308   0.5121   0.2151   0.7171  138.150   64.582  105.996   65.778 -0.000000 0.000000 
1 1 1   27    0   27 o  193.554   53.311   1.1875   0.5623   2.2018   0.9209   0.5847   0.7099  259.661   79.005  127.447   71.598 0.000000 0.000000 
1 1 1   27    0   29 o  143.508   51.844   0.7989   0.5133   1.0372   0.6647   0.4471   0.8078  164.723   73.712  122.294   72.922 -0.000000 0.000000 
1 1 1   27    0   31 o  510.222   66.777   7.2371   1.6686   0.0000   0.0000   7.2371   1.6686  510.222   66.777  510.222   66.777 0.000000 0.000000 
1 1 1   27    0   33 o  217.907   60.351   1.7639   0.6677   1.4228   0.9642   2.0782   0.9255  189.138   88.595  246.676   81.975 0.000000 0.000000 
1 1 1   27    0   35 o  143.351   44.737   0.7922   0.4440   0.0000   0.7550   1.2111   0.5490   97.495   63.254  189.207   63.282 0.000000 0.000000 
1 1 1   27    0   37 o  161.049   76.974   1.0330   0.7316   1.0330   0.7316   0.0000   0.0000  161.049   76.974  161.049   76.974 0.000000 0.000000 
1 1 1   27    0   39 o  202.831   88.587   1.6226   0.9608   1.6226   0.9608   0.0000   0.0000  202.831   88.587  202.831   88.587 0.000000 0.000000 
1 1 1   27    0   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   43 o   70.742   45.857   0.0000   0.3956   0.0000   0.3956   0.0000   0.0000   70.742   45.857   70.742   45.857 -0.000000 0.000000 
1 1 1   27    0   45 o  200.096   54.516   1.5277   0.5915   2.1375   0.8410   0.9310   0.8320  251.959   74.645  148.233   79.475 -0.000000 0.000000 
1 1 1   27    0   47 o  165.728   52.880   1.1326   0.4935   0.9710   0.7255   1.2718   0.6731  150.611   75.871  180.845   73.681 0.000000 0.000000 
1 1 1   27    1    0 f  252.145   72.698   2.0052   0.8174   2.0052   0.8174   0.0000   0.0000  252.145   72.698  252.145   72.698 0.000000 0.000000 
1 1 1   27    1    2 o  1073.45   35.896   29.919   1.9800   31.109   2.8043   28.735   2.7959  1094.94   49.816  1051.96   51.696 42.98193 71.79253 
1 1 1   27    1    4 o  761.794   48.700   15.191   1.8995   17.070   2.7290   13.424   2.6455  808.114   65.683  715.474   71.919 92.63983 97.39970 
1 1 1   27    1    6 o  1034.82   45.606   28.054   2.4209   26.485   3.4687   29.543   3.3804  1005.85   67.075  1063.78   61.809 -57.92786 91.21104 
1 1 1   27    1    8 o  1270.95   42.832   42.273   2.7926   40.054   4.0079   44.366   3.8933  1237.66   62.986  1304.23   58.062 -66.56750 85.66484 
1 1 1   27    1   10 o  553.933   33.666   8.0044   0.9546   7.3254   1.3708   8.6438   1.3302  530.700   50.241  577.166   44.826 -46.46637 67.33157 
1 1 1   27    1   12 o  885.927   42.133   19.477   1.7306   23.045   3.3659   18.195   2.0177  935.216   70.004  836.639   46.908 98.57635 84.26700 
1 1 1   27    1   14 o  238.856   44.389   1.4389   0.5191   1.9069   0.9470   1.2378   0.6207  264.033   68.995  213.679   55.867 50.35405 88.77802 
1 1 1   27    1   16 o  477.230   47.010   5.9345   1.1534   5.9345   1.1534   0.0000   0.0000  477.230   47.010  ?   ?       ?      ? 
1 1 1   27    1   18 o  614.874   45.887   9.6771   1.4228   8.4165   1.8088   11.723   2.3041  564.733   62.298  665.016   67.391 -100.2833 91.77448 
1 1 1   27    1   20 o  524.244   32.221   7.1916   0.8661   7.7507   1.2213   6.6259   1.2286  545.135   43.576  503.354   47.474 41.78036 64.44120 
1 1 1   27    1   22 o  584.831   31.836   8.9853   0.9487   10.424   1.3495   7.5789   1.3340  632.091   41.525  537.572   48.268 94.51978 63.67256 
1 1 1   27    1   24 o  193.700   35.171   1.0106   0.3762   0.4950   0.5286   1.5397   0.5355  148.808   53.804  238.592   45.311 -89.78381 70.34141 
1 1 1   27    1   26 o  135.464   35.092   0.3898   0.3205   0.3072   0.4423   0.4811   0.4651  127.579   48.613  143.349   50.622 -15.77023 70.18408 
1 1 1   27    1   28 o  202.573   36.404   1.1319   0.3846   0.8868   0.5430   1.3788   0.5449  181.017   54.142  224.129   48.678 -43.11171 72.80731 
1 1 1   27    1   30 o  108.283   48.527  -0.2201   0.5582  -0.2201   0.5582   0.0000   0.0000  108.283   48.527  ?   ?       ?      ? 
1 1 1   27    1   32 o  540.109   40.892   8.2518   1.0488   6.8545   1.7719   9.0053   1.3012  497.246   69.311  582.972   43.412 -85.72534 81.78384 
1 1 1   27    1   34 o  731.112   31.258   14.240   1.1722   13.121   1.6542   15.369   1.6612  701.261   45.883  760.963   42.461 -59.70245 62.51569 
1 1 1   27    1   36 o  124.468   34.967   0.2640   0.3181   0.3582   0.3705   0.0000   0.6202  124.915   45.067  124.021   53.476 0.8935623 69.93409 
1 1 1   27    1   38 o  398.289   50.328   4.6040   0.9907   3.4189   1.3686   5.9088   1.4360  335.636   80.374  460.942   60.595 -125.3062 100.6568 
1 1 1   27    1   40 o  262.575   52.692   1.9537   0.6866   0.0000   0.0000   1.9537   0.6866  ?   ?   262.575   52.692      ?      ? 
1 1 1   27    1   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   44 o  121.383   34.161   0.1340   0.2793   0.0000   0.3174   0.5935   0.5879   88.992   38.316  153.775   56.567 -64.78277 68.32251 
1 1 1   27    1   46 o  242.940   51.628   1.7314   0.6250   1.7314   0.6250   0.0000   0.0000  242.940   51.628  ?   ?       ?      ? 
1 1 1   27    2    1 o  780.382   36.509   15.819   1.4640   15.224   2.0701   16.414   2.0707  765.543   52.596  795.220   50.648 -29.67706 73.01808 
1 1 1   27    2    3 o  1098.69   35.533   31.389   2.0028   29.233   2.8457   33.506   2.8194  1060.82   52.176  1136.56   48.249 -75.74219 71.06560 
1 1 1   27    2    5 o  1202.90   46.612   37.800   2.8796   38.743   4.1891   36.956   3.9648  1216.78   66.964  1189.03   64.857 27.75061 93.22346 
1 1 1   27    2    7 o  196.704   64.378   0.9752   0.7503   0.9752   0.7503   0.0000   0.0000  196.704   64.378  ?   ?       ?      ? 
1 1 1   27    2    9 o  326.375   35.271   2.7628   0.5909   2.9840   0.8568   2.5621   0.8162  338.858   49.178  313.891   50.574 24.96790 70.54221 
1 1 1   27    2   11 o  1131.48   43.867   33.137   2.2667   34.406   4.3870   32.675   2.6474  1141.32   74.763  1121.63   45.910 19.69934 87.73397 
1 1 1   27    2   13 o  507.035   47.913   6.8005   1.2083   6.6529   1.9621   6.8906   1.5335  500.973   76.179  513.098   58.133 -12.12512 95.82646 
1 1 1   27    2   15 o  1034.92   36.149   27.697   1.8747   26.828   2.3809   29.116   3.0412  1015.35   45.609  1054.49   56.097 -39.13696 72.29836 
1 1 1   27    2   17 o  520.152   32.874   7.0743   0.8752   7.8246   1.2364   6.3211   1.2389  548.271   43.864  492.033   48.976 56.23819 65.74768 
1 1 1   27    2   19 o  711.463   48.479   13.744   1.7082   14.735   2.1958   12.224   2.7186  748.282   57.075  674.643   78.378 73.63885 96.95758 
1 1 1   27    2   21 o  591.126   31.862   9.1363   0.9677   9.5032   1.3674   8.7683   1.3696  603.224   44.092  579.028   46.008 24.19604 63.72461 
1 1 1   27    2   23 o  656.626   31.437   11.275   1.0606   10.754   1.4745   11.832   1.5267  640.869   44.753  672.382   44.163 -31.51276 62.87437 
1 1 1   27    2   25 o  487.524   32.009   6.2403   0.8022   6.1391   1.1212   6.3465   1.1481  483.511   45.103  491.537   45.432 -8.025452 64.01833 
1 1 1   27    2   27 o  321.212   33.280   2.7301   0.5479   2.5142   0.7805   2.9399   0.7693  308.259   49.248  334.166   44.776 -25.90689 66.55984 
1 1 1   27    2   29 o  429.604   47.655   5.0594   1.0135   6.2979   1.4993   4.0172   1.3754  483.032   60.372  376.177   73.750 106.8547 95.30914 
1 1 1   27    2   31 f  214.027   43.558   1.2190   0.4778   1.1070   0.5757   1.4669   0.8565  199.643   54.541  228.410   67.930 -28.76729 87.11589 
1 1 1   27    2   33 o  317.469   52.720   2.9251   0.8408   2.8508   1.1202   3.0210   1.2726  314.268   71.004  320.670   77.948 -6.401978 105.4393 
1 1 1   27    2   35 o  588.479   38.209   8.7106   1.0939   7.4220   1.3143   11.617   1.9738  525.731   48.624  651.226   58.952 -125.4949 76.41760 
1 1 1   27    2   37 o  281.258   44.266   2.3594   0.6125   1.8254   1.0393   2.6435   0.7581  249.039   75.003  313.478   47.038 -64.43874 88.53281 
1 1 1   27    2   39 o  267.526   43.027   2.1499   0.5727   1.6329   0.9674   2.4289   0.7107  235.200   72.665  299.852   46.100 -64.65265 86.05493 
1 1 1   27    2   41 o  244.380   42.462   1.7642   0.5105   1.8199   0.6244   1.6518   0.8867  253.911   49.613  234.850   68.926 19.06190 84.92492 
1 1 1   27    2   43 o  122.740   45.458   0.3426   0.3808   0.0000   0.0000   0.3426   0.3808  ?   ?   122.740   45.458      ?      ? 
1 1 1   27    2   45 o  200.903   68.102   1.2156   0.8383   1.2156   0.8383   0.0000   0.0000  200.903   68.102  ?   ?       ?      ? 
1 1 1   27    2   47 f  166.292   50.366   0.8099   0.4677   0.8099   0.4677   0.0000   0.0000  166.292   50.366  ?   ?       ?      ? 
1 1 1   27    3    0 o  1011.12   73.530   26.962   3.7760   0.0000   0.0000   26.962   3.7760  1011.12   73.530  1011.12   73.530 -0.000000 0.000000 
1 1 1   27    3    2 o  836.848   44.570   18.737   1.8064   19.787   2.2476   16.823   3.0355  873.109   50.071  800.587   73.748 72.52203 89.14012 
1 1 1   27    3    4 o  348.141   52.174   3.2803   0.9026   3.5462   1.3383   3.0585   1.2225  361.125   74.552  335.158   73.011 25.96707 104.3481 
1 1 1   27    3    6 f  864.801   61.085   19.524   2.7160   0.0000   0.0000   19.524   2.7160  ?   ?   864.801   61.085      ?      ? 
1 1 1   27    3    8 o  750.832   58.102   14.708   2.2429   0.0000   0.0000   14.708   2.2429  ?   ?   750.832   58.102      ?      ? 
1 1 1   27    3   10 o  270.797   48.365   1.9294   0.6597   2.3620   1.0752   1.6682   0.8354  293.828   71.788  247.766   64.833 46.06171 96.73055 
1 1 1   27    3   12 o  600.965   37.468   9.4826   1.1293   9.7258   1.4571   9.1167   1.7872  611.697   46.332  590.232   58.897 21.46472 74.93652 
1 1 1   27    3   14 o  669.002   32.555   11.660   1.1172   10.743   1.5780   12.581   1.5817  642.293   47.788  695.711   44.222 -53.41772 65.10957 
1 1 1   27    3   16 o  224.150   39.050   1.3611   0.4547   0.9879   0.6330   1.7592   0.6537  193.237   58.609  255.062   51.621 -61.82440 78.10094 
1 1 1   27    3   18 o  260.220   37.403   1.8177   0.4918   1.2473   0.6804   2.4417   0.7117  214.414   59.581  306.026   45.232 -91.61287 74.80553 
1 1 1   27    3   20 o  349.761   53.624   3.3086   0.9048   3.0742   1.1231   3.7422   1.5275  334.373   67.655  365.149   83.216 -30.77643 107.2481 
1 1 1   27    3   22 o  982.169   31.169   25.227   1.5731   25.392   2.1949   25.052   2.2558  985.760   43.308  978.579   44.837 7.180847 62.33702 
1 1 1   27    3   24 o  285.974   35.070   2.1829   0.5051   2.0889   0.7048   2.2822   0.7242  277.332   51.321  294.615   47.811 -17.28381 70.14088 
1 1 1   27    3   26 o  359.437   36.075   3.5741   0.6116   2.2304   0.8595   4.9522   0.8705  283.694   60.761  435.180   38.906 -151.4851 72.14920 
1 1 1   27    3   28 o  268.797   50.635   2.0127   0.7099   2.3983   1.0822   1.7215   0.9405  290.237   72.682  247.357   70.519 42.88014 101.2701 
1 1 1   27    3   30 o  629.722   39.111   10.558   1.1772   10.397   1.4214   10.911   2.1007  627.063   44.090  632.381   64.613 -5.317444 78.22274 
1 1 1   27    3   32 o  350.315   40.522   2.9453   0.6701   2.1540   0.7972   4.8494   1.2367  277.396   57.775  423.235   56.835 -145.8388 81.04459 
1 1 1   27    3   34 o  589.424   39.509   9.5305   1.1257   9.1231   1.9244   9.7424   1.3879  574.043   65.204  604.806   44.634 -30.76263 79.01756 
1 1 1   27    3   36 o  659.228   39.350   11.931   1.2488   11.628   2.1612   12.083   1.5300  645.852   65.086  672.604   44.246 -26.75183 78.70094 
1 1 1   27    3   38 o  331.842   34.965   2.9804   0.5958   2.8704   0.8182   3.1046   0.8693  325.534   48.886  338.150   50.005 -12.61642 69.93073 
1 1 1   27    3   40 o  159.113   41.259   0.4696   0.4723   1.0678   0.7122   0.0000   0.6311  194.294   62.663  123.931   53.690 70.36350 82.51817 
1 1 1   27    3   42 o  154.543   38.177   0.5360   0.3447   0.3936   0.4058   0.9050   0.6531  129.180   47.076  179.905   60.115 -50.72481 76.35392 
1 1 1   27    3   44 o  215.528   47.220   1.3826   0.5976   0.9171   0.8290   1.8860   0.8621  183.251   67.210  247.805   66.347 -64.55431 94.44081 
1 1 1   27    3   46 o  225.837   71.033   1.6333   0.9197   0.0000   0.0000   1.6333   0.9197  ?   ?   225.837   71.033      ?      ? 
1 1 1   27    4    1 f  792.232   51.795   16.610   2.0894   14.312   2.9984   18.778   2.9131  737.170   79.114  847.294   66.874 -110.1235 103.5908 
1 1 1   27    4    3 o  222.727   45.019   1.3501   0.5200   1.1197   0.9526   1.4479   0.6207  213.970   72.598  231.483   53.259 -17.51280 90.03870 
1 1 1   27    4    5 o  727.499   61.860   13.820   2.3137   0.0000   0.0000   13.820   2.3137  ?   ?   727.499   61.860      ?      ? 
1 1 1   27    4    7 o  896.498   58.262   20.966   2.6854   0.0000   0.0000   20.966   2.6854  ?   ?   896.498   58.262      ?      ? 
1 1 1   27    4    9 o  697.146   43.192   12.858   1.5273   11.525   2.2760   13.950   2.0600  662.732   66.799  731.560   54.772 -68.82800 86.38334 
1 1 1   27    4   11 o  1094.26   36.984   31.331   2.0405   31.876   2.6528   30.540   3.1931  1107.51   46.589  1081.01   57.453 26.49426 73.96875 
1 1 1   27    4   13 o  200.588   38.104   1.0711   0.4050   1.3363   0.5951   0.8421   0.5528  221.930   52.900  179.245   54.856 42.68521 76.20779 
1 1 1   27    4   15 o  891.423   32.119   20.680   1.4707   19.548   2.0641   21.848   2.0962  866.413   46.338  916.433   44.489 -50.01941 64.23780 
1 1 1   27    4   17 o  748.118   32.370   14.654   1.2376   16.365   1.7426   12.911   1.7580  793.064   42.739  703.172   48.628 89.89172 64.74027 
1 1 1   27    4   19 o  273.245   37.129   2.0865   0.5018   2.8817   0.6977   1.2342   0.7222  332.759   40.780  213.731   62.059 119.0278 74.25865 
1 1 1   27    4   21 o  327.818   52.150   2.9725   0.8480   2.8740   1.1071   3.1124   1.3191  322.368   68.887  333.267   78.314 -10.89902 104.3000 
1 1 1   27    4   23 o  955.491   31.506   24.130   1.5310   27.549   2.1361   20.519   2.1953  1027.29   40.445  883.693   48.320 143.5950 63.01284 
1 1 1   27    4   25 o  775.206   31.464   15.890   1.2437   17.801   1.7351   13.871   1.7837  824.732   40.920  725.679   47.808 99.05304 62.92899 
1 1 1   27    4   27 o  328.678   69.683   3.0385   1.1410   3.0385   1.1410   0.0000   0.0000  328.678   69.683  ?   ?       ?      ? 
1 1 1   27    4   29 o  828.596   37.966   17.332   1.5093   15.672   1.7985   21.287   2.7754  769.800   45.441  887.391   60.834 -117.5912 75.93245 
1 1 1   27    4   31 o  759.556   39.948   16.287   1.4446   13.337   2.4190   17.922   1.8011  695.751   67.625  823.362   42.548 -127.6110 79.89655 
1 1 1   27    4   33 o  159.617   43.534   0.5018   0.4881   0.4855   0.6050   0.5323   0.8259  151.380   57.055  167.854   65.768 -16.47443 87.06706 
1 1 1   27    4   35 o  178.480   33.851   0.8904   0.3440   1.3179   0.4695   0.3945   0.5056  219.069   43.217  137.890   52.113 81.17856 67.70144 
1 1 1   27    4   37 o  170.360   36.145   0.7389   0.3516   0.4413   0.4597   1.1581   0.5457  138.003   50.135  202.717   52.080 -64.71468 72.29021 
1 1 1   27    4   39 o  145.804   37.682   0.4189   0.3438   0.7723   0.6368   0.2735   0.4084  171.387   59.320  120.222   46.484 51.16557 75.36330 
1 1 1   27    4   41 o  348.395   45.934   3.5045   0.7423   3.4576   0.8930   3.6095   1.3355  355.027   48.923  341.762   77.759 13.26523 91.86888 
1 1 1   27    4   43 o  115.626   33.775   0.1658   0.3195   0.2498   0.3921   0.0000   0.5511  115.894   45.340  115.357   50.073 0.5375366 67.55026 
1 1 1   27    4   45 o  168.628   41.500   0.7603   0.4299   0.6336   0.5419   0.9755   0.7061  154.049   54.615  183.208   62.501 -29.15906 83.00047 
1 1 1   27    4   47 o  216.379   46.112   1.4477   0.5778   0.9388   0.7910   2.0300   0.8461  179.540   65.679  253.218   64.742 -73.67825 92.22448 
1 1 1   27    5    0 o  825.975   52.125   17.840   2.1933   17.840   2.1933   0.0000   0.0000  825.975   52.125  825.975   52.125 0.000000 0.000000 
1 1 1   27    5    2 o  735.581   36.268   14.086   1.3684   13.142   1.9501   15.002   1.9207  710.930   53.355  760.233   49.140 -49.30273 72.53572 
1 1 1   27    5    4 f  517.118   44.324   7.0962   1.0762   6.7074   1.9432   7.2683   1.2925  504.971   74.848  529.265   47.500 -24.29340 88.64791 
1 1 1   27    5    6 o  345.605   47.057   3.0455   0.8096   4.8820   1.2731   1.7984   1.0491  432.732   57.222  258.478   74.721 174.2542 94.11431 
1 1 1   27    5    8 o  228.330   46.392   1.3529   0.5674   1.6880   0.8960   1.1286   0.7332  249.541   67.992  207.118   63.134 42.42261 92.78332 
1 1 1   27    5   10 o  1262.67   32.731   41.343   2.1227   43.154   3.0879   39.720   2.9227  1288.74   46.605  1236.59   45.971 52.15247 65.46274 
1 1 1   27    5   12 o  154.277   35.306   0.5960   0.3192   0.6784   0.4720   0.5265   0.4334  162.118   50.870  146.435   48.971 15.68280 70.61121 
1 1 1   27    5   14 o  663.991   32.795   11.485   1.1171   12.440   1.5889   10.552   1.5709  691.603   44.686  636.379   48.014 55.22430 65.59097 
1 1 1   27    5   16 o  158.357   38.200   0.5975   0.3707   0.5234   0.4914   0.6954   0.5646  149.395   52.086  167.319   55.894 -17.92380 76.40086 
1 1 1   27    5   18 o  778.379   32.077   15.838   1.2808   16.590   1.7829   15.036   1.8410  797.980   43.458  758.779   47.193 39.20105 64.15456 
1 1 1   27    5   20 o  552.651   33.417   8.1402   0.9284   9.8014   1.2907   6.3597   1.3363  613.380   40.928  491.922   52.836 121.4577 66.83404 
1 1 1   27    5   22 o  685.696   46.808   12.643   1.6171   13.002   2.1088   12.130   2.5195  700.435   58.559  670.957   73.039 29.47772 93.61550 
1 1 1   27    5   24 o  694.113   41.959   12.989   1.3254   13.187   1.5583   12.470   2.5202  709.634   42.711  678.591   72.235 31.04279 83.91734 
1 1 1   27    5   26 o  341.092   67.077   3.2414   1.1344   3.2414   1.1344   0.0000   0.0000  341.092   67.077  ?   ?       ?      ? 
1 1 1   27    5   28 o  462.027   43.750   6.1626   0.9252   4.7878   1.5411   6.9372   1.1568  411.059   75.712  512.994   43.861 -101.9358 87.49913 
1 1 1   27    5   30 o  530.357   42.080   8.1147   1.0427   6.1497   1.7552   9.1864   1.2962  470.934   72.494  589.781   42.749 -118.8470 84.15989 
1 1 1   27    5   32 o  254.427   35.691   1.7430   0.4564   1.2339   0.6138   2.3725   0.6825  209.944   55.882  298.910   44.414 -88.96552 71.38182 
1 1 1   27    5   34 o  256.500   44.713   1.8448   0.5678   2.0121   0.9523   1.7526   0.7073  263.575   69.340  249.426   56.471 14.14931 89.42599 
1 1 1   27    5   36 o  175.415   34.281   0.8028   0.3514   1.3574   0.5111   0.3055   0.4840  221.252   46.414  129.578   50.463 91.67398 68.56210 
1 1 1   27    5   38 o  595.740   47.101   10.057   1.4409   10.417   2.0199   9.6833   2.0561  608.248   64.593  583.231   68.569 25.01691 94.20177 
1 1 1   27    5   40 o  401.624   46.546   4.3828   0.9611   4.3828   0.9611   0.0000   0.0000  401.624   46.546  ?   ?       ?      ? 
1 1 1   27    5   42 o  369.924   39.665   3.6228   0.7199   3.1203   0.8744   4.6803   1.2685  335.498   50.693  404.351   61.020 -68.85291 79.32992 
1 1 1   27    5   44 o  255.511   41.660   1.8660   0.6502   0.3110   0.9003   3.5614   0.9401  155.173   65.588  355.849   51.386 -200.6763 83.32069 
1 1 1   27    5   46 o  257.454   44.172   1.8758   0.5529   1.4968   0.6693   2.6900   0.9810  221.948   58.006  292.960   66.633 -71.01149 88.34418 
1 1 1   27    6    1 o  454.919   37.185   5.3797   0.8691   5.6499   1.2391   5.1180   1.2194  466.250   51.693  443.589   53.468 22.66122 74.37081 
1 1 1   27    6    3 o  420.978   36.212   4.5944   0.7798   5.2649   1.1328   3.9905   1.0752  450.299   48.930  391.657   53.395 58.64200 72.42314 
1 1 1   27    6    5 o  505.478   47.790   6.8630   1.2022   5.9082   1.8717   7.5336   1.5685  473.356   76.909  537.599   56.749 -64.24246 95.57934 
1 1 1   27    6    7 o  652.044   43.333   10.886   1.4371   12.876   2.2373   9.4885   1.8750  701.577   62.026  602.511   60.529 99.06622 86.66614 
1 1 1   27    6    9 o  393.623   43.259   4.2387   0.7887   3.7730   1.3595   4.4749   0.9683  372.105   73.668  415.141   45.368 -43.03653 86.51734 
1 1 1   27    6   11 o  130.920   33.570   0.3694   0.2924   0.2508   0.4582   0.4508   0.3797  125.670   49.056  136.169   45.838 -10.49874 67.13923 
1 1 1   27    6   13 o  526.803   33.178   7.2153   0.8979   7.6349   1.2933   6.8249   1.2475  541.635   46.444  511.971   47.394 29.66367 66.35697 
1 1 1   27    6   15 o  374.573   33.934   3.6578   0.6528   3.8968   0.9325   3.4282   0.9141  386.685   46.904  362.461   49.052 24.22504 67.86823 
1 1 1   27    6   17 o  340.539   35.512   3.0389   0.6205   3.1705   0.8639   2.8987   0.8918  348.396   48.229  332.683   52.138 15.71338 71.02393 
1 1 1   27    6   19 o  601.592   43.381   9.1853   1.1810   8.7765   1.3635   10.413   2.3632  579.649   45.754  623.535   73.716 -43.88611 86.76134 
1 1 1   27    6   21 o  685.633   43.261   12.293   1.3258   12.107   1.5312   12.852   2.6503  680.651   43.756  690.616   74.642 -9.964722 86.52211 
1 1 1   27    6   23 o  891.742   45.547   20.818   2.0650   18.146   2.6904   24.650   3.2216  824.073   63.501  959.410   65.312 -135.3366 91.09373 
1 1 1   27    6   25 o  229.890   63.164   1.4644   0.7695   0.0000   0.0000   1.4644   0.7695  ?   ?   229.890   63.164      ?      ? 
1 1 1   27    6   27 o  321.907   42.480   2.7842   0.6633   3.2564   1.0776   2.4960   0.8417  342.571   63.522  301.242   56.420 41.32822 84.96045 
1 1 1   27    6   29 f  284.082   35.185   2.1857   0.5011   2.3513   0.7021   2.0137   0.7155  297.996   45.826  270.168   53.404 27.82761 70.37056 
1 1 1   27    6   31 f  344.974   32.881   3.1603   0.5802   2.7515   0.8032   3.6064   0.8390  321.134   48.648  368.814   44.248 -47.68030 65.76131 
1 1 1   27    6   33 o  650.583   39.922   11.266   1.2229   10.930   1.4548   12.076   2.2579  641.129   44.136  660.038   66.537 -18.90869 79.84433 
1 1 1   27    6   35 o  559.920   48.134   8.6865   1.3780   7.8085   1.8376   9.8145   2.0828  528.222   67.664  591.618   68.477 -63.39624 96.26776 
1 1 1   27    6   37 o  301.657   52.577   2.7727   0.8238   3.3411   1.1103   2.0765   1.2288  340.445   65.816  262.868   82.009 77.57709 105.1532 
1 1 1   27    6   39 o  184.597   53.110   0.9627   0.5311   0.9627   0.5311   0.0000   0.0000  184.597   53.110  ?   ?       ?      ? 
1 1 1   27    6   41 f  169.229   37.140   0.7829   0.4385   1.3320   0.5373  -0.3126   0.7590  216.345   49.393  122.113   55.477 94.23179 74.27947 
1 1 1   27    6   43 o  192.037   40.512   1.0845   0.4148   1.1337   0.4964   0.9706   0.7551  198.551   48.938  185.523   64.575 13.02800 81.02374 
1 1 1   27    6   45 o  247.542   49.655   1.9373   0.6851   2.5610   0.9799   1.3409   0.9582  286.470   67.619  208.613   72.734 77.85683 99.31036 
1 1 1   27    7    0 o  320.579   99.320   3.3439   1.4333   0.0000   0.0000   3.3439   1.4333  320.579   99.320  320.579   99.320 -0.000000 0.000000 
1 1 1   27    7    2 o  899.438   44.256   20.405   1.9339   19.006   2.3413   23.410   3.4309  854.665   53.283  944.212   70.676 -89.54688 88.51100 
1 1 1   27    7    4 o  461.915   55.149   5.7077   1.2819   5.4141   1.7978   6.0115   1.8285  446.050   81.392  477.781   74.439 -31.73077 110.2985 
1 1 1   27    7    6 o  1063.05   68.966   29.686   3.7693   29.686   3.7693   0.0000   0.0000  1063.05   68.966  ?   ?       ?      ? 
1 1 1   27    7    8 o  380.969   74.137   3.9529   1.3998   3.9529   1.3998   0.0000   0.0000  380.969   74.137  ?   ?       ?      ? 
1 1 1   27    7   10 o  543.481   38.057   7.0575   1.0157   10.247   1.7852   5.5308   1.2350  626.371   55.436  460.591   52.155 165.7798 76.11361 
1 1 1   27    7   12 o  375.004   34.908   3.7313   0.6600   3.0266   0.9605   4.3617   0.9084  340.240   54.908  409.768   43.119 -69.52802 69.81523 
1 1 1   27    7   14 o  247.188   38.982   1.6497   0.4837   1.9566   0.7086   1.3819   0.6619  269.064   53.111  225.313   57.076 43.75134 77.96441 
1 1 1   27    7   16 o  247.847   48.235   1.8385   0.6314   2.1711   0.7101   0.5822   1.3800  288.394   47.891  207.301   83.744 81.09253 96.47073 
1 1 1   27    7   18 o  670.908   40.225   10.268   1.2410   8.5809   1.4215   15.672   2.5446  572.799   48.271  769.017   64.360 -196.2172 80.45052 
1 1 1   27    7   20 o  565.493   48.022   8.2632   1.3679   7.2401   1.7347   9.9450   2.2242  521.679   64.679  609.307   71.000 -87.62830 96.04385 
1 1 1   27    7   22 o  519.391   50.981   7.4080   1.3140   7.8962   1.6919   6.6658   2.0858  544.975   60.384  493.806   82.158 51.16928 101.9614 
1 1 1   27    7   24 o  761.883   60.119   15.495   2.3549   0.0000   0.0000   15.495   2.3549  ?   ?   761.883   60.119      ?      ? 
1 1 1   27    7   26 f  168.384   40.589   0.7086   0.4083   0.6472   0.7052   0.7396   0.5008  169.536   62.017  167.233   52.383 2.302979 81.17873 
1 1 1   27    7   28 o  431.033   32.548   4.8631   0.7151   4.0582   0.9636   5.8497   1.0669  391.240   47.907  470.827   44.073 -79.58725 65.09624 
1 1 1   27    7   30 o  191.409   35.450   1.0008   0.3799   1.5268   0.5369   0.4734   0.5376  236.204   45.863  146.615   54.069 89.58821 70.90037 
1 1 1   27    7   32 o  304.145   43.848   2.2398   0.6171   1.6645   0.7240   3.7677   1.1800  242.873   58.648  365.418   65.200 -122.5447 87.69635 
1 1 1   27    7   34 o  226.292   45.593   1.4308   0.5168   1.4197   0.6048   1.4609   0.9945  224.932   53.144  227.653   74.099 -2.721161 91.18674 
1 1 1   27    7   36 o  311.507   45.282   2.5876   0.6452   2.3146   0.7584   3.3028   1.2276  287.910   53.192  335.103   73.296 -47.19229 90.56309 
1 1 1   27    7   38 o  355.340   46.477   3.4101   0.8491   3.4101   0.8491   0.0000   0.0000  355.340   46.477  ?   ?       ?      ? 
1 1 1   27    7   40 f  200.955   41.957   1.1228   0.4360   1.0609   0.5204   1.2685   0.7988  192.913   51.502  208.998   66.250 -16.08537 83.91415 
1 1 1   27    7   42 o  185.446   42.933   0.8913   0.4440   0.7140   0.5321   1.2975   0.8054  161.727   54.262  209.165   66.547 -47.43872 85.86551 
1 1 1   27    7   44 o  205.993   40.977   0.9449   0.3831   0.6940   0.4257   2.0121   0.8780  156.684   48.172  255.303   66.303 -98.61856 81.95470 
1 1 1   27    7   46 f  198.604   38.939   1.2087   0.3852   1.2644   0.4446   1.0411   0.7711  210.552   42.537  186.656   65.236 23.89511 77.87878 
1 1 1   27    8    1 o  1122.93   46.421   34.451   2.4375   29.398   4.2989   36.846   2.9592  1054.79   79.273  1191.07   48.325 -136.2775 92.84145 
1 1 1   27    8    3 o  329.825   49.080   3.3001   0.7476   1.9893   1.3864   3.8375   0.8878  275.022   87.292  384.628   44.894 -109.6065 98.16010 
1 1 1   27    8    5 o  221.404   43.946   1.0830   0.4681   1.9266   0.9573   0.8179   0.5367  265.921   69.316  176.887   54.038 89.03410 87.89111 
1 1 1   27    8    7 o  877.273   68.895   20.244   3.1074   20.244   3.1074   0.0000   0.0000  877.273   68.895  ?   ?       ?      ? 
1 1 1   27    8    9 o  795.678   51.682   16.979   2.0657   18.180   2.7139   15.325   3.1852  832.294   63.422  759.062   81.619 73.23138 103.3636 
1 1 1   27    8   11 o  705.914   49.748   12.838   1.7820   11.103   2.3073   15.404   2.8055  648.565   69.197  763.264   71.492 -114.6993 99.49547 
1 1 1   27    8   13 o  300.073   47.235   2.2519   0.6510   1.9704   0.7611   3.0185   1.2561  269.381   56.748  330.765   75.525 -61.38348 94.46926 
1 1 1   27    8   15 o  233.999   46.891   1.5248   0.5608   1.6451   0.6576   1.2040   1.0739  246.070   53.503  221.929   77.022 24.14066 93.78140 
1 1 1   27    8   17 o  512.590   55.531   7.2942   1.3443   7.6584   1.6796   6.6449   2.2424  538.669   60.649  486.511   93.041 52.15790 111.0626 
1 1 1   27    8   19 o  502.920   38.410   6.2575   0.9628   8.6478   1.6100   4.9267   1.2013  573.131   54.637  432.710   54.000 140.4217 76.81941 
1 1 1   27    8   21 o  1087.61   37.384   31.062   2.0209   31.640   3.3215   30.722   2.5464  1092.23   59.149  1082.98   45.734 9.251343 74.76788 
1 1 1   27    8   23 o  469.604   62.245   5.8935   1.5028   5.8935   1.5028   0.0000   0.0000  469.604   62.245  ?   ?       ?      ? 
1 1 1   27    8   25 o  335.957   32.671   2.9729   0.5640   2.9687   0.7849   2.9774   0.8110  335.843   45.457  336.071   46.938 -0.2282104 65.34106 
1 1 1   27    8   27 o  205.549   37.429   1.1682   0.3982   1.1167   0.5677   1.2182   0.5587  201.126   53.833  209.973   52.018 -8.846008 74.85876 
1 1 1   27    8   29 o  435.120   45.100   5.1493   0.8569   5.0763   0.9958   5.3577   1.6825  438.098   44.209  432.142   78.623 5.956116 90.20013 
1 1 1   27    8   31 o  402.048   49.893   5.0201   0.8668   5.6248   1.0303   3.5553   1.6036  460.650   43.504  343.446   89.802 117.2035 99.78510 
1 1 1   27    8   33 o  155.275   40.758   0.5505   0.4140   0.6437   0.4853   0.3014   0.7935  157.019   51.795  153.531   62.946 3.488297 81.51685 
1 1 1   27    8   35 o  375.065   53.020   3.8299   0.9909   2.6528   1.2557   5.7720   1.6130  297.348   80.270  452.782   69.290 -155.4338 106.0397 
1 1 1   27    8   37 o  236.539   72.936   1.6386   0.9751   1.6386   0.9751   0.0000   0.0000  236.539   72.936  ?   ?       ?      ? 
1 1 1   27    8   39 o  473.781   44.917   6.6430   0.9457   7.0332   1.1375   5.7696   1.7017  510.985   43.298  436.577   78.711 74.40814 89.83363 
1 1 1   27    8   41 o  275.269   42.315   2.1248   0.4990   2.0760   0.5622   2.3057   1.0826  277.907   39.351  272.631   74.925 5.275513 84.63033 
1 1 1   27    8   43 o  180.438   40.768   0.9617   0.4230   1.0832   0.5055   0.6778   0.7726  193.468   50.338  167.407   64.142 26.06059 81.53571 
1 1 1   27    8   45 o  126.982   34.954   0.3321   0.3146   0.3245   0.3850   0.3475   0.5455  120.484   45.490  133.480   53.083 -12.99592 69.90787 
1 1 1   27    9    0 o  113.361   60.267   0.4791   0.4746   0.0000   0.0000   0.4791   0.4746  113.361   60.267  113.361   60.267 -0.000000 0.000000 
1 1 1   27    9    2 o  721.958   36.127   13.784   1.3184   11.683   1.9436   15.574   1.7944  669.209   56.490  774.708   45.051 -105.4994 72.25400 
1 1 1   27    9    4 o  1080.34   42.959   31.107   2.1272   29.220   3.9891   31.856   2.5145  1052.60   73.713  1108.08   44.139 -55.47986 85.91769 
1 1 1   27    9    6 o  1258.41   69.916   41.697   4.5234   41.697   4.5234   0.0000   0.0000  1258.41   69.916  ?   ?       ?      ? 
1 1 1   27    9    8 f  657.504   68.590   11.387   2.3186   11.387   2.3186   0.0000   0.0000  657.504   68.590  ?   ?       ?      ? 
1 1 1   27    9   10 o  439.750   58.333   6.4487   1.0981   7.7708   1.2915   2.9990   2.0862  546.596   45.958  332.904  107.232 213.6922 116.6654 
1 1 1   27    9   12 o  646.074   51.576   11.173   1.6750   11.608   2.1809   10.546   2.6157  663.885   63.895  628.263   80.981 35.62231 103.1526 
1 1 1   27    9   14 o  907.165   37.622   20.697   1.6987   24.942   2.8685   18.405   2.1082  974.680   57.243  839.650   48.836 135.0307 75.24432 
1 1 1   27    9   16 o  513.499   37.778   6.4955   0.9656   8.8505   1.6298   5.2216   1.1987  580.626   54.596  446.371   52.231 134.2546 75.55671 
1 1 1   27    9   18 o  210.739   43.942   1.0807   0.4741   1.5581   0.8827   0.8873   0.5620  238.751   68.402  182.727   55.180 56.02367 87.88406 
1 1 1   27    9   20 o  449.621   39.109   5.1694   0.8780   6.0373   1.4640   4.6818   1.0973  477.203   59.670  422.039   50.572 55.16382 78.21783 
1 1 1   27    9   22 o  319.802   46.533   2.8315   0.7390   2.8319   1.0699   2.8312   1.0218  319.385   67.282  320.218   64.300 -0.8330994 93.06664 
1 1 1   27    9   24 o  542.340   52.815   8.3955   1.3633   9.4430   1.7660   6.8506   2.1447  595.131   57.717  489.549   88.467 105.5818 105.6297 
1 1 1   27    9   26 o  943.128   39.356   22.480   1.7098   20.989   1.9868   26.736   3.3573  893.127   43.269  993.129   65.753 -100.0018 78.71262 
1 1 1   27    9   28 o  538.730   42.086   7.4866   1.0259   7.1149   1.1843   8.6045   2.0537  518.870   44.395  558.589   71.512 -39.71857 84.17148 
1 1 1   27    9   30 o  332.119   44.233   2.8227   0.6672   2.5297   0.7765   3.6493   1.3042  307.862   49.057  356.377   73.618 -48.51492 88.46626 
1 1 1   27    9   32 o  251.834   48.113   1.5396   0.5499   1.2926   0.6190   2.4633   1.1970  214.529   55.651  289.139   78.502 -74.61066 96.22691 
1 1 1   27    9   34 o  293.457   48.633   2.5482   0.6658   2.6709   0.7724   2.1932   1.3137  315.564   47.606  271.350   84.820 44.21448 97.26637 
1 1 1   27    9   36 o  269.286   68.176   2.1214   0.9448   2.1214   0.9448   0.0000   0.0000  269.286   68.176  ?   ?       ?      ? 
1 1 1   27    9   38 o  319.503   48.772   3.1400   0.7016   3.3293   0.8141   2.5932   1.3834  351.341   45.067  287.664   86.508 63.67731 97.54323 
1 1 1   27    9   40 o  558.301   42.478   9.2276   0.9766   9.5945   1.1119   7.9891   2.0428  600.150   36.036  516.451   76.934 83.69885 84.95563 
1 1 1   27    9   42 o  261.638   41.475   1.5378   0.4561   1.1930   0.5046   3.0778   1.0664  203.989   48.773  319.288   67.095 -115.2984 82.94936 
1 1 1   27    9   44 f  246.952   40.043   1.5056   0.4183   1.2781   0.4654   2.4612   0.9538  211.962   44.140  281.942   66.823 -69.98010 80.08539 
1 1 1   27    9   46 o  191.559   42.685   1.0125   0.4290   0.8564   0.5013   1.4395   0.8292  170.482   52.253  212.635   67.512 -42.15350 85.37070 
1 1 1   27   10    1 o  1032.86   46.066   28.289   2.2625   28.814   2.7402   27.163   4.0100  1052.21   50.654  1013.51   76.957 38.70581 92.13174 
1 1 1   27   10    3 o  950.263   44.915   23.204   2.0584   22.355   2.4899   25.038   3.6587  926.326   52.281  974.199   73.049 -47.87286 89.82959 
1 1 1   27   10    5 o  864.124   52.485   19.893   2.3085   22.567   3.2225   17.073   3.3087  926.275   67.668  801.972   80.248 124.3026 104.9696 
1 1 1   27   10    7 o  483.298   70.922   6.1645   1.7623   6.1645   1.7623   0.0000   0.0000  483.298   70.922  ?   ?       ?      ? 
1 1 1   27   10    9 o  349.229   55.415   3.1306   0.9700   2.0805   1.2313   4.8489   1.5751  276.624   81.233  421.835   75.394 -145.2105 110.8291 
1 1 1   27   10   11 o  288.185   44.154   2.4590   0.6190   1.5139   1.0658   2.9401   0.7604  240.124   76.572  336.246   43.987 -96.12263 88.30729 
1 1 1   27   10   13 o  818.157   49.738   17.527   2.0574   16.556   2.6484   19.007   3.2674  791.757   65.062  844.557   75.250 -52.79962 99.47662 
1 1 1   27   10   15 o  621.621   33.006   10.136   1.0466   8.7087   1.4811   11.560   1.4792  577.006   49.927  666.235   43.185 -89.22839 66.01284 
1 1 1   27   10   17 o  545.880   33.514   7.9079   0.9241   9.3412   1.2866   6.3803   1.3282  598.777   41.792  492.983   52.403 105.7948 67.02739 
1 1 1   27   10   19 o  524.435   38.470   6.9984   1.0127   8.4317   1.6670   6.1600   1.2749  564.776   57.410  484.095   51.224 80.68051 76.94047 
1 1 1   27   10   21 o  441.572   44.294   5.1069   1.0056   5.1069   1.0056   0.0000   0.0000  441.572   44.294  ?   ?       ?      ? 
1 1 1   27   10   23 o  318.693   49.930   2.8988   0.6751   2.9825   0.7569   2.5728   1.4938  337.166   43.661  300.220   89.809 36.94611 99.85950 
1 1 1   27   10   25 o  438.772   55.081   5.6345   1.1630   6.6963   1.5332   4.1954   1.7849  499.655   59.683  377.889   92.595 121.7660 110.1627 
1 1 1   27   10   27 o  407.043   45.987   4.6147   0.8105   4.6703   0.9437   4.4584   1.5828  420.776   43.621  393.311   80.972 27.46567 91.97450 
1 1 1   27   10   29 o  448.566   50.335   6.0856   0.9280   6.5312   1.0749   4.7806   1.8395  497.338   42.037  399.795   91.474 97.54312 100.6702 
1 1 1   27   10   31 f  405.613   46.990   4.6922   0.8067   4.7824   0.9310   4.4206   1.6159  424.800   42.630  386.426   83.754 38.37381 93.97928 
1 1 1   27   10   33 o  169.387   41.375   0.7336   0.3496   0.7875   0.3717   0.3198   1.0298  168.975   42.749  169.798   70.853 -0.8224792 82.75065 
1 1 1   27   10   35 o  158.883   47.800   0.6890   0.4223   0.6890   0.4223   0.0000   0.0000  158.883   47.800  ?   ?       ?      ? 
1 1 1   27   10   37 o  396.905   37.023   4.1778   0.7555   4.1778   0.7555   0.0000   0.0000  396.905   37.023  ?   ?       ?      ? 
1 1 1   27   10   39 o  230.045   46.571   1.4831   0.5159   1.4240   0.5873   1.6826   1.0797  223.423   52.089  236.667   77.216 -13.24339 93.14293 
1 1 1   27   10   41 o  370.372   44.571   3.7174   0.6518   3.5406   0.7224   4.4918   1.5118  362.882   38.721  377.862   80.294 -14.97980 89.14288 
1 1 1   27   10   43 o  177.542   40.131   0.8287   0.3598   0.7648   0.4057   1.0644   0.7791  163.802   46.180  191.283   65.646 -27.48180 80.26158 
1 1 1   27   10   45 o  229.831   41.311   1.6099   0.4427   1.6519   0.5004   1.4587   0.9497  245.505   39.645  214.156   72.488 31.34988 82.62115 
1 1 1   27   11    0 f  473.648   92.102   6.4780   1.9994   6.4780   1.9994   0.0000   0.0000  473.648   92.102  473.648   92.102 0.000000 0.000000 
1 1 1   27   11    2 o  1589.99   52.641   66.781   4.2804   58.058   5.9434   76.182   6.1698  1479.97   78.112  1700.02   70.591 -220.0500 105.2827 
1 1 1   27   11    4 o  811.234   52.489   17.423   2.1838   17.718   3.0012   17.092   3.1835  819.416   71.238  803.053   77.107 16.36371 104.9781 
1 1 1   27   11    6 o  583.413   45.363   8.7779   1.3245   9.6644   2.1753   8.2555   1.6697  605.191   69.912  561.635   57.824 43.55609 90.72644 
1 1 1   27   11    8 o  270.653   48.223   2.0479   0.6584   1.7563   1.0956   2.2128   0.8238  255.583   77.015  285.722   58.057 -30.13873 96.44646 
1 1 1   27   11   10 o  240.410   44.982   1.5407   0.5341   1.6399   0.9638   1.4968   0.6417  246.164   71.751  234.656   54.270 11.50848 89.96376 
1 1 1   27   11   12 o  960.561   33.355   24.032   1.6457   24.670   2.3906   23.457   2.2689  972.481   47.813  948.641   46.521 23.83966 66.71088 
1 1 1   27   11   14 o  381.754   51.717   3.7195   0.9756   2.7609   1.2309   5.3388   1.5998  315.274   76.678  448.235   69.420 -132.9612 103.4340 
1 1 1   27   11   16 o  716.465   45.913   13.614   1.4626   13.609   1.6910   13.627   2.9144  721.905   45.561  711.026   79.725 10.87927 91.82504 
1 1 1   27   11   18 o  482.846   52.665   5.9652   1.2413   4.6203   1.5532   8.3427   2.0650  408.087   76.847  557.604   72.033 -149.5168 105.3290 
1 1 1   27   11   20 o  385.895   46.639   3.9063   0.9253   3.9063   0.9253   0.0000   0.0000  385.895   46.639  ?   ?       ?      ? 
1 1 1   27   11   22 o  471.324   47.944   6.0631   0.9350   6.0695   1.0642   6.0417   1.9581  481.248   43.012  461.399   85.700 19.84909 95.88848 
1 1 1   27   11   24 o  248.191   49.799   1.5280   0.5340   1.4381   0.5829   1.9974   1.3319  228.795   50.870  267.588   85.628 -38.79292 99.59895 
1 1 1   27   11   26 o  702.741   49.910   13.689   1.7579   14.371   2.2891   12.709   2.7445  729.849   61.005  675.633   79.010 54.21545 99.82087 
1 1 1   27   11   28 o  554.841   42.553   8.3764   1.0701   8.4238   1.2533   8.2492   2.0552  564.647   43.174  545.034   73.342 19.61285 85.10606 
1 1 1   27   11   30 o  736.767   37.104   13.000   1.1401   11.979   1.2625   17.514   2.6548  675.286   36.363  798.248   64.688 -122.9630 74.20806 
1 1 1   27   11   32 o  312.895   48.034   3.2265   0.6037   3.4949   0.6649   1.9663   1.4408  364.592   35.474  261.199   89.279 103.3928 96.06877 
1 1 1   27   11   34 o  358.726   45.867   3.4458   0.8459   3.4458   0.8459   0.0000   0.0000  358.726   45.867  ?   ?       ?      ? 
1 1 1   27   11   36 o  251.847   48.303   1.4849   0.5414   1.1919   0.6030   2.7036   1.2299  204.864   55.760  298.831   78.890 -93.96738 96.60686 
1 1 1   27   11   38 o  597.760   43.886   10.085   1.2013   10.110   1.4182   10.022   2.2605  611.582   45.103  583.937   75.297 27.64520 87.77212 
1 1 1   27   11   40 o  361.617   50.222   4.9894   0.7551   5.7969   0.8540   2.0949   1.6169  466.336   35.619  256.899   93.917 209.4378 100.4443 
1 1 1   27   11   42 o  269.959   44.083   1.8274   0.4855   1.6118   0.5334   2.8674   1.1716  239.118   45.043  300.799   75.791 -61.68047 88.16543 
1 1 1   27   11   44 o  308.988   45.549   3.0648   0.5821   3.1931   0.6540   2.5761   1.2768  343.234   37.059  274.742   83.219 68.49188 91.09752 
1 1 1   27   12    1 o  272.544   38.098   2.0021   0.5171   1.7994   0.7854   2.1572   0.6871  257.054   60.442  288.035   46.397 -30.98163 76.19655 
1 1 1   27   12    3 f  162.992   39.815   0.6519   0.3896   0.2884   0.7785   0.7734   0.4500  155.622   62.888  170.363   48.848 -14.74071 79.63073 
1 1 1   27   12    5 o  456.975   42.646   5.3206   0.8976   5.8345   1.7358   5.1330   1.0487  469.699   71.880  444.251   45.915 25.44797 85.29299 
1 1 1   27   12    7 o  1132.42   44.254   33.125   2.5334   36.897   4.0419   30.683   3.2513  1182.99   66.457  1081.85   58.456 101.1429 88.50761 
1 1 1   27   12    9 o  258.271   53.410   1.5323   0.7787   0.7509   0.9760   2.9008   1.2917  192.864   72.510  323.678   78.440 -130.8145 106.8206 
1 1 1   27   12   11 o  1016.21   43.230   25.081   2.0824   22.128   2.4479   32.812   3.9613  919.830   51.763  1112.58   69.253 -192.7527 86.45994 
1 1 1   27   12   13 f  386.811   55.049   4.3749   0.9533   4.7372   1.1207   3.4267   1.8133  425.392   51.244  348.229   97.446 77.16364 110.0985 
1 1 1   27   12   15 o  587.354   81.712   9.3182   2.4675   0.0000   0.0000   9.3182   2.4675  ?   ?   587.354   81.712      ?      ? 
1 1 1   27   12   17 o  268.587   68.717   1.9991   0.9528   1.9991   0.9528   0.0000   0.0000  268.587   68.717  ?   ?       ?      ? 
1 1 1   27   12   19 f  260.561   52.829   1.8508   0.6835   1.8508   0.6835   0.0000   0.0000  260.561   52.829  ?   ?       ?      ? 
1 1 1   27   12   21 o  484.468   38.951   4.8559   0.7373   4.2454   0.7950   8.6129   1.9720  403.344   38.336  565.593   67.816 -162.2489 77.90150 
1 1 1   27   12   23 o  395.878   39.577   2.8782   0.5952   2.3751   0.6350   6.5169   1.7077  301.057   41.025  490.699   67.692 -189.6417 79.15330 
1 1 1   27   12   25 o  497.960   52.156   7.8594   0.8958   8.3616   0.9870   5.5126   2.1336  566.133   33.909  429.787   98.647 136.3458 104.3119 
1 1 1   27   12   27 o  213.506   42.058   1.3426   0.4239   1.4615   0.4611   0.6929   1.0777  235.978   38.003  191.035   75.042 44.94327 84.11586 
1 1 1   27   12   29 o  275.683   46.600   2.2690   0.6131   2.4688   0.7141   1.7089   1.1958  304.843   45.561  246.522   81.303 58.32091 93.19916 
1 1 1   27   12   31 o  344.847   41.968   2.6732   0.5752   2.3258   0.6289   4.4535   1.4236  296.369   41.272  393.325   73.089 -96.95630 83.93655 
1 1 1   27   12   33 o  545.842   45.258   8.2969   1.0804   8.3415   1.2448   8.1607   2.1747  559.660   43.263  532.023   79.507 27.63708 90.51537 
1 1 1   27   12   35 o  723.289   38.760   13.464   1.1739   12.870   1.3116   15.854   2.6318  697.689   36.565  748.889   68.355 -51.20032 77.52050 
1 1 1   27   12   37 o  388.164   49.658   4.1416   0.8319   3.9057   0.9510   4.9102   1.7168  379.018   48.805  397.310   86.498 -18.29126 99.31663 
1 1 1   27   12   39 o  291.861   47.624   2.9355   0.6831   3.4645   0.7944   1.4340   1.3384  357.964   43.167  225.757   84.904 132.2070 95.24701 
1 1 1   27   12   41 o  162.805   39.538   0.7155   0.3286   0.7651   0.3509   0.3621   0.9366  164.925   41.437  160.686   67.351 4.239517 79.07661 
1 1 1   27   12   43 o  123.757   36.364   0.2499   0.2723   0.2790   0.2877   0.0000   0.8441  109.169   39.660  138.346   60.963 -29.17669 72.72792 
1 1 1   27   12   45 o  320.784   50.341   2.9419   0.8302   2.9419   0.8302   0.0000   0.0000  320.784   50.341  ?   ?       ?      ? 
1 1 1   27   13    0 f  769.789   35.280   15.381   1.3896   15.381   1.3896   0.0000   0.0000  769.789   35.280  769.789   35.280 0.000000 0.000000 
1 1 1   27   13    2 o  233.733   47.713   1.5969   0.6069   1.9187   0.7016   0.6403   1.2096  266.569   53.059  200.896   79.314 65.67348 95.42514 
1 1 1   27   13    4 o  453.179   49.405   5.7124   0.9448   5.9138   1.0924   5.1147   1.8821  476.915   44.552  429.444   88.197 47.47067 98.81070 
1 1 1   27   13    6 o  525.433   51.346   8.1337   1.1123   8.8911   1.2989   6.0508   2.1540  584.867   43.198  465.999   93.164 118.8684 102.6919 
1 1 1   27   13    8 o  311.956   78.206   2.6948   1.2519   2.6948   1.2519   0.0000   0.0000  311.956   78.206  ?   ?       ?      ? 
1 1 1   27   13   10 o  196.532   49.138   0.8852   0.6457   1.2662   0.8411   0.3383   1.0078  218.665   67.791  174.399   71.153 44.26672 98.27692 
1 1 1   27   13   12 o  768.951   56.757   15.827   2.2058   12.263   3.0122   19.948   3.2392  672.987   87.059  864.915   72.843 -191.9282 113.5135 
1 1 1   27   13   14 f  299.591   75.970   2.4983   1.1718   2.4983   1.1718   0.0000   0.0000  299.591   75.970  ?   ?       ?      ? 
1 1 1   27   13   16 o  609.330   63.474   9.8634   1.9885   9.8634   1.9885   0.0000   0.0000  609.330   63.474  ?   ?       ?      ? 
1 1 1   27   13   18 o  1003.04   46.947   27.802   2.0115   28.620   2.3044   25.186   4.1225  1046.40   42.834  959.671   83.553 86.73267 93.89317 
1 1 1   27   13   20 o  594.026   44.326   9.0040   1.1405   8.6506   1.2911   10.258   2.4327  574.564   43.708  613.487   77.127 -38.92291 88.65134 
1 1 1   27   13   22 o  807.003   41.839   15.968   1.4845   14.749   1.6794   20.323   3.1750  749.457   43.586  864.549   71.431 -115.0928 83.67864 
1 1 1   27   13   24 o  330.312   47.209   2.2884   0.6298   1.8283   0.6893   4.6134   1.5496  257.582   53.789  403.041   77.598 -145.4589 94.41751 
1 1 1   27   13   26 o  669.356   48.143   11.623   1.5977   8.2041   2.0353   17.112   2.5790  544.949   72.646  793.763   63.195 -248.8140 96.28652 
1 1 1   27   13   28 o  432.946   49.494   5.5806   0.9013   5.9372   1.0502   4.5839   1.7558  473.712   43.119  392.179   89.104 81.53333 98.98891 
1 1 1   27   13   30 o  145.027   39.620   0.4365   0.3623   0.5225   0.3964   0.0000   0.8932  142.312   46.805  147.742   63.939 -5.430267 79.23962 
1 1 1   27   13   32 o  297.594   53.952   2.7126   0.8229   3.0293   1.0227   2.1306   1.3861  326.740   63.163  268.448   87.485 58.29233 107.9031 
1 1 1   27   13   34 o  295.252   47.550   2.9244   0.6807   3.4654   0.7931   1.4107   1.3266  360.400   42.804  230.104   84.923 130.2960 95.10050 
1 1 1   27   13   36 o  245.539   43.541   1.8884   0.5562   2.2287   0.6621   1.0728   1.0251  287.818   44.746  203.260   74.707 84.55756 87.08240 
1 1 1   27   13   38 o  181.664   45.685   0.7327   0.3867   0.6866   0.4108   1.0916   1.1458  157.427   47.098  205.901   78.296 -48.47345 91.37032 
1 1 1   27   13   40 o  152.787   41.311   0.5517   0.3717   0.6288   0.3968   0.0000   1.0611  150.782   46.531  154.792   68.274 -4.010330 82.62232 
1 1 1   27   13   42 o  288.233   45.672   2.9913   0.6842   3.7849   0.8169   1.1259   1.2525  371.845   42.730  204.621   80.733 167.2236 91.34373 
1 1 1   27   13   44 o  364.721   54.284   4.0418   1.0248   2.2343   1.3062   6.9346   1.6525  253.395   85.017  476.047   67.520 -222.6514 108.5674 
1 1 1   27   14    1 o  452.311   60.659   5.6313   1.3700   4.4200   1.9330   6.8537   1.9419  396.521   95.874  508.100   74.338 -111.5792 121.3171 
1 1 1   27   14    3 o  726.865   38.313   13.701   1.4317   13.701   1.4317   0.0000   0.0000  726.865   38.313  ?   ?       ?      ? 
1 1 1   27   14    5 o  336.858   47.419   2.9573   0.8212   2.9573   0.8212   0.0000   0.0000  336.858   47.419  ?   ?       ?      ? 
1 1 1   27   14    7 o  474.682   45.237   5.8679   1.1040   5.8679   1.1040   0.0000   0.0000  474.682   45.237  ?   ?       ?      ? 
1 1 1   27   14    9 f  275.727   86.580   2.0498   1.3671   0.0000   0.0000   2.0498   1.3671  ?   ?   275.727   86.580      ?      ? 
1 1 1   27   14   11 o  976.857   48.809   25.215   2.3361   24.875   2.8895   25.857   3.9694  972.195   57.810  981.518   78.660 -9.322632 97.61863 
1 1 1   27   14   13 o  307.836   46.146   2.4757   0.7303   2.4757   0.7303   0.0000   0.0000  307.836   46.146  ?   ?       ?      ? 
1 1 1   27   14   15 o  352.042   37.971   3.2240   0.6873   3.2240   0.6873   0.0000   0.0000  352.042   37.971  ?   ?       ?      ? 
1 1 1   27   14   17 o  577.881   57.063   10.530   1.2660   11.669   1.4527   6.9356   2.5808  668.341   42.279  487.422  106.007 180.9184 114.1270 
1 1 1   27   14   19 o  665.957   46.914   11.790   1.3153   11.705   1.4838   12.099   2.8411  668.570   43.168  663.343   83.307 5.227295 93.82721 
1 1 1   27   14   21 o  222.015   46.949   1.2351   0.4738   1.1889   0.5195   1.4634   1.1544  208.218   49.294  235.811   79.919 -27.59297 93.89864 
1 1 1   27   14   23 o  191.127   47.223   0.7760   0.4227   0.7286   0.4520   1.1068   1.1933  164.799   49.422  217.455   80.484 -52.65576 94.44655 
1 1 1   27   14   25 o  152.321   43.529   0.3968   0.3802   0.4433   0.4019  -0.0000   1.1731  135.648   47.116  168.993   73.207 -33.34563 87.05877 
1 1 1   27   14   27 o  673.851   51.474   12.927   1.7190   14.237   2.2432   11.064   2.6759  724.248   60.243  623.454   83.482 100.7938 102.9485 
1 1 1   27   14   29 o  456.142   40.992   5.2643   0.8609   4.8177   0.9973   6.5704   1.7054  425.492   45.588  486.791   68.141 -61.29953 81.98466 
1 1 1   27   14   31 o  356.116   52.493   4.2716   1.0130   6.3365   1.3016   1.0997   1.6132  484.467   52.256  227.765   91.058 256.7021 104.9868 
1 1 1   27   14   33 f  211.231   43.204   1.4143   0.4840   1.6418   0.5215   0.0000   1.3004  248.588   40.800  173.875   76.169 74.71307 86.40784 
1 1 1   27   14   35 o  131.629   35.417   0.3758   0.3080   0.4731   0.3456   0.0000   0.6791  134.381   43.680  128.876   55.763 5.505325 70.83362 
1 1 1   27   14   37 o  279.241   50.750   2.3829   0.8012   3.5713   1.1146   1.1127   1.1524  350.738   64.178  207.744   78.634 142.9934 101.4997 
1 1 1   27   14   39 o  230.357   46.839   1.4317   0.5015   1.3154   0.5619   1.8870   1.1117  214.046   51.649  246.668   78.153 -32.62260 93.67797 
1 1 1   27   14   41 o  144.189   39.480   0.3449   0.2810   0.2949   0.2970   0.7709   0.8670  111.817   40.346  176.560   67.874 -64.74298 78.95973 
1 1 1   27   14   43 o  182.802   43.303   0.9684   0.4258   1.0107   0.4707   0.7778   0.9993  186.329   48.621  179.276   71.670 7.052704 86.60556 
1 1 1   27   15    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15    4 o  922.799   56.031   22.330   2.6583   22.330   2.6583   0.0000   0.0000  922.799   56.031  ?   ?       ?      ? 
1 1 1   27   15    6 f  271.654   50.360   2.0121   0.6807   2.0036   0.8265   2.0302   1.2004  270.754   60.855  272.554   80.257 -1.799774 100.7201 
1 1 1   27   15    8 o  308.022   61.777   2.5863   0.9443   2.5863   0.9443   0.0000   0.0000  308.022   61.777  ?   ?       ?      ? 
1 1 1   27   15   10 o  297.048   46.299   2.3036   0.7071   2.3036   0.7071   0.0000   0.0000  297.048   46.299  ?   ?       ?      ? 
1 1 1   27   15   12 o  848.984   37.752   18.733   1.6478   18.733   1.6478   0.0000   0.0000  848.984   37.752  ?   ?       ?      ? 
1 1 1   27   15   14 o  546.346   46.540   8.2269   0.9701   8.3787   1.0689   7.5182   2.3096  567.734   36.621  524.958   85.574 42.77606 93.08035 
1 1 1   27   15   16 o  403.632   53.101   4.9535   0.7590   5.1707   0.8265   3.7839   1.9181  445.859   36.054  361.406   99.895 84.45355 106.2026 
1 1 1   27   15   18 o  637.925   37.377   8.9462   0.9577   8.0174   1.0430   13.934   2.4171  554.770   36.569  721.080   65.199 -166.3098 74.75433 
1 1 1   27   15   20 o  231.408   48.188   1.3078   0.4254   1.2858   0.4472   1.5165   1.3773  218.161   41.387  244.655   87.037 -26.49379 96.37594 
1 1 1   27   15   22 o  700.425   50.424   14.811   1.2322   15.472   1.3447   11.347   3.0780  770.394   33.949  630.455   94.961 139.9391 100.8476 
1 1 1   27   15   24 o  519.835   39.009   6.1161   0.8013   5.5654   0.8707   9.1615   2.0475  461.073   36.733  578.597   68.829 -117.5245 78.01721 
1 1 1   27   15   26 o  192.807   42.210   1.1114   0.4011   1.2472   0.4249   0.0000   1.2156  214.447   40.015  171.166   74.334 43.28072 84.42036 
1 1 1   27   15   28 o  391.864   50.720   4.9492   0.7267   5.2786   0.8019   3.4339   1.7197  448.665   34.762  335.063   95.298 113.6024 101.4404 
1 1 1   27   15   30 o  258.760   48.551   1.8458   0.6222   1.8458   0.6222   0.0000   0.0000  258.760   48.551  ?   ?       ?      ? 
1 1 1   27   15   32 o  540.866   45.348   8.4305   0.9409   8.6209   1.0422   7.5914   2.1876  572.090   35.434  509.641   83.489 62.44876 90.69688 
1 1 1   27   15   34 o  367.106   50.816   4.3063   0.8218   4.7897   0.9671   3.0507   1.5586  422.625   44.509  311.587   91.367 111.0376 101.6313 
1 1 1   27   15   36 o  267.431   42.850   2.0979   0.4873   2.1482   0.5445   1.8956   1.0922  284.250   37.259  250.611   77.177 33.63861 85.70041 
1 1 1   27   15   38 o  427.520   38.308   4.7434   0.7082   4.4622   0.7994   5.7690   1.5268  408.358   38.078  446.681   66.482 -38.32236 76.61511 
1 1 1   27   15   40 o  293.659   44.499   1.8944   0.5123   1.5386   0.5556   3.9132   1.3235  232.485   48.069  354.832   74.899 -122.3468 88.99703 
1 1 1   27   15   42 o  360.694   56.483   4.2766   1.0126   4.4860   1.3375   3.9953   1.5499  379.798   71.109  341.589   87.777 38.20877 112.9657 
1 1 1   27   15   44 o  162.056   43.522   0.7574   0.3703   0.7574   0.3703   0.0000   0.0000  162.056   43.522  ?   ?       ?      ? 
1 1 1   27   16    1 o  854.521   54.534   19.527   2.3932   20.390   3.3674   18.645   3.4018  874.548   74.893  834.495   79.289 40.05383 109.0674 
1 1 1   27   16    3 o  209.872   49.860   0.9747   0.5363   0.8691   0.5990   1.4016   1.2045  182.595   57.305  237.149   81.610 -54.55402 99.71996 
1 1 1   27   16    5 o  885.276   42.068   19.241   1.6989   17.763   1.9576   23.749   3.4192  825.277   46.138  945.276   70.356 -119.9991 84.13501 
1 1 1   27   16    7 o  389.507   47.209   3.9618   0.9454   3.9618   0.9454   0.0000   0.0000  389.507   47.209  ?   ?       ?      ? 
1 1 1   27   16    9 o  213.760   71.045   1.1685   0.9125   1.1685   0.9125   0.0000   0.0000  213.760   71.045  ?   ?       ?      ? 
1 1 1   27   16   11 o  487.755   47.239   6.1211   0.9899   5.9519   1.1195   6.7271   2.1192  477.267   45.626  498.243   82.731 -20.97543 94.47841 
1 1 1   27   16   13 f  648.014   39.795   9.5387   1.0574   8.6544   1.1608   13.850   2.5632  576.494   39.163  719.534   69.288 -143.0401 79.59014 
1 1 1   27   16   15 o  148.967   37.334   0.5413   0.2962   0.6156   0.3159   0.0000   0.8525  150.975   40.041  146.960   63.023 4.015808 74.66702 
1 1 1   27   16   17 o  541.988   56.458   9.2442   1.1911   10.227   1.3697   6.1975   2.4119  625.079   42.622  458.896  104.562 166.1826 112.9152 
1 1 1   27   16   19 o  635.792   46.266   10.457   1.2454   10.139   1.4004   11.658   2.7237  621.492   43.828  650.092   81.493 -28.59918 92.53147 
1 1 1   27   16   21 o  567.178   44.116   7.7387   0.9128   7.3782   0.9806   10.078   2.4980  531.596   35.880  602.759   80.607 -71.16345 88.23180 
1 1 1   27   16   23 o  405.328   49.019   4.2140   0.6826   4.0844   0.7317   5.0823   1.8943  395.169   36.016  415.487   91.182 -20.31744 98.03716 
1 1 1   27   16   25 o  663.275   39.544   10.091   1.0283   9.2489   1.1164   14.808   2.6415  593.938   36.559  732.612   70.131 -138.6736 79.08820 
1 1 1   27   16   27 o  506.725   51.068   7.0949   1.0449   6.9992   1.1763   7.4530   2.2751  513.523   44.556  499.927   91.904 13.59604 102.1351 
1 1 1   27   16   29 o  250.942   65.283   1.8040   0.8503   1.8040   0.8503   0.0000   0.0000  250.942   65.283  ?   ?       ?      ? 
1 1 1   27   16   31 o  355.277   46.738   3.5980   0.6235   3.6144   0.6844   3.5181   1.5114  370.388   35.940  340.165   86.290 30.22391 93.47536 
1 1 1   27   16   33 f  310.242   44.599   2.4782   0.5285   2.3553   0.5752   3.1442   1.3389  298.265   37.510  322.220   80.929 -23.95471 89.19885 
1 1 1   27   16   35 o  501.675   38.595   5.9848   0.8001   5.4072   0.8813   8.6920   1.9081  450.910   38.016  552.440   67.180 -101.5302 77.19063 
1 1 1   27   16   37 o  585.807   46.038   10.146   1.2083   10.586   1.4285   9.0378   2.2657  625.124   44.446  546.489   80.639 78.63519 92.07620 
1 1 1   27   16   39 o  428.028   44.204   5.0084   0.8804   4.6452   1.0318   5.9809   1.6883  410.015   48.945  446.041   73.622 -36.02637 88.40704 
1 1 1   27   16   41 o  288.587   46.925   2.1094   0.5143   1.9294   0.5535   3.2452   1.3906  266.211   40.442  310.964   84.689 -44.75220 93.84965 
1 1 1   27   16   43 o  168.687   44.188   0.8202   0.3878   0.8202   0.3878   0.0000   0.0000  168.687   44.188  ?   ?       ?      ? 
1 1 1   27   17    0 o  699.327   80.407   13.328   2.7918   13.328   2.7918   0.0000   0.0000  699.327   80.407  699.327   80.407 0.000000 0.000000 
1 1 1   27   17    2 o  981.244   54.424   25.701   2.7371   23.041   3.7683   28.672   3.9822  926.565   79.104  1035.92   74.770 -109.3580 108.8486 
1 1 1   27   17    4 o  227.883   49.884   1.2732   0.5215   1.2414   0.5685   1.4416   1.3100  213.514   52.218  242.253   85.010 -28.73843 99.76701 
1 1 1   27   17    6 o  223.034   47.643   1.2515   0.5160   1.2019   0.5812   1.4359   1.1209  210.044   53.632  236.023   78.758 -25.97923 95.28507 
1 1 1   27   17    8 o  383.685   45.462   3.8445   0.8968   3.8445   0.8968   0.0000   0.0000  383.685   45.462  ?   ?       ?      ? 
1 1 1   27   17   10 o  555.497   54.213   8.1781   1.5353   7.2654   2.0197   9.4276   2.3631  519.722   75.586  591.272   77.736 -71.54907 108.4257 
1 1 1   27   17   12 o  153.933   44.448   0.6332   0.3714   0.6332   0.3714   0.0000   0.0000  153.933   44.448  ?   ?       ?      ? 
1 1 1   27   17   14 o  492.104   43.731   6.0104   0.8422   5.7853   0.9213   7.1546   2.0772  471.238   38.029  512.969   78.763 -41.73157 87.46275 
1 1 1   27   17   16 o  569.197   37.812   6.8715   0.8648   6.0149   0.9397   11.615   2.2112  480.223   38.060  658.171   65.347 -177.9479 75.62316 
1 1 1   27   17   18 o  360.027   53.822   4.0228   0.8276   4.3777   0.9395   2.7946   1.7478  408.185   44.771  311.868   97.891 96.31635 107.6431 
1 1 1   27   17   20 o  789.345   42.618   15.601   1.2606   15.103   1.3663   18.453   3.2691  760.890   34.925  817.801   77.753 -56.91125 85.23658 
1 1 1   27   17   22 o  286.682   50.690   2.5456   0.5627   2.6691   0.5984   1.6020   1.6539  319.402   36.440  253.961   94.604 65.44092 101.3794 
1 1 1   27   17   24 o  454.060   47.552   4.9747   0.7541   4.6952   0.8078   6.8690   2.1029  423.090   37.136  485.031   87.553 -61.94128 95.10316 
1 1 1   27   17   26 o  632.360   45.847   10.756   1.0622   10.663   1.1530   11.279   2.7299  637.698   35.169  627.022   84.682 10.67566 91.69432 
1 1 1   27   17   28 o  272.778   65.458   2.1304   0.9063   2.1304   0.9063   0.0000   0.0000  272.778   65.458  ?   ?       ?      ? 
1 1 1   27   17   30 o  385.179   48.838   4.0731   0.7884   3.9541   0.8936   4.4914   1.6747  384.814   45.168  385.544   86.605 -0.7301941 97.67550 
1 1 1   27   17   32 f  327.640   41.062   2.2233   0.5210   1.8496   0.5630   4.4492   1.3741  263.547   41.552  391.733   70.835 -128.1856 82.12315 
1 1 1   27   17   34 f  162.424   40.207   0.4267   0.2917   0.3236   0.3101   1.2208   0.8605  116.728   41.324  208.121   68.983 -91.39262 80.41367 
1 1 1   27   17   36 o  162.778   37.687   0.7346   0.3225   0.7998   0.3534   0.4093   0.7892  169.430   41.011  156.126   63.240 13.30313 75.37326 
1 1 1   27   17   38 o  286.386   43.900   1.9712   0.5680   1.4412   0.6508   3.6648   1.1634  222.114   56.776  350.658   66.974 -128.5441 87.80099 
1 1 1   27   17   40 o  162.309   40.527   0.4693   0.2982   0.3669   0.3174   1.2399   0.8706  120.541   41.869  204.077   69.402 -83.53652 81.05301 
1 1 1   27   17   42 o  319.711   38.683   2.7869   0.6358   2.7869   0.6358   0.0000   0.0000  319.711   38.683  ?   ?       ?      ? 
1 1 1   27   18    1 o  928.170   54.694   23.131   2.6077   21.884   3.6607   24.415   3.7155  901.959   78.942  954.380   75.722 -52.42059 109.3877 
1 1 1   27   18    3 f  790.497   55.103   16.763   2.2370   15.827   3.0865   17.800   3.2469  767.149   78.255  813.844   77.598 -46.69550 110.2060 
1 1 1   27   18    5 o  340.701   51.239   3.2489   0.7626   3.3368   0.8717   2.9621   1.5743  357.189   47.469  324.213   90.820 32.97607 102.4775 
1 1 1   27   18    7 o  675.652   41.254   10.890   1.2809   9.6315   1.4739   14.773   2.5892  606.714   47.253  744.591   67.637 -137.8774 82.50818 
1 1 1   27   18    9 o  671.386   43.109   10.934   1.2928   10.004   1.4710   14.089   2.7096  618.321   46.273  724.452   72.748 -106.1313 86.21783 
1 1 1   27   18   11 o  259.260   48.358   1.9859   0.5905   2.1701   0.6545   1.1802   1.3691  288.063   44.196  230.456   86.028 57.60687 96.71600 
1 1 1   27   18   13 o  304.754   50.192   2.5616   0.5907   2.5838   0.6385   2.4302   1.5550  314.720   39.463  294.787   92.302 19.93231 100.3843 
1 1 1   27   18   15 o  363.861   53.120   4.6806   0.7410   5.1982   0.8106   2.0517   1.8270  446.846   35.286  280.876  100.210 165.9703 106.2410 
1 1 1   27   18   17 o  346.332   49.132   3.5644   0.6273   3.6907   0.6836   2.8918   1.5779  376.306   35.334  316.359   91.691 59.94699 98.26348 
1 1 1   27   18   19 o  582.667   45.870   8.8063   1.1525   8.5053   1.3046   9.8763   2.4597  568.364   44.646  596.970   80.143 -28.60565 91.73917 
1 1 1   27   18   21 o  208.307   46.378   0.6965   0.3464   0.5774   0.3611   2.0711   1.2266  147.101   44.189  269.513   81.553 -122.4126 92.75524 
1 1 1   27   18   23 o  506.475   53.302   7.6107   0.9158   7.7892   0.9949   6.6194   2.3444  545.453   35.476  467.497  100.528 77.95581 106.6040 
1 1 1   27   18   25 o  1001.29   42.344   25.036   1.8524   23.191   2.0920   31.735   3.9859  935.735   43.486  1066.84   72.671 -131.1076 84.68790 
1 1 1   27   18   27 o  254.958   64.867   1.8585   0.8523   1.8585   0.8523   0.0000   0.0000  254.958   64.867  ?   ?       ?      ? 
1 1 1   27   18   29 o  515.922   55.703   8.6756   1.1297   9.6223   1.3064   5.8682   2.2497  601.839   42.220  430.006  103.097 171.8334 111.4069 
1 1 1   27   18   31 o  259.770   44.845   2.3190   0.5358   2.6144   0.5870   0.8448   1.3113  314.703   36.279  204.836   82.025 109.8674 89.68948 
1 1 1   27   18   33 o  263.923   43.173   2.6071   0.5452   3.0591   0.5988   0.4185   1.3176  340.468   34.211  187.378   79.280 153.0904 86.34660 
1 1 1   27   18   35 f  166.740   37.449   0.8331   0.3636   1.0181   0.4020   0.0000   0.8528  191.296   42.020  142.185   62.000 49.11063 74.89796 
1 1 1   27   18   37 o  423.331   36.802   4.0656   0.6571   3.4792   0.7245   6.7838   1.5597  359.898   39.156  486.764   62.325 -126.8660 73.60471 
1 1 1   27   18   39 o  142.633   37.699   0.4942   0.3661   0.6439   0.4178   0.0000   0.7592  152.209   47.878  133.057   58.245 19.15176 75.39746 
1 1 1   27   18   41 o  311.827   37.514   2.6365   0.6014   2.6365   0.6014   0.0000   0.0000  311.827   37.514  ?   ?       ?      ? 
1 1 1   27   18   43 o  224.307   43.295   1.0934   0.4134   0.8045   0.4510   2.6143   1.0346  165.717   49.293  282.896   71.189 -117.1785 86.58969 
1 1 1   27   19    0 o  430.802   95.431   5.5481   1.8480   5.5481   1.8480   0.0000   0.0000  430.802   95.431  430.802   95.431 0.000000 0.000000 
1 1 1   27   19    2 o  747.948   55.084   15.066   2.1148   13.946   2.9507   16.249   3.0324  718.504   79.879  777.391   75.871 -58.88678 110.1682 
1 1 1   27   19    4 o  1050.25   54.819   29.554   2.9203   23.536   3.9748   36.611   4.3047  931.172   83.027  1169.32   71.604 -238.1503 109.6388 
1 1 1   27   19    6 o  247.067   46.251   1.5691   0.5322   1.4648   0.6101   1.9013   1.0889  231.630   52.451  262.503   76.194 -30.87280 92.50213 
1 1 1   27   19    8 o  352.787   46.513   3.2596   0.8436   3.2596   0.8436   0.0000   0.0000  352.787   46.513  ?   ?       ?      ? 
1 1 1   27   19   10 o  446.304   61.200   5.5240   1.3405   4.9418   1.7506   6.3492   2.0841  418.691   84.243  473.916   88.797 -55.22452 122.4002 
1 1 1   27   19   12 o  544.651   47.658   7.8384   1.1168   7.7358   1.2688   8.1912   2.3527  543.146   45.438  546.156   83.788 -3.009949 95.31573 
1 1 1   27   19   14 o  678.291   46.039   12.188   1.1842   12.111   1.2949   12.581   2.9269  681.567   36.954  675.015   84.338 6.552002 92.07890 
1 1 1   27   19   16 o  276.439   47.252   2.4435   0.5492   2.6546   0.5965   1.2696   1.4067  318.985   36.373  233.893   87.224 85.09192 94.50456 
1 1 1   27   19   18 o  347.253   52.698   3.7902   0.7857   4.1471   0.8905   2.5353   1.6697  397.057   43.621  297.449   95.945 99.60806 105.3962 
1 1 1   27   19   20 o  328.110   52.408   3.0252   0.7183   3.0382   0.7979   2.9696   1.6505  339.069   45.770  317.152   94.294 21.91653 104.8155 
1 1 1   27   19   22 o  291.307   51.708   2.6387   0.5641   2.7490   0.5960   1.6924   1.7459  323.995   35.782  258.620   97.028 65.37479 103.4159 
1 1 1   27   19   24 o  294.922   52.812   2.3548   0.6251   2.3206   0.6744   2.5636   1.6643  295.847   44.341  293.998   95.866 1.849792 105.6238 
1 1 1   27   19   26 o  604.260   36.052   9.5970   1.1200   9.5970   1.1200   0.0000   0.0000  604.260   36.052  ?   ?       ?      ? 
1 1 1   27   19   28 o  359.310   55.293   3.9130   0.8101   4.0213   0.8983   3.4410   1.8750  388.279   44.997  330.341  101.018 57.93799 110.5861 
1 1 1   27   19   30 o  299.151   49.225   2.5306   0.6291   2.5140   0.7011   2.5994   1.4253  306.665   44.470  291.636   87.833 15.02899 98.44946 
1 1 1   27   19   32 o  269.079   46.550   2.3916   0.5402   2.5906   0.5879   1.3107   1.3698  312.828   36.551  225.331   85.626 87.49696 93.10071 
1 1 1   27   19   34 o  496.426   53.203   7.7322   0.9216   7.9859   1.0118   6.4957   2.2335  548.573   35.875  444.279  100.175 104.2941 106.4050 
1 1 1   27   19   36 o  338.283   44.368   2.9724   0.5878   2.7746   0.6459   3.9258   1.4183  321.614   39.063  354.952   79.675 -33.33829 88.73570 
1 1 1   27   19   38 o  220.616   47.036   1.3201   0.4937   1.2115   0.5517   1.7566   1.1062  204.396   52.287  236.836   78.202 -32.43985 94.07181 
1 1 1   27   19   40 o  423.988   46.601   4.9982   1.0158   4.9982   1.0158   0.0000   0.0000  423.988   46.601  ?   ?       ?      ? 
1 1 1   27   19   42 o  313.422   38.288   2.1739   0.5075   1.6818   0.5599   4.4384   1.2011  241.258   46.829  385.587   60.587 -144.3290 76.57513 
1 1 1   27   20    1 o  274.686   58.811   2.0763   0.9044   1.8593   1.2660   2.3025   1.2923  262.119   83.439  287.253   82.902 -25.13370 117.6212 
1 1 1   27   20    3 o  520.100   60.249   7.5815   1.5448   8.3473   2.0845   6.6485   2.3008  557.328   72.746  482.872   96.060 74.45563 120.4972 
1 1 1   27   20    5 o  468.631   46.479   5.3019   1.0387   4.4749   1.2229   7.4437   1.9680  411.234   57.840  526.028   72.771 -114.7934 92.95731 
1 1 1   27   20    7 o  355.372   50.702   3.6160   0.7881   3.7803   0.9107   3.1259   1.5729  379.747   46.645  330.997   90.038 48.75031 101.4031 
1 1 1   27   20    9 o  851.407   41.760   17.132   1.6150   15.031   1.8441   24.048   3.3450  756.631   47.406  946.183   68.763 -189.5521 83.52080 
1 1 1   27   20   11 o  838.009   54.283   19.190   2.3090   19.639   3.0599   18.597   3.5188  853.512   69.731  822.507   83.212 31.00525 108.5665 
1 1 1   27   20   13 o  225.162   47.948   1.3462   0.5164   1.3620   0.5721   1.2766   1.1994  222.847   51.032  227.478   81.190 -4.630676 95.89651 
1 1 1   27   20   15 o  335.896   51.934   3.9329   0.6878   4.3346   0.7479   1.7314   1.7509  407.668   35.684  264.124   97.545 143.5449 103.8674 
1 1 1   27   20   17 o  272.240   47.012   2.5058   0.5465   2.7661   0.5884   0.8725   1.4742  325.545   35.158  218.936   87.203 106.6096 94.02396 
1 1 1   27   20   19 o  211.385   52.115   1.1444   0.7027   1.3588   0.9382   0.8705   1.0606  223.317   71.908  199.453   75.452 23.86407 104.2294 
1 1 1   27   20   21 o  202.772   40.530   1.2981   0.3971   1.4646   0.4218   0.0000   1.1780  236.614   34.677  168.930   73.269 67.68350 81.06055 
1 1 1   27   20   23 o  193.969   48.724   0.7233   0.3810   0.6735   0.3968   1.3108   1.3632  157.580   46.068  230.358   85.872 -72.77827 97.44881 
1 1 1   27   20   25 f  190.379   42.977   0.9972   0.4107   0.9972   0.4107   0.0000   0.0000  190.379   42.977  ?   ?       ?      ? 
1 1 1   27   20   27 o  326.401   46.377   2.6660   0.5679   2.5103   0.6150   3.5676   1.4799  308.241   38.807  344.561   84.247 -36.31979 92.75488 
1 1 1   27   20   29 o  195.094   43.905   1.1085   0.4624   1.2527   0.5101   0.4444   1.0947  212.045   47.920  178.143   73.583 33.90266 87.81094 
1 1 1   27   20   31 o  184.829   40.675   0.8992   0.3518   0.8998   0.3830   0.8956   0.8898  180.195   42.100  189.464   69.610 -9.269638 81.35075 
1 1 1   27   20   33 o  172.149   42.277   0.6659   0.3279   0.6368   0.3474   0.9038   0.9932  151.786   42.717  192.513   72.970 -40.72685 84.55367 
1 1 1   27   20   35 o  245.334   44.892   1.6827   0.4725   1.6610   0.5171   1.7923   1.1617  248.588   40.464  242.079   80.150 6.508911 89.78447 
1 1 1   27   20   37 o  201.500   42.842   1.1986   0.4027   1.2471   0.4345   0.9032   1.0726  211.389   41.462  191.610   74.984 19.77933 85.68350 
1 1 1   27   20   39 o  340.005   71.298   3.5998   1.2065   3.5998   1.2065   0.0000   0.0000  340.005   71.298  ?   ?       ?      ? 
1 1 1   27   20   41 f  476.686   43.613   6.2012   0.8503   5.8269   0.9431   7.8265   1.9652  460.885   39.801  492.487   77.616 -31.60175 87.22545 
1 1 1   27   21    0 o  198.839   97.715   1.5571   1.1900   0.0000   0.0000   1.5571   1.1900  198.839   97.715  198.839   97.715 -0.000000 0.000000 
1 1 1   27   21    2 o  209.996   51.207   1.0534   0.7113   0.3766   1.0694   1.5905   0.9526  179.011   73.196  240.981   71.632 -61.97050 102.4145 
1 1 1   27   21    4 o  727.614   55.478   14.319   2.0695   13.499   2.8012   15.304   3.0708  705.392   77.241  749.835   79.655 -44.44293 110.9554 
1 1 1   27   21    6 o  439.643   46.376   4.4495   0.9459   3.2765   1.1060   7.6425   1.8249  345.167   64.704  534.120   66.456 -188.9531 92.75213 
1 1 1   27   21    8 o  387.654   48.041   3.9573   0.8168   3.8029   0.9431   4.4210   1.6342  380.270   48.240  395.038   83.095 -14.76825 96.08211 
1 1 1   27   21   10 o  348.779   62.794   3.4708   1.1180   3.2688   1.4662   3.7513   1.7280  337.954   84.585  359.604   92.831 -21.64929 125.5876 
1 1 1   27   21   12 o  322.454   47.537   2.2718   0.6515   1.7800   0.7262   4.2981   1.4742  253.919   57.026  390.990   76.073 -137.0712 95.07397 
1 1 1   27   21   14 o  802.705   41.469   15.121   1.2977   14.104   1.4103   20.743   3.3153  734.716   37.335  870.693   74.060 -135.9763 82.93877 
1 1 1   27   21   16 o  359.544   45.599   3.2656   0.6055   3.1321   0.6571   4.0172   1.5589  346.089   36.932  372.999   83.385 -26.90952 91.19774 
1 1 1   27   21   18 o  553.769   40.799   6.7179   0.8597   6.0791   0.9246   10.790   2.3345  481.738   37.332  625.800   72.558 -144.0617 81.59888 
1 1 1   27   21   20 o  248.314   53.259   1.5507   0.6578   1.3327   0.7545   2.2417   1.3433  218.527   63.424  278.102   85.579 -59.57535 106.5188 
1 1 1   27   21   22 o  267.563   43.587   1.8962   0.5996   1.8962   0.5996   0.0000   0.0000  267.563   43.587  ?   ?       ?      ? 
1 1 1   27   21   24 o  221.722   42.301   1.3423   0.4646   1.3423   0.4646   0.0000   0.0000  221.722   42.301  ?   ?       ?      ? 
1 1 1   27   21   26 o  355.734   51.728   3.9035   0.6611   4.0240   0.7148   3.1895   1.7395  391.128   35.546  320.341   97.158 70.78683 103.4561 
1 1 1   27   21   28 o  288.469   45.739   1.6366   0.5583   1.1084   0.6142   4.1479   1.3392  198.585   57.105  378.353   71.466 -179.7674 91.47865 
1 1 1   27   21   30 o  292.169   44.883   2.2331   0.5178   2.1309   0.5663   2.7546   1.2792  283.295   38.878  301.043   80.910 -17.74817 89.76643 
1 1 1   27   21   32 o  510.365   39.611   6.3178   0.8183   5.8117   0.8980   8.7947   1.9867  467.637   37.350  553.092   69.865 -85.45532 79.22231 
1 1 1   27   21   34 o  415.484   51.061   5.0814   0.7605   5.0700   0.8290   5.1415   1.9102  436.030   36.979  394.937   95.192 41.09235 102.1221 
1 1 1   27   21   36 o  345.813   38.144   2.1788   0.5258   1.5215   0.5689   6.0274   1.3767  230.943   49.411  460.683   58.124 -229.7396 76.28800 
1 1 1   27   21   38 o  268.059   72.369   2.2679   1.0206   2.2679   1.0206   0.0000   0.0000  268.059   72.369  ?   ?       ?      ? 
1 1 1   27   21   40 o  273.895   46.522   2.2705   0.5389   2.2520   0.5945   2.3557   1.2762  286.561   40.349  261.230   83.839 25.33075 93.04330 
1 1 1   27   22    1 o  599.758   60.548   10.084   1.7671   7.4289   2.4612   12.909   2.5388  507.835   97.812  691.681   71.392 -183.8459 121.0952 
1 1 1   27   22    3 o  685.551   56.926   12.870   2.0029   13.371   2.7936   12.340   2.8731  700.792   77.537  670.311   83.369 30.48120 113.8529 
1 1 1   27   22    5 o  162.770   43.118   0.5870   0.4208   0.6950   0.4579   0.0000   1.0673  162.250   49.970  163.290   70.282 -1.039856 86.23540 
1 1 1   27   22    7 o  603.561   44.090   8.7797   1.2618   7.4316   1.4787   12.390   2.4199  529.631   54.304  677.492   69.474 -147.8608 88.17928 
1 1 1   27   22    9 o  316.431   50.883   2.6613   0.7003   2.5844   0.7887   2.9477   1.5218  313.028   49.010  319.833   89.188 -6.805389 101.7665 
1 1 1   27   22   11 o  376.342   54.190   4.2091   0.8422   4.4082   0.9485   3.4672   1.8311  409.397   45.064  343.288   98.568 66.10883 108.3806 
1 1 1   27   22   13 o  267.042   49.202   2.1410   0.6242   2.3396   0.6972   1.3388   1.4012  297.978   45.512  236.106   87.248 61.87228 98.40491 
1 1 1   27   22   15 o  660.312   43.808   10.823   1.0752   10.421   1.1621   13.216   2.8334  631.490   35.793  689.133   79.970 -57.64380 87.61509 
1 1 1   27   22   17 o  156.298   38.714   0.6195   0.3147   0.6968   0.3338   0.0000   0.9452  159.783   40.558  152.813   65.955 6.969910 77.42726 
1 1 1   27   22   19 o  256.652   86.484   1.8388   1.3518   0.0000   0.0000   1.8388   1.3518  ?   ?   256.652   86.484      ?      ? 
1 1 1   27   22   21 o  267.534   38.948   1.8848   0.5357   1.8848   0.5357   0.0000   0.0000  267.534   38.948  ?   ?       ?      ? 
1 1 1   27   22   23 o  796.044   40.752   14.411   1.2298   13.216   1.3245   21.887   3.3123  708.997   36.335  883.091   72.956 -174.0935 81.50304 
1 1 1   27   22   25 o  676.794   36.577   9.4807   0.9933   8.0480   1.0765   17.695   2.5775  552.274   37.912  801.313   62.565 -249.0392 73.15500 
1 1 1   27   22   27 o  439.903   47.272   5.0506   0.7416   4.8697   0.8021   6.1169   1.9473  429.677   36.309  450.130   87.293 -20.45364 94.54322 
1 1 1   27   22   29 o  180.688   48.761   0.6852   0.5727   0.5922   0.6692   0.9399   1.1070  161.145   60.149  200.230   76.763 -39.08470 97.52145 
1 1 1   27   22   31 o  704.992   43.571   12.886   1.1879   12.351   1.2976   15.653   2.9526  682.065   37.004  727.919   78.894 -45.85455 87.14122 
1 1 1   27   22   33 o  252.236   44.966   2.1665   0.5133   2.3812   0.5571   0.9569   1.3220  299.115   36.224  205.358   82.314 93.75656 89.93208 
1 1 1   27   22   35 o  545.982   56.912   9.9803   1.0529   10.446   1.1570   7.7351   2.5396  625.260   35.992  466.704  107.984 158.5563 113.8245 
1 1 1   27   22   37 o  195.022   49.790   1.0999   0.5009   1.0999   0.5009   0.0000   0.0000  195.022   49.790  ?   ?       ?      ? 
1 1 1   27   22   39 o  321.153   52.062   3.2147   0.7171   3.1708   0.8024   3.3890   1.5986  337.074   46.302  305.232   93.263 31.84235 104.1245 
1 1 1   27   23    0 o  149.582   84.135   0.8116   0.9819   0.0000   0.0000   0.8116   0.9819  149.582   84.135  149.582   84.135 -0.000000 0.000000 
1 1 1   27   23    2 o  570.367   57.753   8.9463   1.6932   8.7084   2.3812   9.1897   2.4081  562.386   82.355  578.348   80.989 -15.96259 115.5057 
1 1 1   27   23    4 o  205.625   51.014   1.0368   0.6755   0.7676   0.9873   1.2737   0.9261  192.099   72.768  219.152   71.515 -27.05287 102.0277 
1 1 1   27   23    6 o  553.550   46.845   7.4715   1.2459   6.2024   1.4757   10.621   2.3246  481.948   59.556  625.153   72.325 -143.2043 93.68996 
1 1 1   27   23    8 o  214.018   46.937   1.0489   0.4921   0.8723   0.5551   1.6972   1.0634  180.399   54.920  247.637   76.132 -67.23775 93.87351 
1 1 1   27   23   10 o  264.242   58.476   1.9731   0.9097   2.4559   1.1965   1.3115   1.4007  293.417   77.980  235.066   87.159 58.35159 116.9511 
1 1 1   27   23   12 o  202.123   48.834   0.8856   0.4711   0.8058   0.5099   1.3509   1.2314  173.269   52.614  230.978   82.285 -57.70952 97.66805 
1 1 1   27   23   14 o  376.979   45.013   2.9308   0.6081   2.5745   0.6481   5.5516   1.7578  313.118   40.258  440.840   80.523 -127.7214 90.02599 
1 1 1   27   23   16 o  361.261   52.315   3.2651   0.8786   2.5154   1.0373   5.1688   1.6530  297.504   69.131  425.018   78.540 -127.5143 104.6309 
1 1 1   27   23   18 o  254.490   45.362   1.7635   0.5718   1.7635   0.5718   0.0000   0.0000  254.490   45.362  ?   ?       ?      ? 
1 1 1   27   23   20 o  557.441   35.845   8.1546   1.0273   8.1546   1.0273   0.0000   0.0000  557.441   35.845  ?   ?       ?      ? 
1 1 1   27   23   22 o  140.826   37.535   0.3759   0.2677   0.3624   0.2851   0.4760   0.7781  119.766   39.706  161.885   63.709 -42.11965 75.06976 
1 1 1   27   23   24 o  395.947   47.291   4.1710   0.6800   4.0565   0.7387   4.8065   1.7408  392.424   36.613  399.471   87.207 -7.046814 94.58113 
1 1 1   27   23   26 o  313.582   38.891   2.1375   0.4913   1.8001   0.5377   3.8452   1.2096  260.507   40.144  366.658   66.622 -106.1502 77.78216 
1 1 1   27   23   28 o  385.148   47.380   3.5044   0.7821   2.9132   0.8759   5.8308   1.7374  327.239   52.060  443.056   79.179 -115.8173 94.76084 
1 1 1   27   23   30 o  433.348   55.270   6.0517   0.8341   6.2752   0.9086   4.8541   2.1031  486.498   36.326  380.197  104.402 106.3005 110.5408 
1 1 1   27   23   32 o  453.074   46.959   5.3696   0.7780   5.1030   0.8447   6.8615   1.9980  437.406   37.560  468.742   86.081 -31.33624 93.91831 
1 1 1   27   23   34 o  487.737   41.391   5.2552   0.7739   4.6088   0.8321   9.3975   2.1063  414.040   39.088  561.434   72.972 -147.3943 82.78204 
1 1 1   27   23   36 o  378.165   37.864   3.8556   0.7362   3.8556   0.7362   0.0000   0.0000  378.165   37.864  ?   ?       ?      ? 
1 1 1   27   23   38 f  230.745   52.551   1.5337   0.7019   1.0127   0.8735   2.4825   1.1789  188.307   69.003  273.183   79.278 -84.87570 105.1019 
1 1 1   27   23   40 o  200.189   43.862   1.2331   0.4252   1.2719   0.4596   1.0026   1.1199  210.207   43.941  190.172   75.925 20.03584 87.72340 
1 1 1   27   24    1 o  1062.01   55.806   31.011   3.0339   27.500   4.2321   34.722   4.3516  996.902   82.573  1127.12   75.094 -130.2153 111.6128 
1 1 1   27   24    3 o  177.316   44.895   0.6344   0.5649   1.2045   0.7784   0.0000   0.8212  210.916   65.189  143.717   61.748 67.19984 89.79079 
1 1 1   27   24    5 o  351.779   55.573   3.7899   0.9276   4.2677   1.1005   2.6175   1.7240  400.902   53.394  302.655   97.480 98.24731 111.1456 
1 1 1   27   24    7 o  716.998   47.130   12.932   1.6028   11.519   1.8884   16.571   3.0312  657.308   55.879  776.688   75.911 -119.3799 94.26003 
1 1 1   27   24    9 o  233.729   57.701   1.5174   0.6892   1.5174   0.6892   0.0000   0.0000  233.729   57.701  ?   ?       ?      ? 
1 1 1   27   24   11 o  184.350   46.476   0.3374   0.4012   0.1449   0.4265   1.8157   1.1819  113.882   46.356  254.819   80.569 -140.9374 92.95283 
1 1 1   27   24   13 o  544.575   50.848   7.5648   1.3562   6.3065   1.6407   10.279   2.4098  481.032   66.343  608.118   77.076 -127.0855 101.6962 
1 1 1   27   24   15 o  358.381   41.870   3.3857   0.7715   3.3857   0.7715   0.0000   0.0000  358.381   41.870  ?   ?       ?      ? 
1 1 1   27   24   17 o  294.932   36.178   2.2813   0.5486   2.2813   0.5486   0.0000   0.0000  294.932   36.178  ?   ?       ?      ? 
1 1 1   27   24   19 o  302.267   53.673   2.2478   0.8444   1.2077   1.0290   4.3927   1.4777  214.693   75.344  389.840   76.461 -175.1460 107.3455 
1 1 1   27   24   21 f  455.020   50.346   5.2105   0.7683   4.9883   0.8195   6.8232   2.2077  435.441   36.607  474.600   93.802 -39.15945 100.6925 
1 1 1   27   24   23 o  352.534   42.621   2.9088   0.5744   2.6361   0.6242   4.4164   1.4677  315.936   38.427  389.132   76.089 -73.19583 85.24167 
1 1 1   27   24   25 o  354.465   51.900   4.6667   0.7271   5.2211   0.7982   1.9624   1.7628  445.342   34.861  263.588   97.770 181.7536 103.7992 
1 1 1   27   24   27 o  232.054   42.898   1.6676   0.4420   1.7874   0.4797   0.9922   1.1388  260.115   35.867  203.993   77.940 56.12236 85.79641 
1 1 1   27   24   29 o  257.356   87.023   2.0072   1.3687   0.0000   0.0000   2.0072   1.3687  ?   ?   257.356   87.023      ?      ? 
1 1 1   27   24   31 o  137.112   36.863   0.4174   0.2537   0.4537   0.2645   0.0000   0.8964  129.040   37.580  145.184   63.429 -16.14395 73.72596 
1 1 1   27   24   33 o  297.221   49.905   2.2469   0.6104   1.9749   0.6713   3.5448   1.4665  263.353   51.427  331.089   85.540 -67.73544 99.80910 
1 1 1   27   24   35 o  377.280   36.932   3.8264   0.7164   3.8264   0.7164   0.0000   0.0000  377.280   36.932  ?   ?       ?      ? 
1 1 1   27   24   37 o  173.135   41.258   0.7333   0.3309   0.6878   0.3550   1.0344   0.9133  155.573   42.967  190.698   70.447 -35.12527 82.51616 
1 1 1   27   24   39 o  146.724   41.149   0.4501   0.3686   0.4383   0.4013   0.5138   0.9327  130.845   46.933  162.604   67.604 -31.75890 82.29774 
1 1 1   27   25    0 o  599.834   88.341   10.213   2.5510   0.0000   0.0000   10.213   2.5510  599.834   88.341  599.834   88.341 -0.000000 0.000000 
1 1 1   27   25    2 o  553.862   61.057   8.6699   1.6626   6.6471   2.2832   10.953   2.4259  475.903   96.616  631.820   74.681 -155.9171 122.1145 
1 1 1   27   25    4 o  334.359   82.340   3.2244   1.4061   3.2244   1.4061   0.0000   0.0000  334.359   82.340  ?   ?       ?      ? 
1 1 1   27   25    6 o  627.328   55.217   10.504   1.7809   10.504   1.7809   0.0000   0.0000  627.328   55.217  ?   ?       ?      ? 
1 1 1   27   25    8 o  180.544   62.626   0.8120   0.7100   0.8120   0.7100   0.0000   0.0000  180.544   62.626  ?   ?       ?      ? 
1 1 1   27   25   10 o  396.981   54.707   4.0530   1.0654   2.8171   1.3152   6.4125   1.8171  311.700   81.242  482.261   73.289 -170.5616 109.4143 
1 1 1   27   25   12 o  117.462   46.192   0.2212   0.4088   0.2212   0.4088   0.0000   0.0000  117.462   46.192  ?   ?       ?      ? 
1 1 1   27   25   14 f  171.062   38.753   0.7985   0.3329   0.7985   0.3329   0.0000   0.0000  171.062   38.753  ?   ?       ?      ? 
1 1 1   27   25   16 o  485.551   44.974   5.8340   0.8100   5.5743   0.8743   7.4078   2.1523  460.733   36.910  510.370   82.026 -49.63715 89.94775 
1 1 1   27   25   18 o  158.809   40.985   0.4010   0.2692   0.3479   0.2809   0.9975   0.9415  117.913   39.424  199.706   71.865 -81.79272 81.96907 
1 1 1   27   25   20 o  227.300   46.916   0.8747   0.3601   0.7391   0.3747   2.5140   1.3030  163.938   43.668  290.662   83.050 -126.7241 93.83123 
1 1 1   27   25   22 o  311.988   48.879   2.2979   0.5260   2.1497   0.5571   3.5136   1.5956  285.363   37.975  338.613   90.081 -53.25012 97.75847 
1 1 1   27   25   24 o  239.536   45.379   1.3894   0.4208   1.2989   0.4498   2.0239   1.1910  217.720   41.706  261.352   80.608 -43.63179 90.75804 
1 1 1   27   25   26 f  635.365   44.719   10.688   1.0572   10.425   1.1481   12.151   2.7107  628.327   35.541  642.403   82.072 -14.07562 89.43747 
1 1 1   27   25   28 o  274.826   45.272   2.8278   0.6933   3.6169   0.7841   0.0000   1.4844  367.675   41.482  181.976   80.483 185.6985 90.54434 
1 1 1   27   25   30 o  204.751   41.546   1.3662   0.4315   1.5472   0.4592   0.0000   1.2614  241.012   37.058  168.490   74.371 72.52184 83.09203 
1 1 1   27   25   32 o  179.740   44.721   0.5825   0.3913   0.4178   0.4232   1.5539   1.0279  132.441   48.104  227.038   75.404 -94.59692 89.44166 
1 1 1   27   25   34 f  488.790   36.904   6.4193   0.9274   6.4193   0.9274   0.0000   0.0000  488.790   36.904  ?   ?       ?      ? 
1 1 1   27   25   36 o  254.090   46.993   2.0889   0.5031   2.1633   0.5390   1.5860   1.4012  282.855   37.065  225.324   86.368 57.53105 93.98521 
1 1 1   27   25   38 o  183.430   46.851   0.9981   0.6146   1.3819   0.7232   0.0000   1.1661  211.056   62.337  155.804   69.959 55.25174 93.70258 
1 1 1   27   26    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   26    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   26    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   26    7 o  709.761   59.259   13.981   2.1246   10.840   2.8460   17.935   3.1933  616.356   89.812  803.167   77.332 -186.8119 118.5175 
1 1 1   27   26    9 o  765.367   83.902   16.556   3.3015   0.0000   0.0000   16.556   3.3015  ?   ?   765.367   83.902      ?      ? 
1 1 1   27   26   11 o  494.086   49.494   6.5017   1.2573   6.5017   1.2573   0.0000   0.0000  494.086   49.494  ?   ?       ?      ? 
1 1 1   27   26   13 o  354.123   53.186   3.6238   0.8275   3.6881   0.9489   3.4196   1.6908  371.776   49.645  336.470   94.076 35.30646 106.3715 
1 1 1   27   26   15 o  458.801   55.976   6.4003   0.7946   6.5194   0.8462   5.5129   2.3103  499.221   32.970  418.381  106.987 80.84027 111.9516 
1 1 1   27   26   17 o  273.705   47.499   2.3394   0.5303   2.4728   0.5722   1.5267   1.4119  306.731   36.285  240.679   87.795 66.05205 94.99804 
1 1 1   27   26   19 o  410.691   61.956   5.1029   1.2510   5.3883   1.5792   4.6222   2.0495  438.954   69.977  382.428  102.260 56.52643 123.9112 
1 1 1   27   26   21 o  519.471   42.100   6.3010   0.8385   5.8044   0.9064   9.2471   2.2078  468.961   37.593  569.981   75.341 -101.0208 84.19946 
1 1 1   27   26   23 o  233.589   49.159   1.2196   0.4165   1.1388   0.4358   2.0682   1.4118  203.158   43.065  264.021   88.385 -60.86272 98.31866 
1 1 1   27   26   25 o  315.940   48.082   3.0104   0.5843   3.0875   0.6379   2.6092   1.4554  341.702   36.314  290.179   89.045 51.52289 96.16491 
1 1 1   27   26   27 o  172.109   40.401   0.8478   0.3621   0.9554   0.3844   0.0000   1.0792  185.651   41.336  158.568   69.428 27.08319 80.80128 
1 1 1   27   26   29 o  274.924   57.772   2.3890   0.8670   2.5361   1.0745   2.1144   1.4680  289.543   72.376  260.305   90.068 29.23889 115.5448 
1 1 1   27   26   31 o  175.850   44.697   0.6866   0.3917   0.6248   0.4221   1.0705   1.0518  151.168   48.184  200.532   75.296 -49.36363 89.39332 
1 1 1   27   26   33 o  236.834   38.151   1.5111   0.4645   1.5111   0.4645   0.0000   0.0000  236.834   38.151  ?   ?       ?      ? 
1 1 1   27   26   35 o  307.222   51.290   3.3745   0.6495   3.5803   0.7024   2.1632   1.7044  363.737   37.562  250.707   95.456 113.0302 102.5802 
1 1 1   27   26   37 o  263.753   49.892   2.1717   0.5492   2.1695   0.5887   2.1864   1.5251  280.676   40.798  246.830   91.063 33.84528 99.78484 
1 1 1   27   27    0 o  345.669  106.210   4.0107   1.6506   4.0107   1.6506   0.0000   0.0000  345.669  106.210  345.669  106.210 0.000000 0.000000 
1 1 1   27   27    2 o  736.325   59.032   15.283   2.1768   11.322   2.9923   19.736   3.1726  627.182   92.799  845.468   72.988 -218.2853 118.0630 
1 1 1   27   27    4 o  445.311   61.929   5.7513   1.3649   5.0720   1.8579   6.5477   2.0118  414.997   89.696  475.626   85.413 -60.62897 123.8575 
1 1 1   27   27    6 o  413.839   56.693   4.7564   1.0678   4.5898   1.2567   5.1891   2.0253  412.260   59.292  415.417   96.647 -3.157227 113.3857 
1 1 1   27   27    8 o  492.321   48.407   6.0089   1.1313   5.0726   1.3272   8.4965   2.1634  432.981   59.622  551.661   76.276 -118.6805 96.81306 
1 1 1   27   27   10 o  402.646   40.723   4.3579   0.8332   4.2409   1.0923   4.5206   1.2884  397.571   53.439  407.721   61.465 -10.15012 81.44698 
1 1 1   27   27   12 o  742.418   46.036   13.960   1.5437   12.780   1.7693   17.723   3.1594  691.577   49.762  793.259   77.467 -101.6821 92.07265 
1 1 1   27   27   14 o  724.848   42.024   12.403   1.0838   11.730   1.1573   17.205   3.0907  669.227   33.635  780.468   77.025 -111.2415 84.04860 
1 1 1   27   27   16 f  377.540   54.987   4.6567   0.8695   5.0944   0.9848   3.1096   1.8516  437.939   43.739  317.141  100.903 120.7975 109.9750 
1 1 1   27   27   18 o  530.412   61.785   8.5131   1.5677   9.2885   2.0199   7.3386   2.4860  577.226   68.065  483.599  103.135 93.62686 123.5704 
1 1 1   27   27   20 o  366.124   43.666   3.1391   0.5848   2.8801   0.6298   4.7597   1.5755  330.395   37.076  401.853   79.071 -71.45871 87.33238 
1 1 1   27   27   22 o  253.366   52.140   1.6941   0.5748   1.6188   0.6241   2.1155   1.4761  240.246   52.033  266.486   90.371 -26.24078 104.2805 
1 1 1   27   27   24 f  205.935   41.254   1.3737   0.4351   1.5747   0.4659   0.0000   1.2181  243.826   37.165  168.044   73.663 75.78226 82.50776 
1 1 1   27   27   26 o  259.185   46.591   2.0325   0.5059   2.1043   0.5477   1.6149   1.3209  281.311   37.869  237.059   85.139 44.25180 93.18136 
1 1 1   27   27   28 o  285.133   58.046   2.6015   0.9026   2.8787   1.1499   2.1566   1.4568  308.057   73.607  262.209   89.773 45.84848 116.0915 
1 1 1   27   27   30 o  114.426   42.062   0.2948   0.3250   0.2948   0.3250   0.0000   0.0000  114.426   42.062  ?   ?       ?      ? 
1 1 1   27   27   32 o  321.588   39.560   2.7953   0.6541   2.7953   0.6541   0.0000   0.0000  321.588   39.560  ?   ?       ?      ? 
1 1 1   27   27   34 o  424.287   49.935   4.8363   0.7684   4.5283   0.8317   6.6333   2.0087  407.977   39.652  440.598   91.661 -32.62128 99.87014 
1 1 1   27   27   36 o  208.261   43.743   1.4066   0.4438   1.5120   0.4706   0.5589   1.3348  235.090   38.938  181.432   78.342 53.65765 87.48518 
1 1 1   27   28    1 o  242.185   57.525   1.6140   0.8501   1.8020   1.1584   1.3945   1.2513  252.371   79.761  231.999   82.914 20.37244 115.0504 
1 1 1   27   28    3 o  538.192   58.103   8.1976   1.6066   7.8606   2.2666   8.5378   2.2777  526.086   83.803  550.299   80.506 -24.21234 116.2067 
1 1 1   27   28    5 o  237.639   47.519   1.3333   0.7252   0.0000   0.9870   2.8971   1.0689  155.482   67.252  319.797   67.152 -164.3146 95.03767 
1 1 1   27   28    7 o  358.500   54.734   3.7739   0.9180   3.9338   1.0928   3.3904   1.6922  382.131   55.621  334.870   94.285 47.26138 109.4687 
1 1 1   27   28    9 o  413.460   49.205   4.0847   0.9400   3.1492   1.0908   6.7846   1.8530  333.765   65.903  493.155   73.085 -159.3894 98.41061 
1 1 1   27   28   11 o  345.058   43.392   3.1777   0.7415   2.7128   0.9432   3.9301   1.1999  310.779   61.207  379.338   61.524 -68.55948 86.78423 
1 1 1   27   28   13 o  267.528   43.418   1.3939   0.3906   1.2201   0.4105   3.0608   1.2714  211.982   39.104  323.075   77.533 -111.0928 86.83604 
1 1 1   27   28   15 o  383.532   45.327   3.3914   0.5898   3.1527   0.6268   5.2368   1.7431  346.404   35.196  420.660   83.542 -74.25659 90.65343 
1 1 1   27   28   17 o  196.761   42.889   1.1191   0.4093   1.2117   0.4404   0.5341   1.1073  210.194   42.223  183.327   74.667 26.86708 85.77818 
1 1 1   27   28   19 o  244.132   40.505   0.9125   0.3665   0.6295   0.3882   3.2387   1.1130  152.358   45.828  335.905   66.802 -183.5469 81.01086 
1 1 1   27   28   21 o  161.321   39.218   0.7006   0.3331   0.7907   0.3539   0.0000   0.9868  169.183   41.091  153.459   66.810 15.72437 78.43527 
1 1 1   27   28   23 o  310.232   51.634   3.3201   0.7546   3.7789   0.8510   1.6337   1.6317  375.353   44.099  245.111   93.379 130.2420 103.2683 
1 1 1   27   28   25 o  223.525   43.635   1.4622   0.4300   1.5208   0.4633   1.0981   1.1548  239.139   37.686  207.912   78.714 31.22704 87.27036 
1 1 1   27   28   27 o  325.915   52.177   3.7209   0.6612   3.9656   0.7131   2.2217   1.7653  386.169   35.917  265.661   97.978 120.5083 104.3534 
1 1 1   27   28   29 f  194.015   49.873   1.0763   0.5002   1.0763   0.5002   0.0000   0.0000  194.015   49.873  ?   ?       ?      ? 
1 1 1   27   28   31 o  267.419   49.574   1.8306   0.5070   1.6912   0.5417   2.8169   1.4409  245.465   44.564  289.372   88.567 -43.90703 99.14716 
1 1 1   27   28   33 o  306.168   49.554   2.2541   0.5428   2.0277   0.5769   3.9977   1.6010  272.431   41.191  339.905   90.142 -67.47339 99.10714 
1 1 1   27   28   35 o  134.783   41.488   0.2365   0.3308   0.2558   0.3440   0.0000   1.2052  111.193   42.751  158.372   71.115 -47.17926 82.97588 
1 1 1   27   29    0 o   89.690   58.048   0.0000   0.6306   0.0000   0.0000   0.0000   0.6306   89.690   58.048   89.690   58.048 -0.000000 0.000000 
1 1 1   27   29    2 o  536.432   58.377   8.2027   1.6072   7.7516   2.2832   8.6459   2.2629  519.963   85.410  552.903   79.605 -32.94006 116.7550 
1 1 1   27   29    4 o  807.327   57.890   18.598   2.3935   19.478   3.3082   17.631   3.4673  831.604   77.376  783.050   86.127 48.55347 115.7796 
1 1 1   27   29    6 o  521.877   48.551   7.0848   1.2247   6.2825   1.4671   8.9290   2.2243  480.793   59.352  562.961   76.851 -82.16830 97.10145 
1 1 1   27   29    8 o  228.655   56.400   1.2802   0.8105   0.8363   1.0337   1.9888   1.3060  194.812   74.299  262.498   84.873 -67.68674 112.7995 
1 1 1   27   29   10 o  272.706   55.554   2.0200   0.7313   1.8765   0.8358   2.4888   1.5108  256.639   63.653  288.773   91.067 -32.13409 111.1080 
1 1 1   27   29   12 o  246.954   46.709   1.2084   0.3738   1.0957   0.3890   2.5703   1.3519  200.544   39.130  293.365   84.828 -92.82094 93.41774 
1 1 1   27   29   14 o  195.165   40.038   1.1818   0.3608   1.3039   0.3790   0.0000   1.1790  223.001   33.060  167.329   72.933 55.67273 80.07640 
1 1 1   27   29   16 o  564.081   40.364   6.7252   0.8250   6.0415   0.8777   11.912   2.4174  479.040   35.639  649.122   72.436 -170.0825 80.72815 
1 1 1   27   29   18 o  795.838   69.822   20.878   2.4410   26.059   3.1593   13.203   3.8451  968.688   63.436  622.988  124.404 345.6998 139.6440 
1 1 1   27   29   20 o  275.053   48.374   2.3619   0.5387   2.4702   0.5791   1.6672   1.4673  305.622   36.855  244.483   89.454 61.13925 96.74822 
1 1 1   27   29   22 o  339.918   37.012   2.1943   0.5021   1.7300   0.5414   5.0486   1.3422  254.515   41.373  425.321   61.382 -170.8060 74.02316 
1 1 1   27   29   24 o  269.789   47.997   2.2708   0.5230   2.3593   0.5610   1.6825   1.4461  298.060   36.611  241.518   88.739 56.54094 95.99468 
1 1 1   27   29   26 o  220.823   42.743   1.6617   0.5200   1.9810   0.5678   0.0000   1.2952  271.597   40.664  170.049   75.195 101.5475 85.48635 
1 1 1   27   29   28 o  147.562   60.524   0.3308   0.7340   0.3308   0.7340   0.0000   0.0000  147.562   60.524  ?   ?       ?      ? 
1 1 1   27   29   30 o  195.458   42.659   1.1826   0.4339   1.3015   0.4744   0.5743   1.0731  214.696   44.444  176.221   72.828 38.47481 85.31780 
1 1 1   27   29   32 o  164.378   45.312   0.7720   0.3953   0.7720   0.3953   0.0000   0.0000  164.378   45.312  ?   ?       ?      ? 
1 1 1   27   29   34 o  227.293   47.852   1.6185   0.4866   1.6673   0.5129   1.1800   1.5376  246.327   40.502  208.259   86.711 38.06815 95.70409 
1 1 1   27   30    1 o  270.580   60.311   2.1168   0.9327   2.3562   1.4074   1.9293   1.2454  282.391   87.716  258.769   82.798 23.62250 120.6216 
1 1 1   27   30    3 o  1096.27   60.341   34.905   3.3096   43.891   4.7316   26.297   4.6309  1250.97   73.568  941.558   95.664 309.4127 120.6813 
1 1 1   27   30    5 o  317.056   59.402   2.9513   1.0587   4.4823   1.5219   1.5158   1.4737  392.378   78.189  241.734   89.449 150.6435 118.8050 
1 1 1   27   30    7 o  428.798   63.630   5.7262   1.4127   8.2343   1.9674   3.0568   2.0297  543.093   70.460  314.503  105.974 228.5893 127.2598 
1 1 1   27   30    9 o  511.211   55.868   7.6613   1.2820   7.8865   1.5364   7.1453   2.3260  539.417   55.400  483.005   97.036 56.41226 111.7368 
1 1 1   27   30   11 f  227.152   36.134   1.0125   0.3332   0.7645   0.3632   2.3296   0.8370  166.603   42.324  287.700   58.579 -121.0968 72.26888 
1 1 1   27   30   13 o  805.787   39.089   13.609   1.1739   12.069   1.2543   24.481   3.3335  677.001   36.037  934.573   69.377 -257.5717 78.17817 
1 1 1   27   30   15 o  300.392   47.284   2.1070   0.4854   1.9689   0.5132   3.2789   1.4951  273.220   36.533  327.565   87.226 -54.34503 94.56715 
1 1 1   27   30   17 o  231.883   50.522   1.5039   0.7843   2.5142   1.0141   0.0000   1.2372  293.847   68.405  169.920   74.369 123.9275 101.0447 
1 1 1   27   30   19 o  367.371   55.740   4.3608   0.7411   4.5149   0.7983   3.3992   1.9945  412.796   37.613  321.947  104.942 90.84882 111.4793 
1 1 1   27   30   21 o  304.782   51.885   2.6438   0.6833   2.5920   0.7604   2.8608   1.5572  309.424   47.800  300.139   92.106 9.284485 103.7702 
1 1 1   27   30   23 o  358.020   54.364   4.4570   0.7166   4.7173   0.7730   2.8656   1.9111  421.676   35.657  294.364  102.714 127.3122 108.7273 
1 1 1   27   30   25 o  184.508   49.492   0.9664   0.4792   0.9664   0.4792   0.0000   0.0000  184.508   49.492  ?   ?       ?      ? 
1 1 1   27   30   27 o  268.005   53.943   2.0643   0.7175   2.0643   0.7175   0.0000   0.0000  268.005   53.943  ?   ?       ?      ? 
1 1 1   27   30   29 o  206.802   44.209   1.3527   0.4421   1.4589   0.4717   0.5848   1.2686  228.689   41.654  184.914   77.991 43.77467 88.41733 
1 1 1   27   30   31 o  261.606   49.684   1.9281   0.5087   1.8702   0.5409   2.3708   1.4959  261.967   40.164  261.244   90.889 0.7236938 99.36817 
1 1 1   27   30   33 o  321.911   43.293   1.7146   0.5066   1.2236   0.5348   6.0070   1.5813  203.521   51.166  440.301   69.853 -236.7790 86.58699 
1 1 1   27   31    0 o   93.242   60.421   0.0000   0.6860   0.0000   0.6860   0.0000   0.0000   93.242   60.421   93.242   60.421 0.000000 0.000000 
1 1 1   27   31    2 o  830.840   60.646   19.978   2.5730   17.173   3.5447   23.103   3.7409  764.302   90.208  897.379   81.083 -133.0776 121.2928 
1 1 1   27   31    4 o  368.317   64.291   4.1332   1.2101   4.1683   1.7105   4.0981   1.7122  370.080   90.624  366.554   91.218 3.526825 128.5829 
1 1 1   27   31    6 o  984.128   58.173   27.898   2.9391   27.228   4.0337   28.656   4.2914  973.739   80.573  994.516   83.931 -20.77637 116.3459 
1 1 1   27   31    8 o  387.654   54.852   4.1382   0.9968   3.6491   1.1992   5.2311   1.7926  357.358   67.752  417.949   86.283 -60.59036 109.7045 
1 1 1   27   31   10 o  411.009   34.977   2.5546   0.5205   1.8996   0.5490   8.3845   1.6378  267.865   39.862  554.152   57.485 -286.2870 69.95396 
1 1 1   27   31   12 o  179.789   38.878   0.7746   0.3130   0.7214   0.3409   1.0601   0.7896  161.838   40.944  197.739   66.102 -35.90056 77.75529 
1 1 1   27   31   14 o  212.751   48.193   1.0323   0.4357   0.9477   0.4645   1.6524   1.2572  184.348   48.393  241.154   83.357 -56.80602 96.38595 
1 1 1   27   31   16 o  130.077   37.891   0.2698   0.2400   0.2875   0.2477   0.0000   0.9665  108.262   37.021  151.893   66.123 -43.63089 75.78173 
1 1 1   27   31   18 o  313.553   50.552   2.4967   0.5907   2.3500   0.6341   3.4596   1.6248  296.681   41.570  330.424   92.163 -33.74265 101.1040 
1 1 1   27   31   20 o  311.875   49.983   2.7756   0.5823   2.7531   0.6270   2.9167   1.5715  321.781   37.898  301.970   92.503 19.81119 99.96561 
1 1 1   27   31   22 o  289.154   54.674   2.0409   0.7712   1.3375   0.8919   4.1240   1.5350  214.860   70.184  363.448   83.853 -148.5887 109.3483 
1 1 1   27   31   24 o  331.232   45.817   2.9864   0.7802   2.9864   0.7802   0.0000   0.0000  331.232   45.817  ?   ?       ?      ? 
1 1 1   27   31   26 o  320.381   46.884   2.4049   0.5600   2.1309   0.6020   4.1667   1.5264  280.512   41.739  360.250   83.966 -79.73782 93.76773 
1 1 1   27   31   28 o  588.169   58.312   10.928   1.6889   10.984   2.1334   10.833   2.7645  607.480   68.306  568.857   94.526 38.62299 116.6231 
1 1 1   27   31   30 o  210.645   45.901   1.2849   0.4237   1.2946   0.4494   1.2070   1.2718  214.168   42.313  207.122   81.469 7.045441 91.80222 
1 1 1   27   31   32 o  175.318   42.754   0.8636   0.3804   0.8983   0.4057   0.6118   1.0937  176.349   44.694  174.288   72.897 2.061081 85.50736 
1 1 1   27   32    1 o  320.420   50.515   2.7314   0.7181   2.4844   0.8220   3.5267   1.4750  298.367   55.636  342.473   84.332 -44.10544 101.0303 
1 1 1   27   32    3 o  296.885   47.949   1.9391   0.6438   1.3090   0.7299   4.1485   1.3667  215.126   62.365  378.645   72.849 -163.5184 95.89818 
1 1 1   27   32    5 o  173.711   44.512   0.7187   0.4242   0.7538   0.4617   0.5285   1.0754  166.171   49.975  181.252   73.674 -15.08124 89.02449 
1 1 1   27   32    7 o  135.011   36.101   0.3982   0.2520   0.4387   0.2645   0.0000   0.8294  127.788   37.689  142.235   61.585 -14.44692 72.20206 
1 1 1   27   32    9 o  310.534   52.060   3.3286   0.6970   3.6549   0.7604   1.6112   1.7444  371.360   39.826  249.709   96.202 121.6511 104.1200 
1 1 1   27   32   11 o  457.200   35.904   5.2526   0.7980   4.5074   0.9582   6.9391   1.4414  410.302   45.423  504.098   55.615 -93.79688 71.80708 
1 1 1   27   32   13 o  640.505   48.419   11.102   1.0743   10.934   1.1529   12.208   2.9591  644.078   34.817  636.932   90.363 7.146912 96.83897 
1 1 1   27   32   15 o  245.661   46.070   1.1730   0.4286   0.9497   0.4563   2.8485   1.2500  184.260   47.770  307.062   78.790 -122.8024 92.14026 
1 1 1   27   32   17 o  312.975   56.006   3.1203   0.8778   3.4114   1.0276   2.3348   1.6880  351.379   56.885  274.572   96.493 76.80746 112.0122 
1 1 1   27   32   19 o  151.306   41.636   0.4829   0.3016   0.5163   0.3118   0.0000   1.1865  137.721   40.995  164.892   72.482 -27.17043 83.27178 
1 1 1   27   32   21 o  442.348   44.725   5.2970   1.0172   5.2970   1.0172   0.0000   0.0000  442.348   44.725  ?   ?       ?      ? 
1 1 1   27   32   23 o  154.436   41.847   0.6656   0.3405   0.6656   0.3405   0.0000   0.0000  154.436   41.847  ?   ?       ?      ? 
1 1 1   27   32   25 o  179.668   45.049   0.8448   0.4138   0.8771   0.4411   0.6077   1.1942  175.532   47.654  183.804   76.465 -8.272369 90.09882 
1 1 1   27   32   27 o  308.323   61.960   3.1159   1.0028   2.7839   1.2636   3.6806   1.6480  291.696   81.248  324.949   93.569 -33.25366 123.9206 
1 1 1   27   32   29 o  293.560   51.565   2.8040   0.5981   2.8509   0.6402   2.4832   1.6759  324.011   38.434  263.109   95.701 60.90155 103.1306 
1 1 1   27   32   31 o  169.857   43.754   0.5869   0.3171   0.5257   0.3315   1.2457   1.0876  137.145   42.564  202.569   76.460 -65.42395 87.50883 
1 1 1   27   33    0 o  508.964   56.704   7.2667   1.2862   8.1426   2.2711   6.8531   1.5607  522.438   93.457  495.490   64.243 0.000000 0.000000 
1 1 1   27   33    2 o  403.798   34.805   4.3887   0.7223   4.4278   1.0362   4.3517   1.0075  405.363   49.719  402.233   48.719 3.129578 69.60983 
1 1 1   27   33    4 o  741.696   46.979   14.311   1.5568   13.281   1.7797   17.665   3.2126  702.176   49.299  781.215   79.985 -79.03894 93.95746 
1 1 1   27   33    6 o  347.169   35.418   3.2566   0.6292   2.8792   0.8814   3.6490   0.8986  325.771   52.623  368.568   47.420 -42.79663 70.83694 
1 1 1   27   33    8 o  460.832   42.025   4.6078   0.7933   3.9157   0.8655   8.2464   1.9844  382.804   43.975  538.860   71.628 -156.0559 84.04919 
1 1 1   27   33   10 f  225.096   44.267   1.6808   0.5255   1.9577   0.5671   0.0000   1.3971  271.292   40.658  178.900   78.645 92.39140 88.53349 
1 1 1   27   33   12 o  413.901   38.981   3.9891   0.7419   2.5978   0.8767   7.5006   1.3927  302.638   58.459  525.165   51.581 -222.5277 77.96194 
1 1 1   27   33   14 o  341.591   53.729   3.7385   0.7824   3.9609   0.8767   2.8694   1.7335  384.001   44.409  299.181   97.853 84.82065 107.4583 
1 1 1   27   33   16 o  299.478   56.984   2.8525   0.8394   3.0119   0.9646   2.3555   1.7034  324.541   60.021  274.414   96.883 50.12692 113.9685 
1 1 1   27   33   18 o  393.679   55.893   3.9671   0.9704   3.1711   1.1059   6.6302   2.0228  327.902   67.840  459.456   88.846 -131.5540 111.7851 
1 1 1   27   33   20 o  231.961   50.656   1.5293   0.5872   1.5293   0.5872   0.0000   0.0000  231.961   50.656  ?   ?       ?      ? 
1 1 1   27   33   22 o  277.558   49.499   2.1619   0.5278   2.1177   0.5641   2.4733   1.4960  280.753   39.078  274.364   90.958 6.388550 98.99738 
1 1 1   27   33   24 f  347.869   54.217   3.7379   0.6887   3.7361   0.7406   3.7494   1.8726  372.394   38.683  323.344  101.300 49.05045 108.4344 
1 1 1   27   33   26 o  144.355   40.212   0.4582   0.3542   0.5235   0.3786   0.0000   1.0029  139.151   45.742  149.560   66.149 -10.40941 80.42384 
1 1 1   27   33   28 o  475.883   57.407   7.0502   0.9250   6.9612   0.9987   7.5880   2.4546  506.099   38.380  445.668  108.210 60.43036 114.8146 
1 1 1   27   33   30 o  338.832   55.422   3.7738   0.6903   3.7640   0.7381   3.8428   1.9496  370.771   38.723  306.893  103.860 63.87866 110.8435 
1 1 1   27   34    1 o  264.771   37.873   1.9846   0.5047   2.5969   0.7093   1.3566   0.7184  311.591   44.279  217.950   61.456 93.64088 75.74593 
1 1 1   27   34    3 o  293.391   51.792   2.9771   0.7677   3.4664   0.8612   1.0833   1.6943  359.178   46.636  227.604   92.491 131.5746 103.5833 
1 1 1   27   34    5 o  433.178   35.476   5.0905   0.7749   3.9158   1.0715   6.3789   1.1221  378.392   55.078  487.965   44.729 -109.5733 70.95242 
1 1 1   27   34    7 o  136.278   33.212   0.4660   0.2809   0.5108   0.3636   0.3996   0.4425  139.160   44.762  133.396   49.075 5.763931 66.42345 
1 1 1   27   34    9 o  624.304   31.661   10.196   1.0025   8.8314   1.2952   12.235   1.5831  574.061   43.885  674.546   45.650 -100.4852 63.32282 
1 1 1   27   34   11 o  158.502   34.826   0.7034   0.3244   0.8796   0.4055   0.3906   0.5404  177.632   44.497  139.372   53.585 38.26025 69.65173 
1 1 1   27   34   13 o  188.622   48.190   0.8231   0.5071   0.7404   0.5665   1.1565   1.1374  166.672   55.988  210.572   78.450 -43.89946 96.38013 
1 1 1   27   34   15 o  342.505   56.625   3.7850   0.9312   4.1004   1.0961   2.9667   1.7654  384.842   55.399  300.169   98.776 84.67236 113.2506 
1 1 1   27   34   17 f  173.090   57.620   0.8186   0.6001   0.8186   0.6001   0.0000   0.0000  173.090   57.620  ?   ?       ?      ? 
1 1 1   27   34   19 o  180.938   53.005   0.9313   0.5248   0.9313   0.5248   0.0000   0.0000  180.938   53.005  ?   ?       ?      ? 
1 1 1   27   34   21 o  137.277   40.913   0.2347   0.4339   0.2991   0.4899   0.0000   0.9348  127.936   50.487  146.618   64.395 -18.68227 81.82692 
1 1 1   27   34   23 o  242.663   45.242   2.1061   0.6569   2.6693   0.7395   0.0000   1.4300  311.458   46.182  173.868   77.811 137.5901 90.48438 
1 1 1   27   34   25 o  222.024   44.391   1.6317   0.4801   1.7785   0.5144   0.6388   1.3376  256.084   39.072  187.964   79.723 68.12048 88.78265 
1 1 1   27   34   27 o  176.758   45.858   0.7001   0.4345   0.5819   0.4761   1.2897   1.0632  147.211   51.274  206.306   76.046 -59.09497 91.71674 
1 1 1   27   34   29 o  175.392   44.853   0.6799   0.3640   0.6033   0.3857   1.3039   1.1009  145.989   46.011  204.795   77.007 -58.80602 89.70540 
1 1 1   27   35    0 o  153.247   56.087   0.6620   0.4849   0.4241   0.5433   1.5936   1.0752  108.979   62.066  197.516   93.439 -0.000000 0.000000 
1 1 1   27   35    2 o  392.874   48.061   3.7893   0.8553   3.1141   0.9784   5.9772   1.7613  331.280   59.641  454.467   75.382 -123.1868 96.12197 
1 1 1   27   35    4 o  265.727   38.187   1.9908   0.5036   1.9622   0.6974   2.0218   0.7279  263.999   53.217  267.454   54.780 -3.454742 76.37344 
1 1 1   27   35    6 o  130.781   33.344   0.4027   0.2862   0.4640   0.3680   0.3089   0.4555  134.470   45.124  127.092   49.104 7.377983 66.68880 
1 1 1   27   35    8 o  180.935   38.252   0.9247   0.3810   0.9966   0.4853   0.8093   0.6149  188.176   49.501  173.694   58.331 14.48193 76.50408 
1 1 1   27   35   10 o  258.558   42.251   1.8836   0.5471   1.5748   0.7162   2.3163   0.8478  233.421   59.502  283.696   60.001 -50.27557 84.50156 
1 1 1   27   35   12 o  206.954   46.251   0.9783   0.5299   1.9901   0.9867   0.5682   0.6281  257.496   71.822  156.413   58.294 101.0826 92.50153 
1 1 1   27   35   14 o  173.102   56.760   0.8230   0.5832   0.8230   0.5832   0.0000   0.0000  173.102   56.760  ?   ?       ?      ? 
1 1 1   27   35   16 o  193.539   53.209   1.0729   0.5459   1.0729   0.5459   0.0000   0.0000  193.539   53.209  ?   ?       ?      ? 
1 1 1   27   35   18 o  221.204   48.334   1.5661   0.5759   1.7559   0.6315   0.6282   1.4036  248.124   51.202  194.283   81.994 53.84093 96.66759 
1 1 1   27   35   20 o  237.562   54.104   1.6407   0.6616   1.5658   0.7449   1.9208   1.4398  229.163   61.805  245.960   88.821 -16.79738 108.2080 
1 1 1   27   35   22 o  190.421   47.332   1.0835   0.5749   1.3273   0.6363   0.0000   1.3411  211.909   57.111  168.934   75.496 42.97499 94.66454 
1 1 1   27   35   24 o  283.675   51.422   2.9176   0.7907   3.4310   0.9083   1.3112   1.6068  349.119   50.605  218.230   89.533 130.8889 102.8445 
1 1 1   27   35   26 o  275.236   50.706   2.7692   0.9412   4.0447   1.1375   0.0000   1.6760  370.645   59.690  179.828   81.984 190.8172 101.4115 
1 1 1   27   35   28 o  156.070   40.180   0.6720   0.3446   0.7461   0.3631   0.0000   1.0938  160.857   43.053  151.283   67.853 9.573380 80.35941 
1 1 1   27   36    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   36    3 o  210.120   41.280   1.2384   0.4834   0.7506   0.6684   1.7734   0.7000  171.099   60.657  249.140   56.008 -78.04103 82.56039 
1 1 1   27   36    5 o  416.762   45.353   4.9598   0.9312   3.8955   1.2884   6.1236   1.3473  362.844   71.608  470.680   55.675 -107.8356 90.70510 
1 1 1   27   36    7 o  381.686   45.736   4.2399   0.8581   5.0949   1.1978   3.3386   1.2299  429.795   54.209  333.576   73.678 96.21967 91.47164 
1 1 1   27   36    9 o  202.943   36.575   1.2013   0.4129   1.7456   0.5627   0.5667   0.6076  250.788   45.310  155.098   57.427 95.68938 73.14931 
1 1 1   27   36   11 o  184.402   38.883   0.9491   0.4499   0.2267   0.6851   1.4969   0.5966  139.551   57.973  229.252   51.832 -89.70102 77.76518 
1 1 1   27   36   13 o  171.263   41.082   0.7570   0.3878   0.7306   0.4441   0.8420   0.7955  162.004   49.082  180.522   65.894 -18.51743 82.16482 
1 1 1   27   36   15 o  316.235   41.444   3.0087   0.6328   2.1889   0.9756   3.6040   0.8314  268.347   69.986  364.124   44.412 -95.77713 82.88864 
1 1 1   27   36   17 o  174.976   36.811   0.8780   0.3704   1.1381   0.4990   0.5588   0.5528  199.442   49.016  150.511   54.932 48.93109 73.62142 
1 1 1   27   36   19 o  415.034   59.946   5.7121   0.9780   5.8314   1.0835   5.1874   2.2722  460.691   45.744  369.378  110.822 91.31247 119.8914 
1 1 1   27   36   21 o  258.430   53.606   1.9660   0.6976   1.7136   0.8183   2.6373   1.3344  236.636   65.182  280.223   85.121 -43.58687 107.2116 
1 1 1   27   36   23 o  145.692   42.731   0.2809   0.4045   0.2063   0.4418   0.6675   1.0060  116.389   47.256  174.995   71.208 -58.60519 85.46196 
1 1 1   27   36   25 o  403.459   64.189   4.9090   1.2320   3.3799   1.4552   8.7782   2.3148  308.899   87.596  498.018   93.849 -189.1194 128.3775 
1 1 1   27   37    0 o  123.007   62.485   0.6005   0.4945   0.6005   0.4945   0.0000   0.0000  123.007   62.485  123.007   62.485 -0.000000 0.000000 
1 1 1   27   37    2 f  192.009   58.680   1.0485   0.6328   0.0000   0.0000   1.0485   0.6328  ?   ?   192.009   58.680      ?      ? 
1 1 1   27   37    4 o  290.516   55.949   2.4077   0.8054   0.0000   0.0000   2.4077   0.8054  ?   ?   290.516   55.949      ?      ? 
1 1 1   27   37    6 o  241.193   45.808   1.1853   0.5345   3.1024   1.1468   0.6532   0.6042  321.562   71.244  160.824   57.601 160.7386 91.61654 
1 1 1   27   37    8 o  276.347   44.037   2.1340   0.6020   2.8582   0.9764   1.6899   0.7646  312.815   62.891  239.879   61.657 72.93597 88.07359 
1 1 1   27   37   10 o  163.838   40.068   0.7142   0.4111   0.6080   0.6358   0.7904   0.5388  158.696   58.747  168.981   54.502 -10.28516 80.13545 
1 1 1   27   37   12 o  312.362   37.327   2.6880   0.5757   2.0406   0.7626   3.5462   0.8779  264.965   57.621  359.759   47.466 -94.79449 74.65372 
1 1 1   27   37   14 o  305.752   41.881   2.8091   0.6249   2.1718   0.9711   3.2596   0.8164  266.424   69.988  345.080   46.018 -78.65628 83.76165 
1 1 1   27   37   16 o  192.902   34.214   1.0710   0.3947   1.7094   0.5329   0.2947   0.5876  251.052   41.283  134.751   54.571 116.3018 68.42716 
1 1 1   27   37   18 o  365.980   39.656   3.8032   0.7450   4.0594   1.0903   3.5788   1.0203  377.436   56.188  354.524   55.975 22.91223 79.31151 
1 1 1   27   37   20 o  197.074   37.967   1.1499   0.4089   1.4880   0.5675   0.7851   0.5895  226.641   50.043  167.507   57.110 59.13344 75.93330 
1 1 1   27   37   22 o  239.501   46.273   2.0649   0.6986   2.6708   0.7946   0.0000   1.4667  307.200   50.308  171.803   77.679 135.3970 92.54646 
1 1 1   27   37   24 o  302.160   52.725   3.6175   0.8593   4.2217   0.9681   1.3748   1.8653  385.719   48.818  218.601   93.469 167.1184 105.4497 
1 1 1   27   38    1 o  221.491   39.331   1.4057   0.4596   0.9538   0.6336   1.9074   0.6676  183.945   59.081  259.037   51.934 -75.09267 78.66238 
1 1 1   27   38    3 o  195.278   38.937   1.0684   0.4171   1.4478   0.6174   0.7500   0.5656  224.174   54.174  166.382   55.941 57.79265 77.87357 
1 1 1   27   38    5 o  140.876   49.643   0.4989   0.4470   0.0000   0.0000   0.4989   0.4470  ?   ?   140.876   49.643      ?      ? 
1 1 1   27   38    7 o  330.938   42.396   3.1563   0.6978   3.0661   1.0554   3.2264   0.9300  321.276   66.098  340.600   53.110 -19.32471 84.79216 
1 1 1   27   38    9 o  333.541   37.044   3.0939   0.6350   2.9882   0.8926   3.2022   0.9036  327.472   53.015  339.611   51.754 -12.13953 74.08830 
1 1 1   27   38   11 o  205.226   39.592   1.2384   0.4314   1.3669   0.5807   1.0801   0.6444  217.519   52.522  192.933   59.258 24.58601 79.18336 
1 1 1   27   38   13 o  223.684   50.091   0.7765   0.5469   0.3231   0.5970   3.1419   1.3637  137.138   55.194  310.230   83.607 -173.0918 100.1820 
1 1 1   27   38   15 o  119.230   31.306   0.3211   0.2557   0.3294   0.3626   0.3129   0.3607  120.028   44.377  118.431   44.169 1.597092 62.61184 
1 1 1   27   38   17 o  175.145   36.487   0.8714   0.3833   1.3131   0.5276   0.3779   0.5577  213.185   49.145  137.104   53.944 76.08090 72.97386 
1 1 1   27   38   19 o  279.679   38.916   2.3064   0.5386   2.4153   0.7424   2.1853   0.7825  288.708   51.922  270.651   57.982 18.05731 77.83145 
1 1 1   27   38   21 o  141.296   36.945   0.4932   0.3645   0.2572   0.5714   0.6550   0.4732  129.559   53.302  153.034   51.172 -23.47586 73.88960 
1 1 1   27   38   23 o  181.286   48.078   0.9361   0.5558   0.9995   0.6257   0.6992   1.2103  182.182   58.732  180.390   76.135 1.791855 96.15551 
1 1 1   27   39    0 o  106.107   45.181   0.3530   0.3651   0.4062   0.3916   0.0000   1.0088  102.227   54.617  109.987   71.987 -0.000000 0.000000 
1 1 1   27   39    2 o  275.420   39.311   2.2230   0.5482   3.1851   0.7808   1.2875   0.7699  341.952   44.412  208.888   64.876 133.0633 78.62109 
1 1 1   27   39    4 o  102.189   28.837   0.1527   0.2312   0.2401   0.3229   0.0608   0.3312  109.043   41.539   95.335   40.010 13.70727 57.67379 
1 1 1   27   39    6 o  236.682   37.937   1.6486   0.4717   2.2126   0.6496   1.0195   0.6860  284.788   44.367  188.576   61.550 96.21249 75.87361 
1 1 1   27   39    8 o  165.782   37.146   0.7184   0.3628   1.0876   0.5596   0.4506   0.4766  193.616   54.114  137.947   50.902 55.66884 74.29210 
1 1 1   27   39   10 o  265.783   40.870   2.0782   0.5426   1.9769   0.7755   2.1753   0.7594  258.290   59.607  273.274   55.931 -14.98395 81.73962 
1 1 1   27   39   12 o  195.606   49.020   1.1414   0.6471   1.4780   0.7364   0.0000   1.3560  221.631   62.127  169.581   75.841 52.05009 98.03932 
1 1 1   27   39   14 o  202.072   40.785   1.2424   0.4631   0.8102   0.7108   1.5613   0.6105  172.811   62.406  231.333   52.526 -58.52164 81.56912 
1 1 1   27   39   16 o  228.419   39.049   1.5131   0.4614   1.0602   0.6180   2.0836   0.6936  189.180   58.020  267.658   52.276 -78.47797 78.09716 
1 1 1   27   39   18 o  228.664   44.400   1.6448   0.5366   1.7853   0.6801   1.4131   0.8734  244.844   55.331  212.484   69.454 32.36043 88.80014 
1 1 1   27   39   20 o  178.756   38.893   0.9452   0.3924   0.8598   0.5391   1.0414   0.5724  171.134   54.447  186.379   55.555 -15.24539 77.78687 
1 1 1   27   40    1 o  153.365   33.951   0.6147   0.3200   0.9769   0.4575   0.2680   0.4476  184.735   47.804  121.995   48.222 62.74007 67.90175 
1 1 1   27   40    3 o  126.160   29.123   0.3310   0.2450   0.7368   0.3656   0.0000   0.3302  161.529   43.186   90.790   39.085 70.73917 58.24635 
1 1 1   27   40    5 o  315.508   38.396   2.8430   0.6047   2.4276   0.8413   3.2869   0.8697  287.091   58.974  343.924   49.183 -56.83356 76.79141 
1 1 1   27   40    7 o  438.371   36.667   5.4024   0.8246   5.5839   1.1450   5.2068   1.1887  447.491   49.766  429.250   53.863 18.24118 73.33438 
1 1 1   27   40    9 o  552.093   36.870   8.5932   1.0401   7.4986   1.4562   9.7330   1.4860  513.262   55.185  590.925   48.912 -77.66223 73.74088 
1 1 1   27   40   11 o  230.550   50.768   1.7059   0.6305   1.8169   0.7141   1.3137   1.3427  247.299   57.287  213.800   83.832 33.49945 101.5361 
1 1 1   27   40   13 o  195.369   46.561   1.1751   0.5545   0.6716   1.0714   1.3593   0.6480  177.850   73.054  212.888   57.746 -35.03778 93.12119 
1 1 1   27   40   15 o  162.184   38.840   0.7312   0.3780   0.7882   0.6112   0.6958   0.4811  167.326   58.102  157.042   51.560 10.28438 77.68027 
1 1 1   27   40   17 o  288.954   47.197   2.6033   0.6803   2.7933   1.0518   2.4666   0.8920  295.285   70.296  282.624   62.997 12.66171 94.39346 
1 1 1   27   40   19 o  195.475   40.687   1.1745   0.4369   1.2549   0.5786   1.0678   0.6666  203.810   54.255  187.140   60.649 16.67046 81.37497 
1 1 1   27   41    0 f  212.378   66.706   1.6656   0.6957   2.4116   1.3711   1.4069   0.8074  237.025  105.866  187.731   81.187 0.000000 0.000000 
1 1 1   27   41    2 o  157.612   37.165   0.6832   0.3566   0.8093   0.5007   0.5534   0.5079  168.281   52.324  146.943   52.794 21.33733 74.33021 
1 1 1   27   41    4 o  205.547   40.143   1.2520   0.4436   1.4934   0.6301   1.0147   0.6247  224.999   54.944  186.095   58.541 38.90378 80.28675 
1 1 1   27   41    6 o  298.890   38.248   2.5677   0.5740   2.2947   0.7937   2.8672   0.8312  278.569   57.328  319.210   50.647 -40.64133 76.49594 
1 1 1   27   41    8 o  216.910   39.228   1.3966   0.4461   1.7321   0.6377   1.0750   0.6244  243.419   52.499  190.401   58.304 53.01894 78.45698 
1 1 1   27   41   10 o  308.428   57.799   2.7974   0.7837   2.5077   0.8715   4.0216   1.7917  288.339   60.708  328.518   98.374 -40.17816 115.5978 
1 1 1   27   41   12 o  273.776   39.252   2.3058   0.5369   2.9553   0.7257   1.5200   0.7981  326.844   43.184  220.709   65.560 106.1344 78.50497 
1 1 1   27   41   14 o  210.784   39.149   1.3378   0.4298   1.3738   0.6080   1.3019   0.6076  213.781   55.002  207.788   55.726 5.993301 78.29840 
1 1 1   27   41   16 o  135.389   34.159   0.4726   0.2998   0.5578   0.4453   0.4020   0.4055  143.034   49.597  127.743   46.984 15.29036 68.31846 
1 1 1   27   42    1 f  151.290   36.308   0.6262   0.3380   0.7010   0.4796   0.5524   0.4765  157.700   51.464  144.879   51.231 12.82147 72.61681 
1 1 1   27   42    3 o  237.651   38.164   1.6653   0.4812   2.3720   0.6879   0.9881   0.6734  291.923   45.833  183.380   61.035 108.5426 76.32774 
1 1 1   27   42    5 o  308.524   40.896   2.8578   0.6243   3.6565   0.8801   2.0491   0.8856  361.271   47.386  255.777   66.668 105.4944 81.79279 
1 1 1   27   42    7 o  178.939   38.126   0.9447   0.3858   1.1248   0.5338   0.7476   0.5583  195.030   52.207  162.848   55.577 32.18192 76.25200 
1 1 1   27   42    9 o  351.764   53.615   3.2390   0.8321   2.4234   0.9426   6.1175   1.7709  277.454   66.868  426.073   83.827 -148.6192 107.2301 
1 1 1   27   42   11 o  209.610   40.420   1.3396   0.4477   1.3942   0.6109   1.2762   0.6581  215.107   55.016  204.114   59.233 10.99315 80.84085 
1 1 1   27   42   13 o  290.012   45.093   2.5470   0.6528   3.4156   1.0169   1.9382   0.8513  333.652   61.550  246.372   65.918 87.28076 90.18629 
1 1 1   27   43    0 o   85.532   41.048   0.0000   0.3005   0.0000   1.0123   0.0000   0.3147  108.050   71.201   63.013   40.866 0.000000 0.000000 
1 1 1   27   43    2 o  124.400   31.739   0.3446   0.2734   0.1150   0.3796   0.5922   0.3943  103.592   43.104  145.209   46.599 -41.61732 63.47775 
1 1 1   27   43    4 o  227.202   39.562   1.5477   0.4766   2.1851   0.6944   0.9801   0.6553  273.105   51.341  181.300   60.205 91.80580 79.12334 
1 1 1   27   43    6 o  173.225   47.904   0.7521   0.5093   0.7661   0.5532   0.6747   1.3045  163.367   55.324  183.084   78.221 -19.71692 95.80876 
1 1 1   27   43    8 o  357.523   55.494   4.0244   0.8853   3.7746   1.0154   4.8163   1.8077  359.160   54.991  355.887   96.408 3.272186 110.9890 
1 1 1   28    0    0 o  176.258   87.121   1.1846   0.9482   0.0000   0.0000   1.1846   0.9482  176.258   87.121  176.258   87.121 -0.000000 0.000000 
1 1 1   28    0    2 o  231.607   63.373   1.9254   0.7782   2.5816   1.0914   1.2464   1.1101  282.949   85.944  180.265   93.158 -0.000000 0.000000 
1 1 1   28    0    4 o  302.184   66.015   3.0710   0.9312   2.2822   1.3659   3.7560   1.2729  247.647  105.463  356.720   79.432 0.000000 0.000000 
1 1 1   28    0    6 o  193.106   83.056   1.3836   0.8458   0.0000   0.0000   1.3836   0.8458  193.106   83.056  193.106   83.056 0.000000 0.000000 
1 1 1   28    0    8 o  252.952   81.862   2.1116   0.9410   0.0000   0.0000   2.1116   0.9410  252.952   81.862  252.952   81.862 0.000000 0.000000 
1 1 1   28    0   10 f  389.355   63.854   4.7019   1.0712   3.9477   1.7022   5.1965   1.3784  345.974  108.928  432.736   66.663 0.000000 0.000000 
1 1 1   28    0   12 o  968.847   49.437   25.042   2.3329   24.150   3.8371   25.566   2.9384  950.562   79.809  987.132   58.365 0.000000 0.000000 
1 1 1   28    0   14 o  674.314   80.520   12.411   2.6863   12.411   2.6863   0.0000   0.0000  674.314   80.520  674.314   80.520 0.000000 0.000000 
1 1 1   28    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   18 o  439.953   68.016   6.3803   1.2153   4.2554   2.0067   7.6111   1.5272  348.164  123.247  531.742   57.575 0.000000 0.000000 
1 1 1   28    0   20 o  386.944   56.546   4.3046   0.9802   4.9293   1.5473   3.8859   1.2667  410.622   82.699  363.267   77.140 0.000000 0.000000 
1 1 1   28    0   22 o  271.497   58.566   2.3455   0.7304   1.7122   0.9552   3.2370   1.1333  215.749   87.747  327.244   77.591 -0.000000 0.000000 
1 1 1   28    0   24 o  332.164   62.169   3.5743   0.9089   2.9988   1.4131   3.9803   1.1869  292.365  103.394  371.962   69.061 0.000000 0.000000 
1 1 1   28    0   26 o  362.042   58.057   3.8747   0.9257   2.3012   1.1999   6.1881   1.4549  250.749   97.611  473.335   62.887 -0.000000 0.000000 
1 1 1   28    0   28 o  632.094   47.579   10.782   1.4706   13.564   2.2128   8.5813   1.9682  709.257   61.759  554.932   72.392 0.000000 0.000000 
1 1 1   28    0   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   32 o  1157.24   63.645   35.949   3.7605   35.949   3.7605   0.0000   0.0000  1157.24   63.645  1157.24   63.645 0.000000 0.000000 
1 1 1   28    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   36 o  290.353   83.776   2.7658   1.0848   2.7658   1.0848   0.0000   0.0000  290.353   83.776  290.353   83.776 -0.000000 0.000000 
1 1 1   28    0   38 o   76.489   49.540   0.0000   0.4604   0.0000   0.0000   0.0000   0.4604   76.489   49.540   76.489   49.540 0.000000 0.000000 
1 1 1   28    0   40 o  238.092   62.598   2.1057   0.7158   1.9828   1.0552   2.2104   0.9742  225.801   92.292  250.383   84.593 0.000000 0.000000 
1 1 1   28    0   42 o  145.967   71.042   0.8675   0.6265   0.8675   0.6265   0.0000   0.0000  145.967   71.042  145.967   71.042 -0.000000 0.000000 
1 1 1   28    0   44 o  109.886   43.380   0.4513   0.3717   0.6043   0.5353   0.3089   0.5165  121.890   64.219   97.882   58.336 -0.000000 0.000000 
1 1 1   28    0   46 o  195.515   51.196   1.5242   0.5883   2.2046   0.7838   0.6462   0.8904  261.201   67.539  129.830   76.958 -0.000000 0.000000 
1 1 1   28    1    1 o  1418.01   36.488   52.410   2.6525   47.733   3.7398   57.145   3.7628  1353.51   53.742  1482.50   49.369 -128.9885 72.97587 
1 1 1   28    1    3 o  307.781   39.477   2.5163   0.6086   2.8841   0.8716   2.1665   0.8501  332.896   50.926  282.667   60.335 50.22891 78.95383 
1 1 1   28    1    5 o  437.273   50.425   5.1383   1.1000   4.5551   1.5748   5.6940   1.5371  408.618   77.803  465.927   64.168 -57.30896 100.8506 
1 1 1   28    1    7 o  783.518   44.464   16.130   1.7879   15.264   2.5530   16.964   2.5047  762.264   65.144  804.773   60.536 -42.50867 88.92893 
1 1 1   28    1    9 o  364.940   38.729   3.3237   0.7077   4.2090   1.1759   2.8209   0.8862  401.084   57.023  328.796   52.422 72.28799 77.45762 
1 1 1   28    1   11 o  354.521   50.672   3.6518   0.8014   2.8168   1.5368   3.9637   0.9392  318.871   89.879  390.171   46.823 -71.29935 101.3435 
1 1 1   28    1   13 f  305.155   48.771   2.8541   0.7182   1.5725   1.3374   3.3734   0.8513  250.453   86.006  359.858   46.015 -109.4048 97.54212 
1 1 1   28    1   15 o  335.481   49.516   2.9420   0.8541   2.9420   0.8541   0.0000   0.0000  335.481   49.516  ?   ?       ?      ? 
1 1 1   28    1   17 o  321.542   54.935   2.7891   0.8571   2.5998   1.0446   3.1789   1.4992  307.043   67.971  336.040   86.321 -28.99664 109.8696 
1 1 1   28    1   19 f  495.819   45.366   6.6367   1.0399   6.2993   1.9230   6.7761   1.2363  482.984   77.443  508.655   47.276 -25.67093 90.73280 
1 1 1   28    1   21 o  564.601   32.284   8.3609   0.9350   7.6622   1.3139   9.0778   1.3308  540.289   47.300  588.913   43.953 -48.62463 64.56885 
1 1 1   28    1   23 o  173.298   37.389   0.8005   0.3633   0.7815   0.5316   0.8172   0.4975  172.169   53.981  174.428   51.749 -2.258133 74.77894 
1 1 1   28    1   25 o  249.580   37.429   1.6992   0.4754   1.3032   0.6707   2.0990   0.6740  217.029   58.693  282.130   46.465 -65.10109 74.85871 
1 1 1   28    1   27 o  178.515   36.348   0.8222   0.3657   0.4836   0.4909   1.2445   0.5482  144.769   51.911  212.260   50.891 -67.49121 72.69534 
1 1 1   28    1   29 o  251.206   47.163   1.8327   0.6819   2.7208   0.9169   0.7335   1.0200  312.668   59.203  189.744   73.434 122.9247 94.32694 
1 1 1   28    1   31 o  354.415   49.628   3.5228   0.8862   2.9361   1.2048   4.2145   1.3080  317.620   74.982  391.211   65.033 -73.59070 99.25527 
1 1 1   28    1   33 o  363.314   40.183   3.2877   0.6943   5.4696   1.1929   2.1699   0.8539  450.405   51.516  276.222   61.684 174.1824 80.36684 
1 1 1   28    1   35 o  382.161   48.586   3.9339   0.9546   0.0000   0.0000   3.9339   0.9546  ?   ?   382.161   48.586      ?      ? 
1 1 1   28    1   37 o  271.566   50.413   2.1837   0.7126   2.3468   1.0363   2.0374   0.9814  281.033   71.541  262.100   71.047 18.93289 100.8255 
1 1 1   28    1   39 o  129.321   34.453   0.3610   0.3106   0.4218   0.3991   0.2675   0.4949  131.778   46.853  126.864   50.526 4.914238 68.90659 
1 1 1   28    1   41 o  236.334   72.933   1.7091   0.9748   1.7091   0.9748   0.0000   0.0000  236.334   72.933  ?   ?       ?      ? 
1 1 1   28    1   43 o  155.338   36.928   0.6067   0.3386   0.8938   0.5724   0.4522   0.4199  176.321   56.105  134.355   48.031 41.96564 73.85618 
1 1 1   28    1   45 o  217.791   39.294   1.2506   0.4386   2.1759   0.7609   0.7903   0.5367  269.799   56.661  165.783   54.456 104.0155 78.58740 
1 1 1   28    2    0 o  108.733   61.482   0.4044   0.5281   0.0000   0.0000   0.4044   0.5281  108.733   61.482  108.733   61.482 -0.000000 0.000000 
1 1 1   28    2    2 o  211.268   44.706   1.0562   0.5021   0.7862   0.6083   1.6334   0.8894  176.892   57.969  245.644   68.073 -68.75169 89.41148 
1 1 1   28    2    4 o  497.918   71.307   6.5314   1.8254   6.5314   1.8254   0.0000   0.0000  497.918   71.307  ?   ?       ?      ? 
1 1 1   28    2    6 o  472.491   48.998   5.9244   1.1393   7.5830   1.6809   4.5150   1.5495  538.114   60.756  406.868   76.890 131.2463 97.99689 
1 1 1   28    2    8 o  239.037   63.415   1.5533   0.7922   0.0000   0.0000   1.5533   0.7922  ?   ?   239.037   63.415      ?      ? 
1 1 1   28    2   10 o  547.515   44.019   7.7611   1.1106   8.1395   2.1230   7.6185   1.3032  554.005   74.537  541.026   46.850 12.97803 88.03764 
1 1 1   28    2   12 f  279.450   51.148   2.2246   0.7350   1.6977   1.2286   2.5183   0.9172  254.412   82.325  304.487   60.722 -50.07513 102.2963 
1 1 1   28    2   14 o  402.199   42.364   4.4819   0.8104   5.0290   1.0442   3.6533   1.2850  439.202   46.243  365.197   70.997 74.00485 84.72848 
1 1 1   28    2   16 o  1009.95   32.397   26.645   1.6799   28.159   2.3720   25.122   2.3795  1039.22   44.396  980.679   47.194 58.54510 64.79407 
1 1 1   28    2   18 o  565.071   54.514   9.1417   1.4310   10.355   1.8147   7.1456   2.3271  626.776   56.315  503.366   93.359 123.4097 109.0284 
1 1 1   28    2   20 f  602.281   33.160   9.6336   1.0063   11.750   1.4193   7.4951   1.4268  671.011   41.142  533.550   52.015 137.4605 66.31960 
1 1 1   28    2   22 o  266.894   36.148   1.9099   0.4840   2.3120   0.7024   1.5462   0.6679  296.762   46.036  237.026   55.743 59.73598 72.29515 
1 1 1   28    2   24 o  245.761   38.258   1.6625   0.4703   1.6626   0.6649   1.6625   0.6654  245.767   54.085  245.755   54.126 0.1193237E-01 76.51691 
1 1 1   28    2   26 o  543.652   41.016   7.7398   1.0466   7.4781   1.2402   8.3875   1.9509  532.422   45.307  554.881   68.385 -22.45984 82.03163 
1 1 1   28    2   28 o  277.104   53.038   2.2078   0.7740   2.1637   1.1152   2.2487   1.0750  274.291   76.302  279.917   73.689 -5.626251 106.0754 
1 1 1   28    2   30 o  232.237   39.936   1.6165   0.5128   0.6660   0.8285   2.2067   0.6528  175.938   66.655  288.536   44.008 -112.5976 79.87251 
1 1 1   28    2   32 o  224.813   42.875   1.4990   0.5212   0.9394   0.8512   1.8347   0.6592  192.558   68.432  257.067   51.671 -64.50974 85.74911 
1 1 1   28    2   34 o  158.134   35.476   0.6352   0.3498   0.9951   0.4852   0.2458   0.5047  188.897   49.402  127.371   50.929 61.52578 70.95280 
1 1 1   28    2   36 o  459.699   39.984   5.4220   0.9062   7.2607   1.5810   4.5225   1.1058  511.982   60.063  407.416   52.793 104.5652 79.96701 
1 1 1   28    2   38 o  204.779   40.045   1.2873   0.4693   0.5251   0.7969   1.6921   0.5807  163.341   64.413  246.217   47.597 -82.87610 80.09077 
1 1 1   28    2   40 o  196.948   44.948   1.1070   0.5295   1.3748   0.7331   0.8151   0.7655  216.307   62.445  177.588   64.667 38.71884 89.89534 
1 1 1   28    2   42 o  101.831   42.196   0.1036   0.3616   0.1036   0.3616   0.0000   0.0000  101.831   42.196  ?   ?       ?      ? 
1 1 1   28    2   44 o  389.890   33.524   4.2493   0.6692   3.8170   0.9423   4.6893   0.9506  368.278   49.767  411.501   44.930 -43.22321 67.04784 
1 1 1   28    2   46 o  197.945   40.292   1.2873   0.4508   1.5467   0.5362   0.6614   0.8330  230.818   46.784  165.073   65.613 65.74524 80.58385 
1 1 1   28    3    1 o  739.222   52.272   14.487   1.9754   13.053   2.8357   15.839   2.7535  702.285   78.537  776.160   69.003 -73.87561 104.5442 
1 1 1   28    3    3 o  713.466   50.724   13.409   1.8550   13.467   2.7325   13.360   2.5264  714.214   74.416  712.717   68.947 1.496643 101.4472 
1 1 1   28    3    5 o  245.504   66.912   1.6357   0.8677   0.0000   0.0000   1.6357   0.8677  ?   ?   245.504   66.912      ?      ? 
1 1 1   28    3    7 o  778.551   59.738   15.874   2.3912   0.0000   0.0000   15.874   2.3912  ?   ?   778.551   59.738      ?      ? 
1 1 1   28    3    9 o  808.744   58.034   17.129   2.4130   0.0000   0.0000   17.129   2.4130  ?   ?   808.744   58.034      ?      ? 
1 1 1   28    3   11 o  264.541   42.809   1.9099   0.5655   1.9266   0.7482   1.8877   0.8635  266.416   56.384  262.665   64.430 3.750549 85.61751 
1 1 1   28    3   13 o  379.437   34.522   3.7538   0.6726   4.0252   0.9666   3.4990   0.9365  392.831   47.860  366.043   49.764 26.78717 69.04389 
1 1 1   28    3   15 o  481.005   33.434   6.0594   0.8222   6.8015   1.1651   5.3232   1.1605  510.880   44.359  451.129   50.036 59.75070 66.86810 
1 1 1   28    3   17 o  578.161   36.816   8.5923   1.0719   7.9403   1.3634   9.6473   1.7343  550.892   48.139  605.429   55.717 -54.53748 73.63240 
1 1 1   28    3   19 o  546.424   48.094   7.6068   1.3175   6.3137   1.6554   9.8412   2.1760  486.585   66.170  606.262   69.811 -119.6770 96.18734 
1 1 1   28    3   21 o  587.675   43.262   9.0560   1.1638   8.8900   1.3610   9.5074   2.2445  582.356   45.457  592.995   73.620 -10.64001 86.52345 
1 1 1   28    3   23 o  814.801   44.698   19.007   1.6272   20.628   1.9360   15.108   3.0029  887.252   42.442  742.350   78.678 144.9024 89.39589 
1 1 1   28    3   25 o  494.990   51.607   7.5730   1.0539   8.5057   1.2440   5.2000   1.9841  569.027   42.521  420.953   94.048 148.0745 103.2133 
1 1 1   28    3   27 o  380.046   46.751   3.8237   0.9135   0.0000   0.0000   3.8237   0.9135  ?   ?   380.046   46.751      ?      ? 
1 1 1   28    3   29 o  154.034   37.903   0.5771   0.3838   0.2190   0.6195   0.8001   0.4889  136.386   55.733  171.682   51.384 -35.29578 75.80570 
1 1 1   28    3   31 o  212.530   45.105   1.3251   0.5185   1.5033   0.5999   0.7989   1.0312  232.440   51.551  192.620   74.029 39.82031 90.20987 
1 1 1   28    3   33 o  356.753   42.135   3.4236   0.7205   3.9008   1.2408   3.1807   0.8851  369.636   67.789  343.870   50.062 25.76596 84.27042 
1 1 1   28    3   35 o  417.047   33.001   4.6768   0.7064   4.8747   0.9865   4.4686   1.0119  426.752   44.963  407.343   48.317 19.40927 66.00138 
1 1 1   28    3   37 o  527.914   33.134   7.5239   0.8991   7.4320   1.2560   7.6206   1.2877  524.772   46.552  531.056   47.163 -6.283936 66.26790 
1 1 1   28    3   39 o  598.843   40.518   9.9155   1.1822   10.342   2.0310   9.6971   1.4538  600.928   65.739  596.759   47.385 4.168945 81.03642 
1 1 1   28    3   41 o  226.474   44.623   1.5454   0.5254   1.3952   0.9144   1.6195   0.6419  216.321   71.082  236.627   53.964 -20.30603 89.24540 
1 1 1   28    3   43 o  222.583   65.945   1.5153   0.8083   1.5153   0.8083   0.0000   0.0000  222.583   65.945  ?   ?       ?      ? 
1 1 1   28    3   45 o  261.088   52.411   2.0032   0.6791   2.0032   0.6791   0.0000   0.0000  261.088   52.411  ?   ?       ?      ? 
1 1 1   28    4    0 o  239.225   74.896   1.8609   0.8083   1.8609   0.8083   0.0000   0.0000  239.225   74.896  239.225   74.896 0.000000 0.000000 
1 1 1   28    4    2 o  697.263   36.373   12.657   1.3037   12.970   1.8584   12.353   1.8294  705.799   51.215  688.728   51.663 17.07068 72.74643 
1 1 1   28    4    4 o  481.655   42.606   5.8077   0.9961   6.8773   1.7805   5.3204   1.2017  511.391   67.722  451.919   51.720 59.47134 85.21272 
1 1 1   28    4    6 o  420.628   49.635   4.8312   1.0199   4.2180   1.5666   5.2823   1.3437  391.889   80.448  449.368   58.160 -57.47903 99.27000 
1 1 1   28    4    8 o  1239.03   43.258   40.270   2.7350   40.300   4.1261   40.247   3.6527  1237.91   64.830  1240.15   57.288 -2.234131 86.51537 
1 1 1   28    4   10 o  206.731   38.963   1.1546   0.4215   1.2197   0.6113   1.0956   0.5819  212.063   55.444  201.398   54.758 10.66446 77.92640 
1 1 1   28    4   12 o  218.461   38.881   1.3169   0.4428   0.9880   0.6521   1.5983   0.6032  193.748   59.626  243.174   49.917 -49.42630 77.76273 
1 1 1   28    4   14 o  382.483   34.946   3.8726   0.6748   3.0666   0.9602   4.6590   0.9485  341.955   54.615  423.010   43.613 -81.05566 69.89188 
1 1 1   28    4   16 o  226.791   37.530   1.4021   0.4298   1.4346   0.6107   1.3702   0.6051  229.430   52.861  224.152   53.290 5.278656 75.06069 
1 1 1   28    4   18 o  582.712   46.534   9.1601   1.2009   9.2901   1.3913   8.7806   2.3779  596.154   45.394  569.271   81.246 26.88348 93.06764 
1 1 1   28    4   20 o  289.359   55.046   2.4177   0.8294   2.6915   1.0304   1.9136   1.3978  311.948   66.290  266.769   87.897 45.17929 110.0920 
1 1 1   28    4   22 o  188.740   45.890   0.8876   0.5382   0.9409   0.7271   0.8230   0.8006  191.194   63.412  186.286   66.350 4.908615 91.77919 
1 1 1   28    4   24 o  378.728   41.377   3.9155   0.7473   3.7633   1.2451   4.0012   0.9343  367.783   68.364  389.674   46.633 -21.89087 82.75420 
1 1 1   28    4   26 o  367.050   48.237   3.5679   0.9103   0.0000   0.0000   3.5679   0.9103  ?   ?   367.050   48.237      ?      ? 
1 1 1   28    4   28 o  178.793   37.964   0.8891   0.4190   1.2917   0.5261   0.1903   0.6930  216.457   48.476  141.129   58.440 75.32791 75.92863 
1 1 1   28    4   30 o  275.826   36.889   2.1479   0.5012   2.6345   0.6810   1.5728   0.7404  315.647   41.965  236.005   60.681 79.64230 73.77821 
1 1 1   28    4   32 o  151.880   39.874   0.4112   0.3916   0.2303   0.4682   0.8325   0.7145  123.275   49.132  180.486   62.815 -57.21074 79.74786 
1 1 1   28    4   34 o  402.412   34.175   4.4032   0.6970   5.0466   0.9656   3.7033   1.0071  435.250   43.152  369.573   53.005 65.67715 68.34962 
1 1 1   28    4   36 o  321.638   36.708   2.8806   0.5828   3.4012   0.8178   2.3433   0.8308  356.102   44.670  287.173   58.263 68.92877 73.41672 
1 1 1   28    4   38 o  209.446   38.061   0.9464   0.4325   2.2991   0.7798   0.3455   0.5197  284.494   55.306  134.398   52.306 150.0959 76.12288 
1 1 1   28    4   40 o  178.910   53.272   0.9088   0.5265   0.9088   0.5265   0.0000   0.0000  178.910   53.272  ?   ?       ?      ? 
1 1 1   28    4   42 o  173.740   45.675   0.7736   0.5510   0.5654   0.8178   0.9468   0.7457  163.678   65.026  183.802   64.160 -20.12434 91.35065 
1 1 1   28    4   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   46 o  334.005   47.974   3.1723   0.8238   3.1723   0.8238   0.0000   0.0000  334.005   47.974  ?   ?       ?      ? 
1 1 1   28    5    1 o  308.554   41.032   2.5350   0.6352   2.9359   0.9110   2.1557   0.8861  335.631   52.794  281.476   62.826 54.15469 82.06331 
1 1 1   28    5    3 o  242.939   40.567   1.6083   0.5006   1.3734   0.7131   1.8364   0.7029  225.214   60.362  260.665   54.213 -35.45131 81.13361 
1 1 1   28    5    5 f  865.292   46.370   19.612   2.0451   20.171   3.1205   19.191   2.7077  874.943   69.370  855.640   61.552 19.30206 92.74077 
1 1 1   28    5    7 o  617.134   44.205   9.9080   1.3906   10.674   2.1379   9.3461   1.8309  637.045   65.275  597.223   59.629 39.82196 88.41063 
1 1 1   28    5    9 o  900.924   40.415   22.055   1.7371   18.936   2.9616   23.690   2.1448  847.089   68.002  954.760   43.695 -107.6705 80.83033 
1 1 1   28    5   11 o  300.017   37.188   2.3973   0.5590   2.2789   0.8131   2.5035   0.7699  290.172   56.538  309.861   48.326 -19.68887 74.37656 
1 1 1   28    5   13 o  307.807   37.247   2.5082   0.5769   2.6918   0.8410   2.3450   0.7928  320.856   50.982  294.758   54.314 26.09802 74.49301 
1 1 1   28    5   15 o  142.163   38.917   0.3670   0.3906   0.5014   0.4566   0.0000   0.7546  145.264   50.232  139.061   59.455 6.203140 77.83429 
1 1 1   28    5   17 o  332.255   48.417   2.8904   0.8271   2.8904   0.8271   0.0000   0.0000  332.255   48.417  ?   ?       ?      ? 
1 1 1   28    5   19 o  1016.88   49.156   28.060   2.4751   29.184   3.1496   26.245   4.0023  1049.96   58.346  983.800   79.128 66.15662 98.31284 
1 1 1   28    5   21 o  560.312   48.547   8.3664   1.3659   8.0928   1.7423   8.8029   2.2003  550.972   61.506  569.652   75.127 -18.67987 97.09299 
1 1 1   28    5   23 o  264.712   42.225   1.7204   0.5542   2.9565   0.9546   1.0919   0.6807  328.552   58.667  200.872   60.744 127.6791 84.44927 
1 1 1   28    5   25 o  333.786   44.341   3.2198   0.6851   2.6035   1.1927   3.5233   0.8370  301.815   76.701  365.756   44.512 -63.94055 88.68122 
1 1 1   28    5   27 o  212.424   42.075   1.2477   0.4706   1.2371   0.6035   1.2640   0.7517  211.087   55.043  213.761   63.652 -2.673325 84.15066 
1 1 1   28    5   29 o  211.461   36.169   1.2502   0.3917   1.4583   0.5444   1.0268   0.5641  230.238   47.565  192.683   54.500 37.55505 72.33741 
1 1 1   28    5   31 o  271.173   35.800   2.0136   0.4869   2.1644   0.6753   1.8503   0.7027  285.009   46.089  257.338   54.795 27.67139 71.60081 
1 1 1   28    5   33 o  401.147   52.303   4.7110   1.0317   5.2193   1.3699   4.0449   1.5682  435.576   61.170  366.718   84.856 68.85782 104.6060 
1 1 1   28    5   35 o  463.538   34.907   5.9178   0.8040   7.5328   1.1323   4.2755   1.1419  531.970   41.401  395.106   56.213 136.8640 69.81387 
1 1 1   28    5   37 f  280.126   35.899   2.1649   0.5051   1.9413   0.7001   2.4076   0.7294  262.009   53.777  298.243   47.571 -36.23438 71.79786 
1 1 1   28    5   39 o  371.128   48.429   3.7636   0.9241   3.7636   0.9241   0.0000   0.0000  371.128   48.429  ?   ?       ?      ? 
1 1 1   28    5   41 o  235.759   44.551   1.5342   0.5356   1.1777   0.6613   2.2143   0.9134  200.589   59.696  270.930   66.149 -70.34128 89.10253 
1 1 1   28    5   43 o  307.481   50.240   2.9878   0.8334   1.7216   1.1784   4.2549   1.1789  232.161   80.675  382.800   59.899 -150.6388 100.4803 
1 1 1   28    5   45 o  260.337   53.651   2.2466   0.7731   1.8097   1.0766   2.7118   1.1110  233.448   77.151  287.226   74.575 -53.77776 107.3017 
1 1 1   28    6    0 o  290.222   67.056   2.5006   0.8707   0.0000   0.0000   2.5006   0.8707  290.222   67.056  290.222   67.056 -0.000000 0.000000 
1 1 1   28    6    2 o  539.856   38.132   7.7289   1.0343   5.9191   1.4725   9.4912   1.4530  475.454   60.238  604.257   46.772 -128.8024 76.26423 
1 1 1   28    6    4 f  279.487   47.778   2.1173   0.6271   2.1091   1.1944   2.1204   0.7368  278.263   79.516  280.712   52.992 -2.449554 95.55594 
1 1 1   28    6    6 o  231.039   47.816   1.4399   0.5942   1.3264   0.9773   1.5065   0.7485  226.708   73.432  235.370   61.262 -8.661896 95.63146 
1 1 1   28    6    8 o  658.209   43.864   11.338   1.4681   11.673   2.2622   11.094   1.9297  665.623   66.105  650.794   57.674 14.82916 87.72726 
1 1 1   28    6   10 o  306.194   52.617   2.7164   0.8945   3.8108   1.1609   1.1169   1.4035  380.997   59.265  231.390   86.959 149.6064 105.2340 
1 1 1   28    6   12 o  942.838   44.326   22.496   1.9430   21.313   2.2761   25.672   3.7305  903.551   48.998  982.124   73.881 -78.57263 88.65206 
1 1 1   28    6   14 o  466.175   45.785   5.5393   0.9668   5.3138   1.1177   6.2092   1.9268  450.999   48.202  481.350   77.857 -30.35095 91.57050 
1 1 1   28    6   16 o  347.494   54.837   3.5064   0.9673   4.2696   1.2480   2.3581   1.5307  401.965   60.388  293.023   91.553 108.9418 109.6749 
1 1 1   28    6   18 o  733.309   37.276   13.654   1.3757   16.661   2.2446   11.846   1.7410  794.972   54.918  671.645   50.418 123.3267 74.55199 
1 1 1   28    6   20 o  835.753   38.393   18.752   1.5850   17.278   2.5695   19.657   2.0139  805.355   62.056  866.152   45.224 -60.79742 76.78631 
1 1 1   28    6   22 f  485.773   53.785   6.7192   1.2509   7.4842   1.6220   5.5964   1.9651  529.756   59.551  441.791   89.582 87.96527 107.5697 
1 1 1   28    6   24 o  639.637   40.995   11.298   1.2539   9.8337   2.1300   12.075   1.5512  601.826   68.839  677.448   44.538 -75.62183 81.99037 
1 1 1   28    6   26 o  418.111   39.507   4.7526   0.7975   4.9092   0.9842   4.4533   1.3607  431.378   44.377  404.843   65.376 26.53546 79.01479 
1 1 1   28    6   28 o  190.005   37.120   0.9852   0.3786   0.7786   0.5209   1.2165   0.5513  170.597   53.424  209.414   51.550 -38.81755 74.23913 
1 1 1   28    6   30 o  279.563   36.011   2.1423   0.4977   1.5041   0.6866   2.8485   0.7223  231.196   57.894  327.929   42.843 -96.73303 72.02261 
1 1 1   28    6   32 o  224.001   35.926   1.4083   0.4364   2.1542   0.6130   0.6417   0.6215  285.002   41.837  163.000   58.414 122.0017 71.85106 
1 1 1   28    6   34 o  283.295   53.422   2.2881   0.7893   1.8019   1.0223   3.0056   1.2418  248.370   74.295  318.220   76.786 -69.85080 106.8446 
1 1 1   28    6   36 o  235.705   43.121   1.7345   0.5351   2.0449   0.6281   0.9122   1.0222  276.115   44.243  195.296   74.028 80.81905 86.24187 
1 1 1   28    6   38 o  129.371   52.255   0.2496   0.5372   0.2496   0.5372   0.0000   0.0000  129.371   52.255  ?   ?       ?      ? 
1 1 1   28    6   40 o  223.824   41.333   1.2372   0.4624   0.8174   0.5500   2.2495   0.8542  171.207   55.051  276.440   61.667 -105.2337 82.66499 
1 1 1   28    6   42 o  184.567   44.408   0.9149   0.5092   0.6149   0.6707   1.3232   0.7824  159.222   60.058  209.911   65.433 -50.68921 88.81667 
1 1 1   28    6   44 o  415.772   51.806   5.4221   1.0841   5.4162   1.5071   5.4284   1.5605  420.267   69.750  411.278   76.618 8.988983 103.6116 
1 1 1   28    7    1 f  235.997   47.336   1.3122   0.5788   0.9238   0.6980   2.1676   1.0359  190.692   62.077  281.303   71.479 -90.61156 94.67243 
1 1 1   28    7    3 o  1053.82   47.247   30.135   2.3407   31.681   2.8375   26.841   4.1408  1102.83   50.045  1004.82   80.155 98.01746 94.49466 
1 1 1   28    7    5 o  689.578   53.595   12.777   1.8723   14.428   2.5669   10.900   2.7369  740.018   67.469  639.138   83.292 100.8807 107.1893 
1 1 1   28    7    7 o  192.605   66.019   0.9018   0.7878   0.9018   0.7878   0.0000   0.0000  192.605   66.019  ?   ?       ?      ? 
1 1 1   28    7    9 o  669.739   52.200   12.125   1.7512   13.135   2.2997   10.731   2.7018  706.356   63.326  633.122   83.002 73.23370 104.4010 
1 1 1   28    7   11 o  260.721   53.680   1.7653   0.7582   1.3708   0.9760   2.3654   1.2039  228.898   73.305  292.545   78.439 -63.64713 107.3609 
1 1 1   28    7   13 o  505.490   39.151   6.6346   0.9746   6.9608   1.6486   6.4593   1.2084  513.517   62.443  497.462   47.246 16.05460 78.30292 
1 1 1   28    7   15 o  257.080   43.262   1.6464   0.5358   2.3890   0.9643   1.3147   0.6444  294.717   65.352  219.443   56.706 75.27487 86.52415 
1 1 1   28    7   17 o  466.912   39.680   5.8436   0.9122   5.3938   1.4909   6.1127   1.1533  450.449   64.377  483.375   46.406 -32.92609 79.35918 
1 1 1   28    7   19 o  836.279   32.180   18.370   1.3793   19.387   1.9160   17.276   1.9873  861.112   43.277  811.447   47.636 49.66571 64.35944 
1 1 1   28    7   21 f  421.261   33.990   4.7094   0.7293   5.1595   1.0015   4.2012   1.0642  443.679   43.907  398.843   51.898 44.83551 67.97929 
1 1 1   28    7   23 o  145.506   62.541   0.0000   0.8430   0.0000   0.0000   0.0000   0.8430  ?   ?   145.506   62.541      ?      ? 
1 1 1   28    7   25 o  375.849   40.252   3.9041   0.7191   4.1038   0.9046   3.5613   1.1855  394.561   44.592  357.135   67.026 37.42596 80.50433 
1 1 1   28    7   27 o  343.395   33.439   3.1512   0.5857   3.4194   0.8049   2.8494   0.8537  359.858   43.507  326.932   50.792 32.92575 66.87836 
1 1 1   28    7   29 o  551.079   32.173   8.0443   0.9084   7.8282   1.2279   8.3056   1.3501  543.517   43.943  558.641   47.006 -15.12384 64.34677 
1 1 1   28    7   31 o  229.417   36.971   1.4658   0.4282   1.2125   0.5941   1.7395   0.6176  208.007   54.794  250.827   49.649 -42.81941 73.94161 
1 1 1   28    7   33 o  387.262   44.640   3.9234   0.7866   3.5660   0.9205   4.8907   1.5144  364.138   49.169  410.386   74.520 -46.24799 89.27966 
1 1 1   28    7   35 o  503.558   51.935   7.5090   1.2607   8.7884   1.6978   5.9363   1.8824  564.615   58.488  442.500   85.838 122.1152 103.8702 
1 1 1   28    7   37 o  187.822   63.844   0.9603   0.7367   0.9603   0.7367   0.0000   0.0000  187.822   63.844  ?   ?       ?      ? 
1 1 1   28    7   39 f  341.881   47.860   3.2493   0.7493   3.0045   0.8797   3.8966   1.4305  329.877   51.868  353.885   80.448 -24.00851 95.71901 
1 1 1   28    7   41 o  125.461   35.527   0.2535   0.3548   0.4147   0.4537   0.0000   0.5690  133.736   49.604  117.186   50.875 16.54939 71.05493 
1 1 1   28    7   43 o  247.558   45.092   1.9967   0.5813   2.3071   0.7114   1.3731   1.0083  283.208   50.722  211.908   74.568 71.30008 90.18324 
1 1 1   28    7   45 o  258.833   41.649   1.7530   0.5238   1.1456   0.6266   3.1635   0.9548  194.235   58.178  323.431   59.615 -129.1966 83.29803 
1 1 1   28    8    0 o  169.714   87.812   1.1047   0.9873   1.1047   0.9873   0.0000   0.0000  169.714   87.812  169.714   87.812 0.000000 0.000000 
1 1 1   28    8    2 o  1351.46   52.599   48.302   3.6490   44.689   5.0702   52.184   5.2558  1298.26   75.962  1404.67   72.777 -106.4167 105.1983 
1 1 1   28    8    4 o  686.932   56.450   12.980   1.8998   16.982   2.6516   8.7601   2.7232  803.625   64.177  570.238   92.886 233.3872 112.9004 
1 1 1   28    8    6 o  572.394   71.604   8.6708   2.1072   8.6708   2.1072   0.0000   0.0000  572.394   71.604  ?   ?       ?      ? 
1 1 1   28    8    8 o  350.411   75.276   3.3799   1.3157   3.3799   1.3157   0.0000   0.0000  350.411   75.276  ?   ?       ?      ? 
1 1 1   28    8   10 o  492.792   39.772   6.2657   0.9578   6.7000   1.6543   6.0467   1.1748  504.027   63.841  481.558   47.449 22.46912 79.54353 
1 1 1   28    8   12 o  443.654   43.958   5.4783   0.8961   4.6372   1.5366   5.9118   1.1031  411.029   75.498  476.280   45.050 -65.25113 87.91683 
1 1 1   28    8   14 o  405.917   34.602   4.3060   0.7147   5.1701   1.0378   3.5267   0.9856  445.111   45.352  366.724   52.273 78.38736 69.20414 
1 1 1   28    8   16 o  300.592   36.464   2.4181   0.5461   2.8250   0.7794   2.0257   0.7654  328.703   46.121  272.482   56.492 56.22034 72.92822 
1 1 1   28    8   18 o  347.496   42.061   3.2882   0.7069   3.1005   1.1422   3.4048   0.9000  334.809   68.660  360.183   48.603 -25.37433 84.12200 
1 1 1   28    8   20 o  459.584   33.118   5.5489   0.7818   5.5962   1.0851   5.4979   1.1273  461.854   45.697  457.313   47.948 4.541077 66.23651 
1 1 1   28    8   22 o  242.779   47.321   1.6314   0.6074   1.7481   0.9074   1.5368   0.8175  250.227   68.523  235.332   65.280 14.89561 94.64112 
1 1 1   28    8   24 o  1013.15   42.605   27.551   2.2178   28.939   3.1751   26.230   3.0993  1038.61   59.462  987.691   61.033 50.91821 85.21008 
1 1 1   28    8   26 o  579.500   34.015   9.2102   0.9708   11.700   1.3416   6.4728   1.4067  667.630   39.085  491.371   55.682 176.2588 68.03040 
1 1 1   28    8   28 o  320.345   48.331   3.3378   0.7036   3.8563   0.8189   1.8762   1.3748  382.233   41.671  258.458   87.218 123.7755 96.66128 
1 1 1   28    8   30 o  247.603   45.541   1.7738   0.5356   1.8397   0.6163   1.5702   1.0832  258.759   48.094  236.447   77.349 22.31152 91.08173 
1 1 1   28    8   32 o  403.240   41.542   3.8521   0.7733   3.1881   0.8879   5.9384   1.5738  344.236   50.171  462.242   66.225 -118.0061 83.08372 
1 1 1   28    8   34 o  309.500   47.405   2.4783   0.6598   2.1407   0.7616   3.4937   1.3208  275.786   55.631  343.215   76.772 -67.42871 94.80951 
1 1 1   28    8   36 o  386.689   71.376   4.3813   1.3667   4.3813   1.3667   0.0000   0.0000  386.689   71.376  ?   ?       ?      ? 
1 1 1   28    8   38 o  179.067   43.677   0.8631   0.4472   0.9215   0.5064   0.6562   0.9533  180.552   51.831  177.583   70.316 2.968887 87.35484 
1 1 1   28    8   40 o  699.709   38.442   12.968   1.1712   12.334   1.3294   15.169   2.4761  678.015   38.136  721.403   66.760 -43.38788 76.88461 
1 1 1   28    8   42 o  334.847   42.994   3.2033   0.6129   3.1235   0.7006   3.4635   1.2649  339.172   40.177  330.522   76.023 8.650391 85.98705 
1 1 1   28    8   44 o  497.438   38.413   6.4674   0.8433   5.8749   0.9559   8.5473   1.7909  463.030   40.155  531.846   65.497 -68.81564 76.82672 
1 1 1   28    9    1 o  741.146   53.920   14.614   2.0477   15.888   2.8877   13.327   2.9041  774.819   72.490  707.474   79.841 67.34509 107.8394 
1 1 1   28    9    3 o  1099.23   43.146   31.917   2.2094   31.232   4.0775   32.202   2.6287  1085.89   73.036  1112.57   45.956 -26.67285 86.29173 
1 1 1   28    9    5 o  781.986   40.007   14.739   1.4835   19.408   2.8235   12.959   1.7435  858.705   63.956  705.267   48.084 153.4383 80.01495 
1 1 1   28    9    7 o  737.800   44.582   14.256   1.6556   14.698   2.6399   13.970   2.1255  745.485   68.877  730.114   56.624 15.37128 89.16447 
1 1 1   28    9    9 o  148.616   37.828   0.4860   0.3469   0.4569   0.6423   0.4980   0.4122  154.794   58.679  142.439   47.756 12.35477 75.65633 
1 1 1   28    9   11 o  400.055   52.931   4.1986   1.0540   3.4234   1.3620   5.3564   1.6644  351.483   77.458  448.627   72.159 -97.14487 105.8613 
1 1 1   28    9   13 o  410.010   34.939   4.3725   0.7304   5.2233   1.0749   3.6428   0.9955  447.223   46.748  372.798   51.938 74.42477 69.87777 
1 1 1   28    9   15 o  711.815   32.999   13.254   1.2069   13.803   1.7085   12.707   1.7051  726.788   45.723  696.843   47.594 29.94513 65.99879 
1 1 1   28    9   17 o  862.398   32.584   19.494   1.4428   20.422   2.0271   18.541   2.0540  883.717   44.616  841.080   47.501 42.63721 65.16788 
1 1 1   28    9   19 o  231.671   43.691   1.5799   0.5583   0.7447   0.9282   2.0536   0.6989  188.296   70.727  275.045   51.315 -86.74821 87.38145 
1 1 1   28    9   21 o  155.404   38.982   0.5669   0.3905   0.4477   0.6090   0.6501   0.5088  150.738   57.138  160.071   53.044 -9.333176 77.96435 
1 1 1   28    9   23 o  398.727   51.986   4.6839   0.8671   4.9264   0.9945   3.9150   1.7708  432.639   44.710  364.815   93.868 67.82468 103.9717 
1 1 1   28    9   25 o  413.699   50.765   4.6417   1.0457   4.0149   1.3541   5.5678   1.6460  376.950   72.501  450.448   71.076 -73.49802 101.5297 
1 1 1   28    9   27 o  348.385   41.475   2.8441   0.6601   2.2998   0.7591   4.5320   1.3369  289.075   53.033  407.696   63.783 -118.6209 82.95013 
1 1 1   28    9   29 o  224.984   41.491   1.6849   0.5229   2.1142   0.5857   0.0000   1.1605  283.026   40.254  166.943   72.565 116.0826 82.98216 
1 1 1   28    9   31 o  246.368   48.186   1.6240   0.5533   1.5306   0.6264   1.9553   1.1799  233.818   53.293  258.918   80.295 -25.09927 96.37122 
1 1 1   28    9   33 o  351.615   49.904   3.6813   0.7650   3.8275   0.8840   3.2451   1.5272  378.277   45.452  324.953   88.857 53.32358 99.80718 
1 1 1   28    9   35 o  444.131   82.669   5.9371   1.8182   0.0000   0.0000   5.9371   1.8182  ?   ?   444.131   82.669      ?      ? 
1 1 1   28    9   37 o  177.514   39.307   0.9635   0.3763   1.1176   0.4053   0.0000   1.0135  201.168   40.589  153.859   67.326 47.30879 78.61464 
1 1 1   28    9   39 o  226.446   44.943   1.2381   0.4311   1.0874   0.4697   2.0431   1.0858  195.899   47.197  256.992   76.498 -61.09370 89.88647 
1 1 1   28    9   41 o  159.698   38.769   0.7287   0.3658   0.8670   0.3991   0.0000   0.9158  174.816   44.335  144.580   63.613 30.23587 77.53856 
1 1 1   28    9   43 o  273.058   35.863   1.5898   0.4356   1.0532   0.4905   3.5930   0.9476  190.119   49.641  355.996   51.773 -165.8771 71.72594 
1 1 1   28    9   45 o  184.657   43.087   0.8998   0.4455   0.6602   0.5300   1.4773   0.8226  154.177   54.073  215.137   67.098 -60.96054 86.17458 
1 1 1   28   10    0 o  920.503   50.774   22.141   2.3862   0.0000   0.0000   22.141   2.3862  920.503   50.774  920.503   50.774 -0.000000 0.000000 
1 1 1   28   10    2 o  1184.16   34.817   36.550   2.1078   36.633   3.1527   36.483   2.8344  1184.49   51.770  1183.81   46.571 0.6804199 69.63427 
1 1 1   28   10    4 o  365.610   41.267   3.0885   0.7105   4.6286   1.3892   2.5429   0.8269  419.167   64.462  312.053   51.540 107.1146 82.53356 
1 1 1   28   10    6 o  200.285   43.836   1.1002   0.5074   0.5203   0.9152   1.3575   0.6097  177.123   69.278  223.447   53.730 -46.32388 87.67182 
1 1 1   28   10    8 o  425.383   45.396   4.6981   0.9718   5.1443   1.5689   4.4204   1.2380  440.606   69.258  410.160   58.706 30.44601 90.79135 
1 1 1   28   10   10 f  386.796   41.894   3.7726   0.7788   4.4067   1.4160   3.4976   0.9325  407.768   67.542  365.824   49.583 41.94406 83.78737 
1 1 1   28   10   12 o  774.433   46.597   15.627   1.6622   15.285   1.9492   16.536   3.1823  764.327   49.602  784.540   78.897 -20.21338 93.19400 
1 1 1   28   10   14 o  396.638   34.105   4.1081   0.6942   4.4748   1.0067   3.7757   0.9585  413.601   47.341  379.675   49.106 33.92593 68.20982 
1 1 1   28   10   16 o  197.694   36.400   1.0954   0.4039   0.4686   0.6092   1.5871   0.5396  152.675   57.310  242.712   44.894 -90.03735 72.80045 
1 1 1   28   10   18 o  615.424   42.446   10.291   1.2507   9.3980   2.1536   10.746   1.5363  590.831   70.899  640.017   46.689 -49.18573 84.89116 
1 1 1   28   10   20 o  235.484   39.975   1.5912   0.4747   1.8293   0.6022   1.2003   0.7716  260.106   46.752  210.862   64.856 49.24446 79.95039 
1 1 1   28   10   22 o  324.525   47.018   2.2724   0.6442   1.7673   0.7162   4.4145   1.4749  252.890   56.506  396.160   75.164 -143.2704 94.03533 
1 1 1   28   10   24 o  578.089   44.758   8.8202   1.1272   8.6297   1.2854   9.4546   2.3453  572.367   43.681  583.810   78.136 -11.44312 89.51676 
1 1 1   28   10   26 o  585.457   45.117   9.5682   1.1583   9.8260   1.3428   8.8187   2.2898  610.226   42.802  560.688   79.436 49.53760 90.23300 
1 1 1   28   10   28 o  450.760   43.357   5.4597   0.8790   5.3767   1.0200   5.6989   1.7324  450.397   44.050  451.122   74.693 -0.7255859 86.71489 
1 1 1   28   10   30 o  305.546   49.134   2.4583   0.6515   2.3094   0.7325   3.0225   1.4256  293.733   48.502  317.360   85.465 -23.62634 98.26823 
1 1 1   28   10   32 o  709.910   45.747   14.497   1.4260   15.093   1.6636   12.846   2.7689  753.119   42.964  666.701   80.780 86.41785 91.49472 
1 1 1   28   10   34 o  298.221   49.210   2.7844   0.6747   3.0201   0.7718   2.0207   1.3894  335.779   44.710  260.663   87.679 75.11591 98.42101 
1 1 1   28   10   36 o  148.730   49.273   0.5826   0.4390   0.5826   0.4390   0.0000   0.0000  148.730   49.273  ?   ?       ?      ? 
1 1 1   28   10   38 o  308.594   51.158   2.8494   0.7191   2.8654   0.8237   2.7979   1.4743  323.282   49.556  293.905   89.514 29.37708 102.3157 
1 1 1   28   10   40 o  159.905   41.490   0.4635   0.3047   0.3925   0.3223   1.0596   0.9344  123.842   42.227  195.967   71.431 -72.12481 82.97950 
1 1 1   28   10   42 o  148.020   39.256   0.5111   0.3073   0.5302   0.3265   0.3628   0.9095  138.309   42.126  157.731   66.254 -19.42197 78.51237 
1 1 1   28   10   44 o  123.189   35.938   0.2618   0.2966   0.3061   0.3207   0.0000   0.7796  113.907   41.801  132.471   58.470 -18.56358 71.87531 
1 1 1   28   11    1 o  733.023   35.254   14.025   1.3238   13.961   1.9540   14.081   1.7999  730.977   51.993  735.068   47.626 -4.090332 70.50871 
1 1 1   28   11    3 o  570.028   35.374   8.6190   1.0161   7.6131   1.5413   9.3921   1.3513  539.116   55.609  600.940   43.736 -61.82428 70.74725 
1 1 1   28   11    5 o  525.243   48.782   7.8778   1.0927   6.3825   2.0734   8.4528   1.2857  480.493   87.143  569.993   43.874 -89.49997 97.56425 
1 1 1   28   11    7 o  372.818   48.525   3.6881   0.8779   3.9633   1.4616   3.5327   1.0980  378.962   77.629  366.674   58.245 12.28757 97.04985 
1 1 1   28   11    9 o  826.912   40.859   17.833   1.6126   18.376   2.8905   17.588   1.9432  832.599   67.526  821.224   46.024 11.37518 81.71873 
1 1 1   28   11   11 o  473.323   34.831   5.8366   0.8448   6.5476   1.2350   5.2113   1.1582  500.512   47.992  446.134   50.493 54.37823 69.66225 
1 1 1   28   11   13 o  377.127   50.176   3.8961   0.8596   3.9374   1.0189   3.7939   1.6011  387.428   51.154  366.827   86.335 20.60159 100.3511 
1 1 1   28   11   15 o  363.833   41.942   3.2253   0.7267   4.5613   1.3332   2.6606   0.8668  414.423   62.571  313.243   55.870 101.1794 83.88432 
1 1 1   28   11   17 o  169.102   60.731   0.6552   0.6721   0.6552   0.6721   0.0000   0.0000  169.102   60.731  ?   ?       ?      ? 
1 1 1   28   11   19 o  493.019   45.364   6.3799   1.1498   6.3799   1.1498   0.0000   0.0000  493.019   45.364  ?   ?       ?      ? 
1 1 1   28   11   21 o  259.116   51.067   1.4348   0.5619   1.1775   0.6130   2.7878   1.4056  206.885   56.178  311.346   85.295 -104.4613 102.1331 
1 1 1   28   11   23 o  530.563   47.806   7.5997   1.0704   7.5611   1.2103   7.7385   2.2934  535.852   43.931  525.274   84.922 10.57739 95.61211 
1 1 1   28   11   25 o  314.796   56.810   2.7235   0.8886   2.3270   1.0937   3.4934   1.5240  284.843   74.013  344.748   86.207 -59.90515 113.6202 
1 1 1   28   11   27 o  579.604   38.649   7.4704   1.0247   5.8235   1.1675   12.994   2.1383  467.443   48.581  691.765   60.122 -224.3219 77.29720 
1 1 1   28   11   29 o  463.345   40.111   5.1243   0.8676   4.2727   1.0039   7.6358   1.7241  399.615   48.865  527.074   63.623 -127.4593 80.22247 
1 1 1   28   11   31 o  665.392   39.969   10.866   1.2295   9.5046   1.4194   14.959   2.4607  596.320   46.296  734.463   65.167 -138.1433 79.93781 
1 1 1   28   11   33 o  223.386   47.365   1.1442   0.6248   0.4057   0.7813   2.4539   1.0405  157.348   63.206  289.425   70.561 -132.0766 94.73035 
1 1 1   28   11   35 o  490.716   44.960   6.4746   1.1343   6.4746   1.1343   0.0000   0.0000  490.716   44.960  ?   ?       ?      ? 
1 1 1   28   11   37 o  202.684   43.547   1.2878   0.5033   1.5439   0.5682   0.3552   1.0844  234.170   48.783  171.198   72.151 62.97212 87.09451 
1 1 1   28   11   39 o  477.605   55.933   8.0700   1.0880   9.4166   1.2881   4.7163   2.0328  589.631   42.491  365.580  103.482 224.0511 111.8661 
1 1 1   28   11   41 o  123.395   36.211   0.1699   0.2988   0.1282   0.3290   0.3662   0.7139   99.871   40.691  146.920   59.909 -47.04887 72.42181 
1 1 1   28   11   43 o  226.216   46.509   1.3523   0.5133   1.0633   0.5897   2.2563   1.0429  189.005   56.402  263.426   73.967 -74.42139 93.01782 
1 1 1   28   12    0 o  660.407   49.666   11.485   1.6644   11.485   1.6644   0.0000   0.0000  660.407   49.666  660.407   49.666 0.000000 0.000000 
1 1 1   28   12    2 o  297.014   39.135   2.4246   0.5690   1.9891   0.8757   2.7428   0.7486  269.444   64.139  324.584   44.861 -55.13925 78.27024 
1 1 1   28   12    4 o  623.924   42.922   10.145   1.2318   10.473   2.3519   10.021   1.4460  627.597   72.889  620.252   45.346 7.344788 85.84337 
1 1 1   28   12    6 o  371.440   43.785   3.3712   0.7345   4.4642   1.4544   2.9970   0.8509  404.116   72.674  338.764   48.857 65.35233 87.56981 
1 1 1   28   12    8 f  354.304   46.516   3.1631   0.8098   4.8294   1.3264   2.1727   1.0225  428.068   60.267  280.541   70.872 147.5272 93.03189 
1 1 1   28   12   10 o  397.801   58.769   4.7750   1.1851   6.5306   1.5578   2.3631   1.8259  497.306   60.928  298.296  100.514 199.0107 117.5388 
1 1 1   28   12   12 o  241.827   50.471   1.5095   0.6113   1.4252   0.7098   1.7515   1.2027  228.144   59.793  255.511   81.326 -27.36736 100.9412 
1 1 1   28   12   14 f  459.989   58.537   5.7538   1.3479   4.9479   1.7972   6.7898   2.0378  419.112   86.280  500.866   79.135 -81.75400 117.0746 
1 1 1   28   12   16 o  565.309   71.166   8.5977   2.0684   8.5977   2.0684   0.0000   0.0000  565.309   71.166  ?   ?       ?      ? 
1 1 1   28   12   18 o  153.535   52.901   0.5720   0.5062   0.5720   0.5062   0.0000   0.0000  153.535   52.901  ?   ?       ?      ? 
1 1 1   28   12   20 o  227.180   47.742   1.5161   0.5514   1.6928   0.6092   0.7147   1.2972  249.188   49.295  205.173   81.776 44.01581 95.48487 
1 1 1   28   12   22 o  295.113   46.269   1.8849   0.4872   1.7083   0.5179   3.2447   1.4373  255.347   39.450  334.878   83.709 -79.53058 92.53893 
1 1 1   28   12   24 o  410.371   53.683   5.0360   0.7474   5.1525   0.8053   4.3114   2.0077  443.926   35.283  376.816  101.403 67.10971 107.3662 
1 1 1   28   12   26 o  236.624   46.901   1.5858   0.5505   1.6339   0.6379   1.4454   1.0895  242.734   52.633  230.514   77.644 12.21997 93.80215 
1 1 1   28   12   28 o  604.958   39.699   8.7319   1.1039   7.4666   1.2667   12.726   2.2506  529.444   46.536  680.471   64.332 -151.0268 79.39892 
1 1 1   28   12   30 o  284.321   43.983   2.3070   0.5108   2.3413   0.5659   2.1560   1.1868  298.129   36.919  270.512   79.844 27.61658 87.96626 
1 1 1   28   12   32 o  228.775   48.731   1.3307   0.5174   1.2245   0.5728   1.8019   1.2064  208.593   53.232  248.958   81.640 -40.36414 97.46118 
1 1 1   28   12   34 f  238.968   38.935   1.5168   0.4784   1.5168   0.4784   0.0000   0.0000  238.968   38.935  ?   ?       ?      ? 
1 1 1   28   12   36 o  297.557   47.572   2.7259   0.6681   2.9428   0.7886   2.1743   1.2575  329.597   46.537  265.516   82.986 64.08115 95.14366 
1 1 1   28   12   38 f  264.108   45.045   2.4786   0.6202   3.0000   0.7070   0.7369   1.2922  333.664   41.214  194.552   80.110 139.1123 90.09005 
1 1 1   28   12   40 o  285.751   43.559   1.9477   0.5067   1.6466   0.5572   3.3855   1.2176  241.293   46.606  330.209   73.602 -88.91583 87.11703 
1 1 1   28   12   42 o  192.107   40.646   1.1287   0.3799   1.1971   0.4135   0.7589   0.9613  206.458   40.405  177.757   70.540 28.70125 81.29241 
1 1 1   28   12   44 o  217.372   46.582   1.4254   0.4950   1.3930   0.5519   1.5586   1.1189  217.075   50.419  217.668   78.342 -0.5923004 93.16430 
1 1 1   28   13    1 o  127.034   25.818   0.4177   0.2033   0.6866   0.2684   0.0560   0.3114  159.861   33.720   94.207   39.105 65.65434 51.63585 
1 1 1   28   13    3 o  213.662   45.582   1.0737   0.4056   1.0375   0.4334   1.3290   1.1513  195.833   44.108  231.491   79.783 -35.65794 91.16377 
1 1 1   28   13    5 f  605.325   73.836   9.7709   2.2979   9.7709   2.2979   0.0000   0.0000  605.325   73.836  ?   ?       ?      ? 
1 1 1   28   13    7 o  286.255   81.937   2.2652   1.2671   2.2652   1.2671   0.0000   0.0000  286.255   81.937  ?   ?       ?      ? 
1 1 1   28   13    9 o  966.166   46.561   23.594   2.2401   20.325   2.7775   29.676   3.7891  876.886   61.608  1055.44   69.828 -178.5594 93.12099 
1 1 1   28   13   11 o  448.343   90.090   5.6625   2.0046   0.0000   0.0000   5.6625   2.0046  ?   ?   448.343   90.090      ?      ? 
1 1 1   28   13   13 o  185.516   47.982   0.9355   0.4611   0.9355   0.4611   0.0000   0.0000  185.516   47.982  ?   ?       ?      ? 
1 1 1   28   13   15 o  181.675   46.905   0.8978   0.4411   0.8978   0.4411   0.0000   0.0000  181.675   46.905  ?   ?       ?      ? 
1 1 1   28   13   17 o  455.472   42.200   5.0835   0.7735   4.8341   0.8510   6.2695   1.8559  430.477   38.449  480.466   75.133 -49.98907 84.39957 
1 1 1   28   13   19 o  207.283   46.362   1.2561   0.5202   1.4721   0.5631   0.0000   1.3580  232.177   48.730  182.389   78.888 49.78783 92.72498 
1 1 1   28   13   21 o  322.372   46.312   2.3448   0.5327   2.1566   0.5686   3.6962   1.5234  287.066   38.523  357.678   84.233 -70.61200 92.62391 
1 1 1   28   13   23 o  390.480   51.017   4.1090   0.6772   4.0551   0.7254   4.4748   1.8901  393.786   35.828  387.173   95.538 6.613312 102.0347 
1 1 1   28   13   25 o  1004.42   41.824   26.430   1.6202   25.992   1.7754   28.610   3.9620  996.664   34.648  1012.17   76.135 -15.50983 83.64853 
1 1 1   28   13   27 o  434.493   52.404   5.8115   0.9348   6.2507   1.0784   4.4841   1.8748  485.755   43.179  383.231   95.500 102.5242 104.8079 
1 1 1   28   13   29 o  301.500   48.260   2.7038   0.6560   2.8447   0.7526   2.2582   1.3385  326.876   44.784  276.125   85.502 50.75134 96.52033 
1 1 1   28   13   31 o  455.480   47.946   5.8076   0.9147   5.7635   1.0462   5.9508   1.8851  465.001   43.760  445.960   85.325 19.04156 95.89248 
1 1 1   28   13   33 o  196.279   45.727   1.0728   0.4529   1.0728   0.4529   0.0000   0.0000  196.279   45.727  ?   ?       ?      ? 
1 1 1   28   13   35 o  153.833   38.396   0.5858   0.3089   0.6195   0.3328   0.3767   0.8296  149.837   41.682  157.828   64.495 -7.991302 76.79157 
1 1 1   28   13   37 o  383.544   48.257   4.5341   0.8175   4.8591   0.9736   3.7573   1.5052  423.385   44.726  343.702   85.526 79.68304 96.51471 
1 1 1   28   13   39 o  203.257   46.520   1.0645   0.4701   0.9506   0.5246   1.5282   1.0586  181.967   52.910  224.547   76.530 -42.58026 93.03928 
1 1 1   28   13   41 o  173.966   42.752   0.5217   0.3293   0.3879   0.3498   1.5597   0.9742  124.400   43.908  223.531   73.368 -99.13065 85.50334 
1 1 1   28   13   43 o  138.111   40.223   0.2165   0.2944   0.1531   0.3100   0.7988   0.9394   99.146   39.817  177.076   69.900 -77.92999 80.44528 
1 1 1   28   14    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14    2 o  447.405   44.117   5.2154   1.0148   5.2154   1.0148   0.0000   0.0000  447.405   44.117  ?   ?       ?      ? 
1 1 1   28   14    4 f  469.982   57.031   5.8090   1.3780   5.8090   1.3780   0.0000   0.0000  469.982   57.031  ?   ?       ?      ? 
1 1 1   28   14    6 o  381.565   57.823   3.8340   1.1343   3.8340   1.1343   0.0000   0.0000  381.565   57.823  ?   ?       ?      ? 
1 1 1   28   14    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14   10 o  223.585   59.961   1.3676   0.7034   1.3676   0.7034   0.0000   0.0000  223.585   59.961  ?   ?       ?      ? 
1 1 1   28   14   12 o  785.826   37.734   16.068   1.5245   16.068   1.5245   0.0000   0.0000  785.826   37.734  ?   ?       ?      ? 
1 1 1   28   14   14 o  295.178   48.380   2.5990   0.5766   2.7354   0.6298   1.8921   1.4338  324.079   37.797  266.277   89.072 57.80197 96.75928 
1 1 1   28   14   16 o  326.450   52.804   3.4178   0.7612   3.8073   0.8538   1.9079   1.6810  381.252   43.557  271.648   96.206 109.6040 105.6073 
1 1 1   28   14   18 o  219.640   46.928   1.4313   0.5760   1.7238   0.6513   0.3804   1.2344  250.885   52.193  188.395   78.004 62.49046 93.85504 
1 1 1   28   14   20 o  300.384   49.485   2.1157   0.5130   2.0055   0.5421   3.0605   1.5870  276.913   38.076  323.855   91.352 -46.94223 98.96996 
1 1 1   28   14   22 o  491.627   50.840   6.5877   0.8417   6.5421   0.9053   6.8779   2.2843  500.383   35.192  482.870   95.397 17.51328 101.6809 
1 1 1   28   14   24 o  732.256   44.246   14.248   1.2078   14.101   1.3150   15.041   3.0545  734.153   34.839  730.359   81.345 3.793030 88.49131 
1 1 1   28   14   26 o  281.108   48.258   1.9193   0.5146   1.8050   0.5515   2.6887   1.4309  261.473   41.029  300.743   87.361 -39.27078 96.51620 
1 1 1   28   14   28 o  352.532   51.212   4.3205   0.6888   4.7251   0.7552   2.3182   1.6800  424.309   34.617  280.756   96.397 143.5526 102.4238 
1 1 1   28   14   30 o  303.686   45.952   2.3896   0.6111   2.1963   0.6934   3.0620   1.2933  286.363   47.099  321.008   78.919 -34.64456 91.90443 
1 1 1   28   14   32 o  462.879   36.107   5.6563   0.8593   5.6563   0.8593   0.0000   0.0000  462.879   36.107  ?   ?       ?      ? 
1 1 1   28   14   34 o  231.600   40.396   1.8652   0.4756   2.2192   0.5295   0.3866   1.0821  289.618   35.560  173.582   72.546 116.0362 80.79295 
1 1 1   28   14   36 o  310.418   47.084   3.2757   0.6160   3.6151   0.6905   1.9517   1.3637  368.645   36.431  252.193   86.836 116.4520 94.16840 
1 1 1   28   14   38 o  321.246   47.306   3.0258   0.6951   2.9915   0.8173   3.1157   1.3216  329.831   48.198  312.661   81.415 17.17007 94.61209 
1 1 1   28   14   40 o  150.591   37.917   0.3178   0.2691   0.1952   0.2874   1.1881   0.7659  101.103   39.022  200.079   65.023 -98.97612 75.83370 
1 1 1   28   14   42 o  153.247   40.900   0.5905   0.3339   0.6458   0.3492   0.0000   1.1404  150.758   42.967  155.736   69.607 -4.977936 81.80064 
1 1 1   28   15    1 o  842.726   77.075   19.047   3.3394   0.0000   0.0000   19.047   3.3394  ?   ?   842.726   77.075      ?      ? 
1 1 1   28   15    3 o  775.532   42.564   14.761   1.4968   13.628   1.7190   18.316   3.0439  722.416   46.282  828.648   71.448 -106.2320 85.12814 
1 1 1   28   15    5 o  576.513   46.409   8.2389   1.3255   6.6988   1.6302   11.243   2.2769  502.981   63.039  650.046   68.128 -147.0650 92.81868 
1 1 1   28   15    7 o  385.212   51.660   4.3202   0.8463   4.5864   0.9753   3.5083   1.7032  419.043   45.268  351.382   92.875 67.66031 103.3198 
1 1 1   28   15    9 o  461.858   73.003   5.7232   1.7335   5.7232   1.7335   0.0000   0.0000  461.858   73.003  ?   ?       ?      ? 
1 1 1   28   15   11 o  260.453   49.816   1.6579   0.5602   1.5337   0.6171   2.2406   1.3363  237.061   52.056  283.845   84.950 -46.78360 99.63103 
1 1 1   28   15   13 o  210.574   40.935   1.4029   0.4446   1.6503   0.4822   0.0000   1.1482  251.759   37.253  169.389   72.903 82.36977 81.86909 
1 1 1   28   15   15 o  194.454   41.546   1.1371   0.4335   1.3463   0.4717   0.0000   1.0997  223.273   42.643  165.634   71.316 57.63918 83.09257 
1 1 1   28   15   17 o  300.674   51.299   2.5246   0.6904   2.5686   0.7787   2.3632   1.4922  312.116   48.527  289.232   90.396 22.88452 102.5976 
1 1 1   28   15   19 o  768.642   48.598   16.426   1.5740   16.758   1.7909   15.300   3.2995  798.371   43.630  738.913   86.852 59.45795 97.19512 
1 1 1   28   15   21 o  368.095   55.094   3.9994   0.6881   4.0643   0.7332   3.5195   1.9937  394.256   36.172  341.935  104.082 52.32138 110.1889 
1 1 1   28   15   23 o  256.611   50.371   1.6285   0.4744   1.5931   0.4981   1.9743   1.5571  246.208   39.347  267.014   92.740 -20.80551 100.7422 
1 1 1   28   15   25 o  233.899   47.793   1.4780   0.4412   1.5066   0.4630   1.1965   1.4541  239.422   37.617  228.376   87.874 11.04535 95.58700 
1 1 1   28   15   27 o  393.168   49.817   3.9653   0.8078   3.6699   0.9022   5.1602   1.8144  370.753   47.329  415.584   87.676 -44.83145 99.63472 
1 1 1   28   15   29 o  543.151   51.937   7.5995   1.3146   4.6421   1.6259   13.182   2.2339  395.112   82.694  691.190   62.862 -296.0780 103.8746 
1 1 1   28   15   31 o  129.649   39.851   0.4478   0.2914   0.4478   0.2914   0.0000   0.0000  129.649   39.851  ?   ?       ?      ? 
1 1 1   28   15   33 o  188.585   40.680   0.9986   0.3809   1.0455   0.4228   0.7967   0.8778  194.039   43.457  183.131   68.781 10.90839 81.35928 
1 1 1   28   15   35 o  400.597   44.936   4.3201   0.7905   4.0293   0.9113   5.2044   1.5891  385.709   45.952  415.485   77.235 -29.77582 89.87153 
1 1 1   28   15   37 f  178.044   43.547   0.8516   0.4556   0.8678   0.5350   0.8089   0.8691  175.318   54.016  180.770   68.321 -5.452225 87.09470 
1 1 1   28   15   39 o  226.857   51.120   1.6004   0.6870   1.8944   0.9101   1.2108   1.0476  248.038   68.903  205.677   75.533 42.36098 102.2394 
1 1 1   28   15   41 o  242.022   40.788   2.2016   0.5126   2.6382   0.5716   0.4104   1.1578  312.861   35.538  171.184   73.429 141.6765 81.57677 
1 1 1   28   15   43 f  230.390   42.942   1.5142   0.4899   1.5142   0.4899   0.0000   0.0000  230.390   42.942  ?   ?       ?      ? 
1 1 1   28   16    0 o  754.054   81.382   15.471   3.0620   15.471   3.0620   0.0000   0.0000  754.054   81.382  754.054   81.382 0.000000 0.000000 
1 1 1   28   16    2 o  780.813   55.433   16.405   2.2167   14.592   3.0849   18.342   3.1875  734.711   81.670  826.915   74.975 -92.20441 110.8653 
1 1 1   28   16    4 o  1036.97   42.073   26.820   1.7903   25.819   1.9859   31.162   4.1376  996.321   38.769  1077.61   74.682 -81.28961 84.14511 
1 1 1   28   16    6 o  701.153   44.276   12.548   1.3962   12.047   1.6083   14.081   2.8128  678.760   46.088  723.546   75.613 -44.78595 88.55182 
1 1 1   28   16    8 o  434.047   45.286   4.9267   1.0106   4.9267   1.0106   0.0000   0.0000  434.047   45.286  ?   ?       ?      ? 
1 1 1   28   16   10 o  745.207   48.719   15.576   1.5395   16.209   1.7647   13.560   3.1495  787.451   43.590  702.963   87.145 84.48859 97.43881 
1 1 1   28   16   12 o  229.971   46.794   1.4743   0.5233   1.5539   0.5876   1.1690   1.1504  238.931   49.464  221.012   79.449 17.91936 93.58813 
1 1 1   28   16   14 f  846.940   48.054   19.992   1.7232   20.604   1.9690   17.989   3.5621  886.930   43.180  806.950   85.861 79.98047 96.10715 
1 1 1   28   16   16 o  263.764   47.072   2.1403   0.5383   2.3103   0.5855   1.2108   1.3692  297.408   38.291  230.120   86.005 67.28813 94.14437 
1 1 1   28   16   18 o  640.546   42.367   9.9452   1.2195   8.9485   1.3892   13.295   2.5467  582.575   46.380  698.518   70.914 -115.9429 84.73445 
1 1 1   28   16   20 o  449.255   56.231   5.9980   0.8258   6.1083   0.8855   5.2611   2.2886  483.475   35.622  415.035  106.671 68.43973 112.4620 
1 1 1   28   16   22 o  255.446   47.169   1.2510   0.4117   1.0946   0.4316   2.8287   1.3709  200.042   43.227  310.850   83.851 -110.8082 94.33752 
1 1 1   28   16   24 o  270.078   45.530   1.0133   0.4160   0.7349   0.4345   4.0795   1.4419  164.443   48.246  375.712   77.229 -211.2690 91.06044 
1 1 1   28   16   26 o  735.035   48.890   15.623   1.2840   15.920   1.3981   14.023   3.2455  778.913   34.912  691.157   91.336 87.75562 97.78093 
1 1 1   28   16   28 o  196.753   60.547   1.0728   0.6724   1.0728   0.6724   0.0000   0.0000  196.753   60.547  ?   ?       ?      ? 
1 1 1   28   16   30 o  344.773   36.169   3.1350   0.6411   3.1350   0.6411   0.0000   0.0000  344.773   36.169  ?   ?       ?      ? 
1 1 1   28   16   32 o  318.866   42.929   2.4030   0.5229   2.1754   0.5674   3.6864   1.3473  286.282   38.552  351.450   76.717 -65.16782 85.85854 
1 1 1   28   16   34 o  433.518   39.695   4.4437   0.6982   4.0141   0.7647   6.5958   1.7117  388.206   38.316  478.831   69.532 -90.62534 79.38970 
1 1 1   28   16   36 o  181.233   42.235   0.9558   0.4541   1.1314   0.5226   0.4145   0.9174  199.011   50.883  163.454   67.424 35.55675 84.46936 
1 1 1   28   16   38 o  288.868   49.815   2.4090   0.6644   2.2281   0.7706   2.9327   1.3112  276.957   56.045  300.779   82.370 -23.82196 99.62906 
1 1 1   28   16   40 o  210.054   38.812   1.5078   0.4357   1.7877   0.4884   0.4182   0.9639  257.329   36.920  162.779   68.281 94.54976 77.62318 
1 1 1   28   16   42 o   98.815   41.079   0.1012   0.3443   0.1012   0.3443   0.0000   0.0000   98.815   41.079  ?   ?       ?      ? 
1 1 1   28   17    1 o  656.489   56.753   11.672   1.9123   12.376   2.6997   10.963   2.7092  677.484   77.509  635.493   82.920 41.99042 113.5051 
1 1 1   28   17    3 o  456.326   58.747   5.7407   1.3462   5.1700   1.8860   6.3335   1.9221  428.021   88.622  484.631   77.141 -56.60971 117.4934 
1 1 1   28   17    5 o  897.467   41.884   19.578   1.7236   17.697   1.9862   25.314   3.4684  822.114   46.991  972.820   69.346 -150.7065 83.76762 
1 1 1   28   17    7 o  753.115   44.146   14.473   1.4879   13.877   1.7092   16.339   3.0230  728.131   45.659  778.099   75.568 -49.96741 88.29110 
1 1 1   28   17    9 o  452.325   61.230   5.8424   1.3637   6.5036   1.7982   4.9475   2.0921  491.763   71.125  412.888   99.687 78.87537 122.4594 
1 1 1   28   17   11 f  366.790   50.995   3.5683   0.7788   3.4735   0.8748   3.9307   1.7097  363.769   46.776  369.811   90.630 -6.042755 101.9895 
1 1 1   28   17   13 o  358.358   52.644   3.9704   0.7343   4.2130   0.8092   2.8393   1.7476  401.670   39.186  315.045   97.724 86.62500 105.2877 
1 1 1   28   17   15 o  210.275   47.282   1.0603   0.4374   1.0342   0.4682   1.2388   1.2250  194.404   47.297  226.146   81.887 -31.74219 94.56457 
1 1 1   28   17   17 o  262.861   45.876   1.7426   0.4660   1.6905   0.5006   2.0811   1.2757  254.216   38.300  271.506   83.375 -17.29057 91.75137 
1 1 1   28   17   19 o  528.412   55.224   8.5013   1.1364   9.0434   1.2914   6.6423   2.3917  586.144   42.855  470.679  101.796 115.4656 110.4489 
1 1 1   28   17   21 o  365.949   49.521   3.4530   0.6266   3.3480   0.6705   4.1765   1.7601  357.514   36.479  374.385   92.080 -16.87088 99.04260 
1 1 1   28   17   23 o  254.274   48.423   1.2126   0.4273   1.0414   0.4482   2.9216   1.4160  194.422   45.625  314.125   85.425 -119.7035 96.84521 
1 1 1   28   17   25 o  493.587   61.316   9.0034   0.9922   9.7975   1.0786   4.6359   2.5295  611.322   34.319  375.853  117.732 235.4686 122.6324 
1 1 1   28   17   27 o  317.412   44.276   2.6820   0.7225   2.6820   0.7225   0.0000   0.0000  317.412   44.276  ?   ?       ?      ? 
1 1 1   28   17   29 o  363.842   53.176   3.8409   0.7692   3.8468   0.8508   3.8142   1.8005  379.857   43.565  347.827   97.019 32.03021 106.3518 
1 1 1   28   17   31 o  206.408   42.960   1.1065   0.3870   1.0763   0.4192   1.2812   1.0081  197.310   42.570  215.507   74.634 -18.19699 85.92087 
1 1 1   28   17   33 o  269.672   45.028   1.8173   0.4758   1.6931   0.5150   2.5417   1.2438  251.902   39.766  287.443   80.801 -35.54117 90.05647 
1 1 1   28   17   35 o  283.188   46.093   2.8519   0.5744   3.1891   0.6331   1.2798   1.3670  346.324   35.554  220.051   85.054 126.2733 92.18626 
1 1 1   28   17   37 o  264.055   44.379   2.3844   0.5252   2.6311   0.5813   1.2877   1.2255  313.687   36.047  214.423   81.109 99.26454 88.75801 
1 1 1   28   17   39 o  139.397   38.347   0.3997   0.3437   0.3903   0.3882   0.4340   0.7395  127.033   46.083  151.762   61.305 -24.72928 76.69387 
1 1 1   28   17   41 o  142.960   44.304   0.5737   0.3593   0.5737   0.3593   0.0000   0.0000  142.960   44.304  ?   ?       ?      ? 
1 1 1   28   18    0 o  169.068   86.820   1.1124   0.9606   0.0000   0.0000   1.1124   0.9606  169.068   86.820  169.068   86.820 -0.000000 0.000000 
1 1 1   28   18    2 o  576.442   56.470   9.0258   1.6708   9.3130   2.3248   8.7190   2.4029  586.989   77.035  565.896   82.590 21.09271 112.9405 
1 1 1   28   18    4 o  808.107   55.451   17.635   2.2947   15.596   3.1554   19.925   3.3430  757.264   81.048  858.950   75.701 -101.6864 110.9028 
1 1 1   28   18    6 o  959.153   43.450   23.572   1.8832   22.636   2.1753   26.375   3.7628  929.681   45.510  988.625   74.031 -58.94342 86.90092 
1 1 1   28   18    8 o  318.105   47.213   2.6560   0.7721   2.6560   0.7721   0.0000   0.0000  318.105   47.213  ?   ?       ?      ? 
1 1 1   28   18   10 o  478.507   63.515   7.0832   1.4712   9.8516   1.9670   3.5681   2.2164  607.234   63.005  349.781  110.304 257.4529 127.0297 
1 1 1   28   18   12 o  427.397   43.087   3.4682   0.7778   2.2815   0.8631   8.6017   1.7951  287.514   60.312  567.281   61.549 -279.7666 86.17316 
1 1 1   28   18   14 o  605.076   41.713   8.3801   1.0105   7.6491   1.1026   12.217   2.5261  540.731   39.662  669.422   73.396 -128.6902 83.42690 
1 1 1   28   18   16 o  347.402   49.745   3.5648   0.6460   3.6770   0.7055   2.9821   1.6075  375.180   36.575  319.625   92.524 55.55475 99.49043 
1 1 1   28   18   18 o  312.420   51.164   2.5648   0.6746   2.4630   0.7486   3.0042   1.5552  305.013   47.740  319.827   90.509 -14.81467 102.3281 
1 1 1   28   18   20 o  218.497   44.658   1.4222   0.4407   1.5412   0.4663   0.4278   1.3477  242.450   37.410  194.544   81.105 47.90585 89.31693 
1 1 1   28   18   22 o  326.161   52.791   2.9730   0.5974   2.9674   0.6338   3.0180   1.7890  336.277   36.661  316.046   99.013 20.23135 105.5826 
1 1 1   28   18   24 o  188.501   44.355   0.9868   0.4047   1.0855   0.4244   0.0000   1.3417  198.883   42.777  178.120   77.715 20.76350 88.71033 
1 1 1   28   18   26 o  169.641   47.519   0.7925   0.4310   0.7925   0.4310   0.0000   0.0000  169.641   47.519  ?   ?       ?      ? 
1 1 1   28   18   28 o  478.939   54.701   6.4447   1.0066   6.3302   1.1146   6.9513   2.3445  486.996   44.517  470.883   99.934 16.11298 109.4011 
1 1 1   28   18   30 f  174.553   40.571   0.5712   0.2977   0.4752   0.3164   1.3137   0.8799  133.595   41.603  215.510   69.666 -81.91588 81.14223 
1 1 1   28   18   32 o  569.761   41.829   8.1077   0.9364   7.6263   1.0229   10.597   2.3261  536.072   37.116  603.450   74.974 -67.37823 83.65851 
1 1 1   28   18   34 o  193.721   41.554   0.7342   0.3362   0.5799   0.3608   1.7525   0.9271  145.597   44.269  241.845   70.337 -96.24847 83.10848 
1 1 1   28   18   36 o  418.589   48.382   4.8284   0.7492   4.6527   0.8183   5.7392   1.8629  416.390   38.226  420.788   88.894 -4.398682 96.76461 
1 1 1   28   18   38 o  239.893   46.141   1.7195   0.5365   1.6997   0.6210   1.7777   1.0653  242.613   51.388  237.174   76.650 5.439682 92.28178 
1 1 1   28   18   40 o  258.480   50.134   1.9358   0.6422   1.9358   0.6422   0.0000   0.0000  258.480   50.134  ?   ?       ?      ? 
1 1 1   28   19    1 o  262.634   56.923   1.8600   0.8458   1.4902   1.1423   2.3086   1.2582  238.396   79.504  286.872   81.488 -48.47614 113.8467 
1 1 1   28   19    3 o  501.866   59.153   6.9688   1.4787   5.8173   2.0408   8.2412   2.1454  451.985   90.974  551.747   75.631 -99.76218 118.3061 
1 1 1   28   19    5 o  426.084   44.759   4.0080   0.8676   2.8665   1.0002   7.4788   1.7439  323.012   62.485  529.156   64.103 -206.1438 89.51862 
1 1 1   28   19    7 o  423.207   48.595   4.7813   0.8893   4.6752   1.0248   5.1045   1.7890  421.868   47.250  424.546   84.931 -2.678223 97.18943 
1 1 1   28   19    9 o  502.379   45.703   6.6266   1.1804   6.6266   1.1804   0.0000   0.0000  502.379   45.703  ?   ?       ?      ? 
1 1 1   28   19   11 o  387.710   49.099   3.7108   0.7978   3.3925   0.8940   4.9553   1.7680  358.763   48.469  416.656   85.402 -57.89395 98.19789 
1 1 1   28   19   13 o  347.969   47.038   2.8904   0.7066   2.5200   0.7965   4.2593   1.5313  308.673   50.189  387.264   79.570 -78.59146 94.07635 
1 1 1   28   19   15 o  471.529   51.170   5.7701   1.0427   5.4061   1.1913   6.9620   2.1558  451.341   51.338  491.717   88.532 -40.37582 102.3406 
1 1 1   28   19   17 o  370.671   49.201   3.7307   0.6689   3.6902   0.7273   3.9524   1.7026  375.374   37.689  365.968   90.899 9.405457 98.40268 
1 1 1   28   19   19 o  286.330   55.057   2.1226   0.8345   1.3536   1.0404   3.5097   1.3973  224.695   75.871  347.965   79.804 -123.2698 110.1138 
1 1 1   28   19   21 o  361.014   52.993   3.5074   0.6503   3.4459   0.6923   3.9685   1.8956  362.273   37.167  359.755   99.256 2.518127 105.9865 
1 1 1   28   19   23 o  200.799   46.788   1.0374   0.4418   1.0601   0.4728   0.8805   1.2410  195.670   47.478  205.929   80.637 -10.25926 93.57634 
1 1 1   28   19   25 o  451.311   45.782   5.4324   1.0623   5.4324   1.0623   0.0000   0.0000  451.311   45.782  ?   ?       ?      ? 
1 1 1   28   19   27 o  564.837   47.406   8.2417   0.9571   7.9845   1.0288   9.8943   2.6079  550.390   36.359  579.285   87.564 -28.89569 94.81229 
1 1 1   28   19   29 o  299.708   55.514   2.6050   0.8440   2.2919   1.0622   3.1411   1.3901  278.311   73.242  321.104   83.443 -42.79315 111.0274 
1 1 1   28   19   31 o  175.342   41.006   0.5701   0.3007   0.4716   0.3189   1.3574   0.9019  133.071   41.823  217.614   70.547 -84.54318 82.01220 
1 1 1   28   19   33 o  188.911   42.307   0.9533   0.3709   0.9598   0.3997   0.9130   0.9944  185.426   42.798  192.396   72.993 -6.970108 84.61472 
1 1 1   28   19   35 o  148.686   39.294   0.5387   0.3355   0.6141   0.3582   0.0000   0.9578  148.809   43.850  148.563   65.217 0.2451630 78.58770 
1 1 1   28   19   37 o  225.086   46.672   1.3063   0.4153   1.2424   0.4401   1.8275   1.2560  210.466   42.141  239.706   83.289 -29.23990 93.34309 
1 1 1   28   19   39 o  472.822   67.521   6.7523   1.6414   6.7523   1.6414   0.0000   0.0000  472.822   67.521  ?   ?       ?      ? 
1 1 1   28   19   41 o  234.365   44.080   1.5724   0.5116   1.5724   0.5116   0.0000   0.0000  234.365   44.080  ?   ?       ?      ? 
1 1 1   28   20    0 o  100.460   64.935   0.0000   0.7857   0.0000   0.0000   0.0000   0.7857  100.460   64.935  100.460   64.935 -0.000000 0.000000 
1 1 1   28   20    2 o  310.560   57.870   2.6477   0.9843   1.5089   1.3387   3.9879   1.4523  244.234   85.925  376.886   77.540 -132.6522 115.7392 
1 1 1   28   20    4 o  590.790   57.044   9.6007   1.7222   10.229   2.3696   8.8969   2.5073  613.794   75.089  567.786   85.893 46.00842 114.0871 
1 1 1   28   20    6 o  391.302   54.725   4.7255   0.9470   5.2980   1.1139   3.2326   1.7988  448.650   48.291  333.954   98.221 114.6960 109.4501 
1 1 1   28   20    8 o  369.487   47.208   3.5963   0.7646   3.4514   0.8813   4.0374   1.5371  362.127   47.337  376.847   81.692 -14.72009 94.41555 
1 1 1   28   20   10 o  430.082   59.334   5.0268   1.2742   3.9148   1.6511   6.6645   2.0038  367.884   88.397  492.280   79.170 -124.3969 118.6672 
1 1 1   28   20   12 o  710.235   41.978   11.465   1.3334   9.6633   1.5048   18.048   2.8769  604.842   48.392  815.628   68.605 -210.7855 83.95515 
1 1 1   28   20   14 o  185.876   43.939   0.8090   0.3728   0.7984   0.3981   0.8841   1.0627  170.991   44.760  200.760   75.626 -29.76962 87.87876 
1 1 1   28   20   16 o  309.377   50.046   2.6158   0.5657   2.6045   0.6056   2.6930   1.5841  315.366   37.351  303.388   92.862 11.97845 100.0924 
1 1 1   28   20   18 o  436.686   60.506   7.1704   1.0985   8.4143   1.2424   2.7151   2.3513  564.701   42.794  308.671  113.194 256.0300 121.0129 
1 1 1   28   20   20 o  652.549   43.866   10.643   1.2535   9.8353   1.4168   13.553   2.6901  608.928   45.255  696.171   75.159 -87.24286 87.73145 
1 1 1   28   20   22 o  370.941   43.078   3.6468   0.8215   3.6468   0.8215   0.0000   0.0000  370.941   43.078  ?   ?       ?      ? 
1 1 1   28   20   24 o  149.680   42.492   0.6104   0.3422   0.6104   0.3422   0.0000   0.0000  149.680   42.492  ?   ?       ?      ? 
1 1 1   28   20   26 o  457.189   41.342   5.0168   0.7239   4.6918   0.7843   6.8898   1.8825  421.991   36.148  492.386   74.364 -70.39551 82.68400 
1 1 1   28   20   28 o  282.974   41.350   1.3255   0.5444   0.5599   0.6039   4.6457   1.2576  155.631   57.320  410.317   59.612 -254.6853 82.69947 
1 1 1   28   20   30 o  464.217   56.026   7.2405   0.8898   7.6630   0.9736   5.0982   2.1923  538.455   35.168  389.980  106.390 148.4753 112.0521 
1 1 1   28   20   32 o  256.105   47.563   2.0526   0.5163   2.1504   0.5538   1.4024   1.4277  284.073   37.917  228.138   87.243 55.93517 95.12675 
1 1 1   28   20   34 o  390.915   47.699   3.7873   0.6785   3.4843   0.7313   5.6637   1.8198  360.189   39.489  421.642   86.840 -61.45303 95.39716 
1 1 1   28   20   36 o  382.051   53.752   5.2729   0.7917   5.7243   0.8768   3.2806   1.8420  461.750   36.935  302.352  100.960 159.3989 107.5041 
1 1 1   28   20   38 o  464.950   70.711   6.5925   1.6903   6.5925   1.6903   0.0000   0.0000  464.950   70.711  ?   ?       ?      ? 
1 1 1   28   20   40 o  205.094   43.456   0.9859   0.3767   0.8353   0.4064   1.9056   1.0041  169.749   45.596  240.440   73.991 -70.69144 86.91196 
1 1 1   28   21    1 o  233.895   57.111   1.3988   0.8392   1.1751   1.1933   1.6176   1.1803  222.266   80.770  245.525   80.763 -23.25865 114.2215 
1 1 1   28   21    3 o  606.497   57.848   10.078   1.7881   8.4200   2.4505   11.965   2.6149  551.016   86.501  661.978   76.833 -110.9622 115.6967 
1 1 1   28   21    5 o  830.973   47.067   17.070   1.8869   14.485   2.2464   23.265   3.4772  736.837   59.298  925.109   73.109 -188.2726 94.13366 
1 1 1   28   21    7 o  774.666   44.532   14.860   1.5945   13.417   1.8471   19.080   3.1587  712.463   50.428  836.870   73.413 -124.4069 89.06440 
1 1 1   28   21    9 o  425.479   46.704   4.7709   1.0217   4.7709   1.0217   0.0000   0.0000  425.479   46.704  ?   ?       ?      ? 
1 1 1   28   21   11 o  450.375   49.792   5.3556   0.9381   5.1555   1.0624   6.0636   1.9983  442.013   46.750  458.737   87.927 -16.72507 99.58331 
1 1 1   28   21   13 o  427.116   49.512   4.6649   0.8830   4.3628   0.9932   5.8039   1.9287  406.112   47.569  448.119   86.849 -42.00708 99.02300 
1 1 1   28   21   15 o  725.738   41.413   12.034   1.1870   10.974   1.2904   17.866   3.0274  646.746   38.807  804.729   73.173 -157.9834 82.82667 
1 1 1   28   21   17 o  206.618   42.924   0.8188   0.3477   0.6838   0.3697   1.8504   1.0221  158.437   43.885  254.799   73.783 -96.36176 85.84798 
1 1 1   28   21   19 o  282.283   90.032   2.3313   1.4734   0.0000   0.0000   2.3313   1.4734  ?   ?   282.283   90.032      ?      ? 
1 1 1   28   21   21 o  147.302   44.040   0.5841   0.3593   0.5841   0.3593   0.0000   0.0000  147.302   44.040  ?   ?       ?      ? 
1 1 1   28   21   23 o  291.305   50.640   2.3859   0.5267   2.3909   0.5569   2.3444   1.6206  301.512   35.927  281.097   94.693 20.41504 101.2799 
1 1 1   28   21   25 o  617.219   41.306   9.3666   0.9914   8.8389   1.0800   12.195   2.5005  579.174   36.269  655.264   74.225 -76.08978 82.61173 
1 1 1   28   21   27 o  239.887   45.999   1.7879   0.4862   1.9102   0.5204   0.9483   1.3636  268.708   37.670  211.065   83.933 57.64369 91.99870 
1 1 1   28   21   29 o  178.254   47.032   0.7141   0.5507   0.5937   0.6722   0.9598   0.9606  161.130   60.254  195.377   72.233 -34.24728 94.06439 
1 1 1   28   21   31 o  239.706   49.104   1.2759   0.4323   1.1565   0.4548   2.3933   1.3917  203.451   44.703  275.961   87.445 -72.50984 98.20837 
1 1 1   28   21   33 o  214.147   43.835   1.3868   0.4356   1.4598   0.4719   0.9661   1.1328  229.737   41.479  198.557   77.236 31.17992 87.66950 
1 1 1   28   21   35 o  202.016   45.697   1.0177   0.4056   0.9519   0.4344   1.4640   1.1314  182.890   46.192  221.142   78.863 -38.25211 91.39496 
1 1 1   28   21   37 o  356.984   47.256   3.5418   0.8673   3.5418   0.8673   0.0000   0.0000  356.984   47.256  ?   ?       ?      ? 
1 1 1   28   21   39 o  157.821   42.330   0.2714   0.3328   0.1155   0.3538   1.4680   0.9801  100.986   41.781  214.656   73.632 -113.6696 84.65998 
1 1 1   28   22    0 o  176.018   91.770   1.2198   1.0845   1.2198   1.0845   0.0000   0.0000  176.018   91.770  176.018   91.770 0.000000 0.000000 
1 1 1   28   22    2 o  260.430   57.902   1.8264   0.8913   1.1895   1.2375   2.5128   1.2848  224.077   82.126  296.782   81.644 -72.70461 115.8035 
1 1 1   28   22    4 o  192.077   48.850   0.6757   0.7053   1.5372   0.9415  -0.4261   1.0648  236.094   71.452  148.061   66.633 88.03307 97.70028 
1 1 1   28   22    6 o  175.989   45.065   0.7277   0.4708   0.8056   0.5282   0.4265   1.0388  173.920   53.687  178.057   72.396 -4.137329 90.13089 
1 1 1   28   22    8 o  635.693   46.320   10.666   1.3442   10.366   1.5671   11.502   2.6146  626.167   48.680  645.220   78.818 -19.05334 92.63940 
1 1 1   28   22   10 o  359.842   61.657   3.5207   1.1586   2.1026   1.4911   5.6810   1.8404  274.260   90.805  445.423   83.433 -171.1629 123.3148 
1 1 1   28   22   12 o  260.051   51.776   1.8804   0.6263   1.8997   0.6977   1.8004   1.4216  262.567   53.500  257.535   88.661 5.031708 103.5516 
1 1 1   28   22   14 o  237.221   47.401   1.7052   0.5735   1.9185   0.6473   0.9262   1.2370  264.828   49.358  209.613   80.940 55.21538 94.80289 
1 1 1   28   22   16 o  251.318   47.584   1.4677   0.4893   1.3096   0.5308   2.3601   1.2611  217.878   48.622  284.757   81.810 -66.87862 95.16820 
1 1 1   28   22   18 o  394.574   42.305   4.1158   0.8582   4.1158   0.8582   0.0000   0.0000  394.574   42.305  ?   ?       ?      ? 
1 1 1   28   22   20 o  192.348   71.217   0.8740   0.9345   0.8740   0.9345   0.0000   0.0000  192.348   71.217  ?   ?       ?      ? 
1 1 1   28   22   22 o  1024.83   39.771   23.585   1.5649   21.405   1.6881   36.905   4.1734  901.855   36.408  1147.80   70.721 -245.9484 79.54267 
1 1 1   28   22   24 o  388.703   43.621   3.5646   0.6340   3.2632   0.6862   5.3206   1.6565  351.494   37.974  425.911   78.544 -74.41681 87.24174 
1 1 1   28   22   26 o  789.584   44.765   16.933   1.3233   16.747   1.4438   17.909   3.3095  797.055   35.233  782.113   82.305 14.94232 89.52917 
1 1 1   28   22   28 o  567.300   43.565   8.1742   0.9452   7.7893   1.0279   10.279   2.4041  542.266   36.871  592.334   78.945 -50.06775 87.13049 
1 1 1   28   22   30 o  126.486   35.723   0.2987   0.2582   0.3341   0.2730   0.0000   0.7932  115.150   38.867  137.821   59.949 -22.67097 71.44617 
1 1 1   28   22   32 o  309.526   48.023   2.4345   0.5423   2.2826   0.5810   3.4607   1.5099  291.958   38.708  327.094   87.901 -35.13586 96.04599 
1 1 1   28   22   34 o  220.428   43.187   0.9142   0.3744   0.6930   0.3998   2.4957   1.0690  157.180   46.324  283.676   72.902 -126.4960 86.37460 
1 1 1   28   22   36 o  214.618   50.456   1.3357   0.5474   1.3357   0.5474   0.0000   0.0000  214.618   50.456  ?   ?       ?      ? 
1 1 1   28   22   38 o  318.602   58.377   3.4352   0.9530   3.3846   1.2330   3.5101   1.5021  322.405   75.682  314.800   88.903 7.604980 116.7543 
1 1 1   28   23    1 o  172.757   48.314   0.4539   0.6558   0.8223   0.8827   0.0000   0.9798  189.393   69.370  156.120   67.267 33.27245 96.62807 
1 1 1   28   23    3 o  307.004   57.190   2.7319   0.9907   4.0217   1.3657   1.2993   1.4394  378.295   72.864  235.712   88.167 142.5821 114.3791 
1 1 1   28   23    5 o  443.818   51.310   4.7715   1.0750   3.4749   1.2798   7.8795   1.9814  350.653   73.347  536.983   71.770 -186.3298 102.6190 
1 1 1   28   23    7 o  182.768   50.600   0.6127   0.6926   0.7524   0.9288   0.4377   1.0397  187.375   70.673  178.162   72.433 9.212402 101.1991 
1 1 1   28   23    9 o  230.246   56.299   1.4729   0.6609   1.4729   0.6609   0.0000   0.0000  230.246   56.299  ?   ?       ?      ? 
1 1 1   28   23   11 o  179.175   44.978   0.8191   0.4523   0.9477   0.4866   0.0000   1.2278  185.677   49.901  172.674   74.847 13.00314 89.95601 
1 1 1   28   23   13 o  265.734   52.431   1.7612   0.6901   1.3635   0.8112   2.8034   1.3131  221.356   66.171  310.111   81.347 -88.75494 104.8614 
1 1 1   28   23   15 o  281.497   51.233   2.4879   0.6254   2.6643   0.6759   1.4391   1.6483  317.827   41.366  245.167   93.745 72.66017 102.4662 
1 1 1   28   23   17 o  350.234   41.720   3.2416   0.7512   3.2416   0.7512   0.0000   0.0000  350.234   41.720  ?   ?       ?      ? 
1 1 1   28   23   19 o  289.322   50.233   2.1292   0.6132   1.9462   0.6785   2.9445   1.4322  265.146   51.632  313.498   86.183 -48.35184 100.4657 
1 1 1   28   23   21 o  295.781   49.436   2.7310   0.5739   2.8570   0.6192   1.9621   1.5295  329.428   36.559  262.134   91.864 67.29410 98.87170 
1 1 1   28   23   23 o  374.154   53.936   5.4071   0.7809   6.0590   0.8519   1.9753   1.9546  480.051   34.517  268.258  102.201 211.7931 107.8724 
1 1 1   28   23   25 o  516.219   55.215   8.5857   0.9645   9.0029   1.0561   6.4881   2.3679  584.430   35.147  448.008  104.688 136.4219 110.4307 
1 1 1   28   23   27 o  235.020   44.453   1.7122   0.4744   1.8380   0.5145   0.9990   1.2251  263.175   38.028  206.865   80.361 56.31046 88.90504 
1 1 1   28   23   29 o  302.412   52.673   2.1528   0.8406   0.9201   1.0034   5.0533   1.5392  193.687   73.362  411.138   75.604 -217.4502 105.3469 
1 1 1   28   23   31 o  269.588   46.672   2.3882   0.5319   2.5436   0.5773   1.5158   1.3679  308.984   36.343  230.193   85.979 78.79070 93.34496 
1 1 1   28   23   33 o  361.087   52.757   4.2247   0.7006   4.3421   0.7612   3.5746   1.7910  402.651   36.771  319.523   98.899 83.12744 105.5136 
1 1 1   28   23   35 o  242.000   50.227   1.6861   0.6045   1.6861   0.6045   0.0000   0.0000  242.000   50.227  ?   ?       ?      ? 
1 1 1   28   23   37 o  400.539   39.578   3.5862   0.6556   2.9642   0.7166   6.7820   1.6244  327.925   42.505  473.154   66.775 -145.2285 79.15505 
1 1 1   28   23   39 o  315.142   58.147   3.2694   0.9450   2.4326   1.1946   4.6687   1.5449  263.759   80.629  366.525   83.805 -102.7667 116.2943 
1 1 1   28   24    0 o  1400.67   78.685   52.859   5.6254   52.859   5.6254   0.0000   0.0000  1400.67   78.685  1400.67   78.685 0.000000 0.000000 
1 1 1   28   24    2 o  353.256   59.282   3.6070   1.1994   5.8253   1.6829   1.3174   1.7098  461.483   70.932  245.029   95.006 216.4545 118.5644 
1 1 1   28   24    4 o  381.086   62.847   4.2168   1.2363   2.8249   1.6911   5.8148   1.8120  310.592   96.096  451.580   81.022 -140.9882 125.6945 
1 1 1   28   24    6 o  178.108   57.536   0.8354   0.6003   0.8354   0.6003   0.0000   0.0000  178.108   57.536  ?   ?       ?      ? 
1 1 1   28   24    8 o  308.802   59.313   2.6436   0.9075   2.6436   0.9075   0.0000   0.0000  308.802   59.313  ?   ?       ?      ? 
1 1 1   28   24   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   24   12 o  293.057   64.588   2.4242   0.9469   2.4242   0.9469   0.0000   0.0000  293.057   64.588  ?   ?       ?      ? 
1 1 1   28   24   14 o  212.788   62.862   1.2618   0.7354   1.2618   0.7354   0.0000   0.0000  212.788   62.862  ?   ?       ?      ? 
1 1 1   28   24   16 o  162.637   40.767   0.7252   0.3402   0.7252   0.3402   0.0000   0.0000  162.637   40.767  ?   ?       ?      ? 
1 1 1   28   24   18 o  410.001   54.468   5.0404   0.7594   5.1245   0.8174   4.5097   2.0524  441.562   36.004  378.440  102.815 63.12189 108.9369 
1 1 1   28   24   20 o  277.047   48.887   1.3747   0.5574   0.9200   0.6030   4.0432   1.4609  183.551   57.480  370.543   79.094 -186.9915 97.77437 
1 1 1   28   24   22 o  283.982   49.228   2.3950   0.5556   2.4557   0.5988   2.0200   1.4893  304.820   38.212  263.144   90.738 41.67572 98.45618 
1 1 1   28   24   24 o  352.575   44.277   2.8755   0.5815   2.5956   0.6274   4.5806   1.5484  312.886   39.000  392.264   79.502 -79.37790 88.55305 
1 1 1   28   24   26 o  211.868   41.686   1.4064   0.4389   1.5747   0.4783   0.5093   1.1043  243.551   38.195  180.184   74.108 63.36702 83.37183 
1 1 1   28   24   28 o  184.207   44.696   0.6038   0.3272   0.5132   0.3425   1.5462   1.1050  138.236   43.327  230.177   78.191 -91.94116 89.39262 
1 1 1   28   24   30 o  366.973   53.402   3.9681   0.6932   3.9361   0.7454   4.1735   1.8867  383.867   37.768  350.079   99.903 33.78827 106.8041 
1 1 1   28   24   32 o  489.042   47.111   5.5679   0.9683   4.6541   1.0653   9.9134   2.3230  409.732   50.570  568.352   79.501 -158.6198 94.22128 
1 1 1   28   24   34 o  177.383   52.394   0.9077   0.5109   0.9077   0.5109   0.0000   0.0000  177.383   52.394  ?   ?       ?      ? 
1 1 1   28   24   36 o  133.684   36.685   0.4053   0.2835   0.4558   0.3007   0.0000   0.8520  128.983   40.620  138.385   61.100 -9.402222 73.36974 
1 1 1   28   24   38 o  237.722   53.345   1.9342   0.7285   2.0777   0.8784   1.6182   1.3036  255.249   66.329  220.195   83.566 35.05418 106.6903 
1 1 1   28   25    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   25    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   25    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   25    7 o  191.715   48.397   0.9136   0.6060   1.1373   0.7409   0.4613   1.0536  204.178   63.677  179.252   72.900 24.92570 96.79421 
1 1 1   28   25    9 o  493.395   57.482   6.6618   1.3996   5.6932   1.7648   8.3032   2.2975  444.978   80.088  541.812   82.477 -96.83463 114.9632 
1 1 1   28   25   11 o  501.756   50.176   6.7215   1.2944   6.7215   1.2944   0.0000   0.0000  501.756   50.176  ?   ?       ?      ? 
1 1 1   28   25   13 o  332.318   48.552   2.9460   0.8295   2.9460   0.8295   0.0000   0.0000  332.318   48.552  ?   ?       ?      ? 
1 1 1   28   25   15 o  159.396   40.411   0.6038   0.2782   0.6420   0.2869   0.0000   1.1402  153.308   36.855  165.485   71.930 -12.17763 80.82185 
1 1 1   28   25   17 o  403.778   47.912   4.2512   0.6882   4.1085   0.7433   5.1077   1.8217  395.164   36.588  412.392   88.564 -17.22858 95.82439 
1 1 1   28   25   19 o  203.652   49.755   0.8621   0.4465   0.7761   0.4737   1.5479   1.3374  168.539   50.609  238.764   85.680 -70.22505 99.51073 
1 1 1   28   25   21 o  213.957   46.777   1.0731   0.3994   1.0178   0.4219   1.5497   1.2393  191.846   43.748  236.068   82.694 -44.22177 93.55347 
1 1 1   28   25   23 o  180.819   47.589   0.4587   0.3893   0.3384   0.4100   1.5600   1.2405  126.065   47.074  235.574   82.721 -109.5087 95.17735 
1 1 1   28   25   25 o  217.104   45.103   1.1712   0.4006   1.1144   0.4278   1.5741   1.1399  200.610   42.787  233.598   79.414 -32.98740 90.20692 
1 1 1   28   25   27 o  464.091   41.691   4.7207   0.8463   3.7124   0.9422   8.9322   1.9256  368.926   49.675  559.256   66.971 -190.3304 83.38294 
1 1 1   28   25   29 o  255.454   55.949   1.9814   0.7855   1.9036   0.9722   2.1275   1.3331  250.677   71.778  260.232   85.843 -9.555252 111.8983 
1 1 1   28   25   31 f  295.286   51.669   2.6064   0.6704   2.5858   0.7458   2.6932   1.5304  306.867   47.272  283.705   91.891 23.16208 103.3377 
1 1 1   28   25   33 o  132.597   42.787   0.4744   0.3320   0.4744   0.3320   0.0000   0.0000  132.597   42.787  ?   ?       ?      ? 
1 1 1   28   25   35 o  158.904   39.994   0.7010   0.3454   0.7831   0.3651   0.0000   1.0665  165.720   42.610  152.088   67.693 13.63159 79.98733 
1 1 1   28   25   37 o  206.472   47.186   1.1244   0.4198   1.0574   0.4456   1.6529   1.2514  190.577   46.005  222.367   82.399 -31.78944 94.37147 
1 1 1   28   26    0 f  182.597   92.579   1.3390   1.0843   1.3390   1.0843   0.0000   0.0000  182.597   92.579  182.597   92.579 0.000000 0.000000 
1 1 1   28   26    2 o  514.246   64.848   7.9892   1.6175   3.9246   2.2403   12.416   2.3379  355.416  110.710  673.076   67.561 -317.6601 129.6965 
1 1 1   28   26    4 o  546.199   59.561   8.4488   1.6707   8.0394   2.3002   8.9059   2.4307  532.337   84.046  560.061   84.416 -27.72424 119.1212 
1 1 1   28   26    6 o  322.739   56.134   2.8176   0.8791   2.3727   1.0625   3.7837   1.5656  287.507   72.028  357.971   86.117 -70.46469 112.2683 
1 1 1   28   26    8 o  737.722   47.561   13.934   1.6848   12.256   2.0037   17.986   3.1128  673.360   57.880  802.084   75.485 -128.7236 95.12104 
1 1 1   28   26   10 o  211.491   51.691   0.9801   0.7060   0.3873   0.9060   1.8962   1.1264  166.056   67.575  256.927   78.239 -90.87105 103.3811 
1 1 1   28   26   12 o  361.524   55.708   4.3950   0.9041   4.9957   1.0349   2.4596   1.8578  433.200   46.469  289.848  101.264 143.3522 111.4168 
1 1 1   28   26   14 o  352.081   53.745   3.5586   0.8108   3.5633   0.9159   3.5417   1.7433  364.926   48.819  339.236   95.764 25.69028 107.4898 
1 1 1   28   26   16 o  326.334   42.487   2.0892   0.5198   1.7015   0.5575   4.6692   1.4380  249.303   45.158  403.365   71.982 -154.0623 84.97488 
1 1 1   28   26   18 o  207.265   43.002   1.1614   0.3766   1.1765   0.4017   1.0522   1.0830  207.856   39.024  206.675   76.640 1.181030 86.00348 
1 1 1   28   26   20 o  173.583   44.876   0.7546   0.4388   0.8610   0.4687   0.0000   1.2488  176.176   49.631  170.991   74.780 5.184708 89.75116 
1 1 1   28   26   22 o  185.025   42.730   0.9763   0.3661   1.0607   0.3816   0.0000   1.2981  196.794   39.097  173.256   75.993 23.53830 85.46082 
1 1 1   28   26   24 o  138.893   36.889   0.4399   0.2748   0.4902   0.2901   0.0000   0.8579  134.378   39.420  143.408   62.363 -9.030640 73.77744 
1 1 1   28   26   26 o  258.297   43.706   1.5154   0.4361   1.3219   0.4702   2.7051   1.1661  218.284   43.429  298.310   75.860 -80.02585 87.41171 
1 1 1   28   26   28 o  272.589   49.150   1.9927   0.5835   1.8179   0.6508   2.7103   1.3184  252.912   51.790  292.265   83.550 -39.35371 98.29999 
1 1 1   28   26   30 o  376.805   54.084   4.0256   0.8090   3.8279   0.8921   4.9400   1.9187  373.809   46.421  379.801   97.701 -5.991974 108.1684 
1 1 1   28   26   32 o  396.055   38.024   4.2309   0.7743   4.2309   0.7743   0.0000   0.0000  396.055   38.024  ?   ?       ?      ? 
1 1 1   28   26   34 o  212.487   46.207   1.1808   0.4140   1.1137   0.4415   1.6696   1.1913  197.295   44.576  227.679   80.952 -30.38393 92.41320 
1 1 1   28   26   36 o  211.773   42.546   1.5132   0.4424   1.6472   0.4725   0.5630   1.2582  245.684   37.409  177.863   76.427 67.82005 85.09153 
1 1 1   28   27    1 o  427.937   63.957   5.4261   1.3645   6.3154   1.9792   4.6207   1.8837  464.748   86.002  391.125   94.688 73.62296 127.9146 
1 1 1   28   27    3 o  203.738   51.950   0.8232   0.7566   1.7489   1.1028   0.0000   1.0400  248.297   77.731  159.179   68.941 89.11774 103.8992 
1 1 1   28   27    5 o  497.309   64.518   7.6300   1.5606   10.713   2.1745   4.3553   2.2410  623.445   67.842  371.173  109.763 252.2718 129.0366 
1 1 1   28   27    7 o  342.257   55.121   3.0532   0.8651   2.5867   1.0068   4.3693   1.6912  301.471   66.721  383.043   87.759 -81.57147 110.2421 
1 1 1   28   27    9 o  583.773   57.766   9.6753   1.7251   9.2584   2.3095   10.202   2.5946  571.789   78.562  595.756   84.710 -23.96649 115.5325 
1 1 1   28   27   11 o  652.371   38.488   11.199   1.2744   9.5018   1.6553   13.670   1.9969  593.309   54.264  711.433   54.596 -118.1239 76.97636 
1 1 1   28   27   13 o  198.242   46.856   1.0260   0.5100   1.0281   0.5849   1.0194   1.0413  192.393   55.845  204.091   75.254 -11.69829 93.71136 
1 1 1   28   27   15 o  191.894   40.585   1.1070   0.3752   1.2316   0.3957   0.0000   1.1800  216.396   35.570  167.392   72.962 49.00374 81.17043 
1 1 1   28   27   17 o  140.327   37.646   0.4312   0.2818   0.4791   0.2970   0.0000   0.8911  133.619   40.064  147.035   63.749 -13.41544 75.29260 
1 1 1   28   27   19 o  390.971   60.565   4.9113   1.1941   5.9675   1.5273   3.2505   1.9152  463.058   64.154  318.884  102.745 144.1736 121.1293 
1 1 1   28   27   21 o  256.080   47.986   1.6356   0.4562   1.5698   0.4827   2.1875   1.3980  243.276   38.590  268.885   87.871 -25.60861 95.97115 
1 1 1   28   27   23 o  324.194   47.613   2.5423   0.5516   2.3589   0.5896   3.8306   1.5626  297.879   38.498  350.508   87.096 -52.62799 95.22520 
1 1 1   28   27   25 o  639.564   47.643   11.377   1.1122   11.240   1.2081   12.138   2.8491  650.662   36.113  628.466   88.178 22.19635 95.28617 
1 1 1   28   27   27 o  157.837   41.234   0.5392   0.2956   0.5375   0.3086   0.5580   1.0271  139.788   40.560  175.886   71.804 -36.09769 82.46767 
1 1 1   28   27   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   27   31 o  203.986   42.902   1.1731   0.4357   1.1731   0.4357   0.0000   0.0000  203.986   42.902  ?   ?       ?      ? 
1 1 1   28   27   33 o  238.747   50.838   1.4907   0.4819   1.3958   0.5094   2.2973   1.4850  220.657   46.377  256.836   90.483 -36.17897 101.6763 
1 1 1   28   27   35 f  202.166   42.477   0.7401   0.3412   0.5401   0.3624   2.2992   1.0118  139.212   44.677  265.120   72.257 -125.9087 84.95354 
1 1 1   28   28    0 o  774.435   84.611   16.804   3.2667   16.804   3.2667   0.0000   0.0000  774.435   84.611  774.435   84.611 0.000000 0.000000 
1 1 1   28   28    2 o  295.134   57.559   2.5327   0.9560   3.6520   1.3613   1.4432   1.3430  354.599   76.884  235.668   85.679 118.9314 115.1172 
1 1 1   28   28    4 o  353.499   62.107   3.7113   1.1475   2.6585   1.5739   4.9061   1.6767  297.988   92.789  409.009   82.580 -111.0215 124.2148 
1 1 1   28   28    6 o  514.904   49.156   6.4838   1.2189   4.8381   1.4506   10.438   2.2485  418.204   67.466  611.604   71.508 -193.4000 98.31116 
1 1 1   28   28    8 o  606.846   48.449   9.4929   1.4171   8.2453   1.6893   12.455   2.6033  549.821   59.762  663.871   76.273 -114.0496 96.89769 
1 1 1   28   28   10 o  265.141   53.791   2.0070   0.6955   2.0104   0.7913   1.9953   1.4581  266.893   59.218  263.389   89.816 3.503784 107.5813 
1 1 1   28   28   12 o  215.669   48.080   1.3097   0.5460   1.3880   0.6170   1.0271   1.1725  222.285   54.428  209.052   79.273 13.23280 96.15954 
1 1 1   28   28   14 o  587.554   37.288   6.1551   0.8742   4.5986   0.9419   15.836   2.3489  415.474   44.093  759.633   60.144 -344.1588 74.57576 
1 1 1   28   28   16 f  231.564   46.020   1.1367   0.3819   1.0288   0.4014   2.1665   1.2404  193.357   41.616  269.772   82.094 -76.41527 92.03994 
1 1 1   28   28   18 o  357.058   48.142   2.9976   0.7160   2.5476   0.7937   4.9647   1.6594  306.953   50.294  407.162   82.104 -100.2090 96.28428 
1 1 1   28   28   20 o  231.676   50.116   1.3442   0.4422   1.3136   0.4624   1.6731   1.5144  218.347   42.721  245.005   90.673 -26.65733 100.2328 
1 1 1   28   28   22 o  175.892   42.733   0.8411   0.3632   0.9170   0.3792   0.0000   1.2621  181.847   41.481  169.937   74.725 11.90945 85.46680 
1 1 1   28   28   24 o  382.109   52.466   3.8544   0.6837   3.6868   0.7293   5.0705   1.9646  371.874   38.147  392.344   97.752 -20.47000 104.9322 
1 1 1   28   28   26 o  628.966   47.084   10.562   1.2518   9.9214   1.4023   13.076   2.7773  604.310   45.135  653.622   82.647 -49.31238 94.16803 
1 1 1   28   28   28 o  155.291   53.466   0.6401   0.5170   0.6401   0.5170   0.0000   0.0000  155.291   53.466  ?   ?       ?      ? 
1 1 1   28   28   30 o  220.485   43.599   1.0405   0.3959   0.8282   0.4278   2.3081   1.0453  170.305   47.215  270.666   73.309 -100.3614 87.19740 
1 1 1   28   28   32 o  153.585   39.972   0.6098   0.3179   0.6662   0.3323   0.0000   1.0927  153.368   41.245  153.802   68.483 -0.4344177 79.94434 
1 1 1   28   28   34 o  209.440   45.892   1.4392   0.4636   1.5325   0.4885   0.5931   1.4711  232.365   42.451  186.515   81.377 45.84927 91.78394 
1 1 1   28   29    1 o  386.284   63.995   4.5774   1.2722   3.3022   1.8202   5.7952   1.7788  326.725   99.451  445.843   80.566 -119.1176 127.9891 
1 1 1   28   29    3 o  341.521   62.955   3.5714   1.1528   4.5761   1.5992   2.4845   1.6634  394.396   81.563  288.645   95.922 105.7517 125.9108 
1 1 1   28   29    5 o  270.236   60.311   2.1486   0.9351   2.2425   1.2391   2.0244   1.4253  275.875   81.628  264.598   88.807 11.27670 120.6226 
1 1 1   28   29    7 o  252.340   52.063   1.7719   0.6780   1.6523   0.8147   2.0414   1.2229  240.531   64.537  264.149   81.715 -23.61873 104.1269 
1 1 1   28   29    9 f  167.424   46.338   0.3722   0.5781   0.0000   0.7248   1.0225   0.9582  133.814   57.756  201.034   72.479 -67.21957 92.67673 
1 1 1   28   29   11 o  416.615   41.673   4.7043   0.8862   4.3882   1.1716   5.1271   1.3548  401.319   56.782  431.911   61.013 -30.59195 83.34690 
1 1 1   28   29   13 o  254.794   47.669   1.3520   0.5644   0.8688   0.6343   3.1899   1.2370  180.012   59.205  329.577   74.726 -149.5647 95.33718 
1 1 1   28   29   15 o  246.251   48.309   1.6259   0.4422   1.6246   0.4637   1.6387   1.4701  248.141   36.347  244.362   89.520 3.779114 96.61769 
1 1 1   28   29   17 o  320.618   51.118   2.7087   0.5483   2.6344   0.5788   3.3581   1.7109  315.936   35.635  325.299   95.825 -9.362427 102.2361 
1 1 1   28   29   19 o  390.039   57.817   4.5554   0.9197   4.5581   1.0245   4.5444   2.0875  410.431   48.553  369.648  104.948 40.78244 115.6348 
1 1 1   28   29   21 o  504.285   54.137   7.1069   0.9163   6.9635   0.9844   8.0370   2.5069  511.962   37.398  496.608  101.610 15.35388 108.2739 
1 1 1   28   29   23 o  195.062   40.661   1.1995   0.4094   1.3639   0.4365   0.0000   1.1793  226.243   37.531  163.881   72.143 62.36215 81.32157 
1 1 1   28   29   25 o  160.022   44.205   0.4976   0.3430   0.4901   0.3582   0.5801   1.1883  135.945   44.483  184.099   76.405 -48.15408 88.41058 
1 1 1   28   29   27 o  328.859   38.623   2.9090   0.6530   2.9090   0.6530   0.0000   0.0000  328.859   38.623  ?   ?       ?      ? 
1 1 1   28   29   29 f  175.795   44.499   0.8362   0.4500   0.8906   0.4967   0.5872   1.0626  175.900   51.577  175.689   72.528 0.2111969 88.99725 
1 1 1   28   29   31 o  209.907   45.627   1.3135   0.4558   1.3353   0.4946   1.1908   1.1741  215.865   45.976  203.948   78.826 11.91678 91.25475 
1 1 1   28   29   33 o  170.502   43.702   0.3701   0.3173   0.2298   0.3324   1.8107   1.0652  107.815   41.866  233.188   76.726 -125.3736 87.40476 
1 1 1   28   30    0 o  219.449  102.080   1.9510   1.2787   0.0000   0.0000   1.9510   1.2787  219.449  102.080  219.449  102.080 -0.000000 0.000000 
1 1 1   28   30    2 o  313.147   61.036   2.9929   1.1005   4.2969   1.5083   1.5085   1.6092  382.338   79.328  243.957   92.783 138.3810 122.0726 
1 1 1   28   30    4 o  327.902   58.971   3.2599   1.0565   1.8537   1.5076   4.6166   1.4809  256.683   91.089  399.122   74.919 -142.4386 117.9412 
1 1 1   28   30    6 o  393.898   59.788   4.5602   1.2473   2.2697   1.6894   7.3046   1.8493  277.540   96.588  510.256   70.493 -232.7152 119.5769 
1 1 1   28   30    8 o  316.443   63.002   3.1265   1.1130   3.9367   1.4873   2.0954   1.6778  363.579   81.573  269.308   96.037 94.27094 126.0050 
1 1 1   28   30   10 o  227.914   49.233   1.4249   0.5790   1.3720   0.6737   1.5744   1.1329  219.959   58.539  235.868   79.176 -15.90915 98.46693 
1 1 1   28   30   12 o  285.775   46.126   2.5420   0.7151   3.5696   0.9310   1.0630   1.1170  363.815   49.773  207.735   77.673 156.0806 92.25201 
1 1 1   28   30   14 o  318.319   49.413   2.6470   0.5413   2.5635   0.5748   3.3012   1.6088  311.682   35.868  324.957   92.088 -13.27435 98.82677 
1 1 1   28   30   16 o  319.109   44.374   2.2470   0.5012   2.0183   0.5338   3.9535   1.4578  276.008   37.615  362.211   80.383 -86.20288 88.74828 
1 1 1   28   30   18 o  182.166   47.562   0.6646   0.4229   0.5978   0.4508   1.1560   1.2228  150.699   49.927  213.633   80.969 -62.93410 95.12468 
1 1 1   28   30   20 o  423.483   42.371   3.8858   0.6860   3.4047   0.7369   7.0178   1.8801  356.929   40.154  490.037   74.624 -133.1083 84.74106 
1 1 1   28   30   22 o  511.298   43.875   5.5418   0.8238   4.8584   0.8773   10.637   2.3954  425.762   40.078  596.835   78.064 -171.0724 87.75076 
1 1 1   28   30   24 o  254.843   47.717   1.8258   0.6022   1.8258   0.6022   0.0000   0.0000  254.843   47.717  ?   ?       ?      ? 
1 1 1   28   30   26 o  147.743   44.922   0.6050   0.3715   0.6050   0.3715   0.0000   0.0000  147.743   44.922  ?   ?       ?      ? 
1 1 1   28   30   28 o  197.994   51.414   1.0887   0.6622   1.0263   0.8169   1.2082   1.1308  189.804   67.085  206.185   77.932 -16.38072 102.8286 
1 1 1   28   30   30 f  337.320   52.361   3.2023   0.6415   3.0460   0.6881   4.2407   1.7738  334.002   40.070  340.638   96.752 -6.636719 104.7213 
1 1 1   28   30   32 o  222.651   46.664   1.3681   0.4380   1.2983   0.4691   1.8432   1.2232  212.539   44.366  232.763   82.108 -20.22343 93.32805 
1 1 1   28   31    1 o  193.113   53.594   0.7496   0.7830   0.9859   1.0970   0.5043   1.1180  203.713   76.815  182.513   74.758 21.20045 107.1879 
1 1 1   28   31    3 o  589.997   63.945   10.426   1.8835   11.483   2.6483   9.3442   2.6794  629.650   81.807  550.345   98.303 79.30420 127.8902 
1 1 1   28   31    5 o  631.580   61.232   11.587   1.9764   10.315   2.6328   13.228   2.9916  592.509   86.428  670.652   86.763 -78.14313 122.4649 
1 1 1   28   31    7 o  690.803   50.741   12.984   1.6827   12.094   2.0197   15.004   3.0427  663.636   59.196  717.970   82.430 -54.33411 101.4828 
1 1 1   28   31    9 o  259.580   53.303   1.4839   0.6608   1.0204   0.7436   3.2261   1.4416  193.681   64.122  325.479   85.167 -131.7986 106.6068 
1 1 1   28   31   11 o  209.917   53.086   1.1238   0.6298   1.1348   0.7013   1.0778   1.4315  201.059   61.830  218.775   86.312 -17.71626 106.1730 
1 1 1   28   31   13 o  227.157   47.713   1.2493   0.3807   1.2164   0.3956   1.6625   1.4009  211.413   37.780  242.902   87.628 -31.48921 95.42522 
1 1 1   28   31   15 o  341.061   44.808   2.5619   0.5395   2.2942   0.5746   4.5529   1.5672  294.022   38.012  388.099   81.155 -94.07745 89.61614 
1 1 1   28   31   17 o  352.255   56.880   4.1596   0.8504   4.4420   0.9422   2.9178   1.9758  406.004   45.137  298.506  104.422 107.4984 113.7595 
1 1 1   28   31   19 o  354.856   52.048   3.4583   0.6680   3.3463   0.7191   4.1642   1.8047  353.867   39.523  355.845   96.301 -1.977234 104.0959 
1 1 1   28   31   21 o  623.012   43.151   8.5421   1.1501   6.8547   1.2696   16.254   2.7144  500.061   49.385  745.963   70.775 -245.9019 86.30149 
1 1 1   28   31   23 o  502.357   36.990   6.7489   0.9554   6.7489   0.9554   0.0000   0.0000  502.357   36.990  ?   ?       ?      ? 
1 1 1   28   31   25 o  235.005   48.590   1.6562   0.4751   1.6995   0.4980   1.2194   1.5822  251.194   38.564  218.815   89.201 32.37904 97.17992 
1 1 1   28   31   27 o  184.513   44.932   1.0281   0.4989   1.2158   0.5425   0.0000   1.2699  204.299   51.630  164.726   73.552 39.57330 89.86429 
1 1 1   28   31   29 o  331.220   52.959   4.4200   0.7589   4.8583   0.8215   1.8686   1.9821  423.070   37.769  239.369   98.955 183.7015 105.9183 
1 1 1   28   31   31 o  293.793   46.200   2.0972   0.5192   1.8290   0.5598   3.7502   1.3897  256.787   42.399  330.799   82.099 -74.01187 92.40070 
1 1 1   28   32    0 o  159.738   86.807   1.0185   1.0052   0.0000   0.0000   1.0185   1.0052  159.738   86.807  159.738   86.807 -0.000000 0.000000 
1 1 1   28   32    2 o  203.279   53.385   1.0214   0.7431   0.9980   1.0821   1.0424   1.0223  203.166   76.357  203.392   74.630 -0.2259674 106.7706 
1 1 1   28   32    4 o  563.914   62.006   9.4235   1.7944   8.7159   2.4961   10.180   2.5815  540.119   89.889  587.710   85.435 -47.59125 124.0125 
1 1 1   28   32    6 o  332.410   59.087   3.1946   1.1011   1.4232   1.4705   5.4549   1.6611  234.516   88.815  430.304   77.956 -195.7876 118.1746 
1 1 1   28   32    8 o  212.009   47.843   1.3383   0.5846   1.5748   0.6666   0.5502   1.2167  235.609   55.878  188.408   77.676 47.20042 95.68635 
1 1 1   28   32   10 o  297.865   55.464   2.4098   0.7714   2.1171   0.8879   3.3112   1.5583  270.210   64.756  325.520   90.066 -55.31067 110.9288 
1 1 1   28   32   12 o  605.127   32.125   8.3769   0.8624   7.1387   0.9702   13.036   1.8821  519.401   36.333  690.852   52.989 -171.4515 64.24923 
1 1 1   28   32   14 o  185.182   41.466   0.9459   0.3438   0.9890   0.3631   0.5731   1.0685  189.726   38.537  180.639   73.433 9.087341 82.93110 
1 1 1   28   32   16 o  252.195   45.566   1.2476   0.4027   1.0628   0.4241   2.9416   1.2844  195.343   43.361  309.047   80.156 -113.7036 91.13239 
1 1 1   28   32   18 o  385.673   60.364   4.8085   1.0306   4.9883   1.1772   4.2184   2.1325  424.653   53.920  346.693  108.017 77.95975 120.7276 
1 1 1   28   32   20 o  339.382   46.731   3.1421   0.8154   3.1421   0.8154   0.0000   0.0000  339.382   46.731  ?   ?       ?      ? 
1 1 1   28   32   22 f  342.725   37.785   3.1498   0.6658   3.1498   0.6658   0.0000   0.0000  342.725   37.785  ?   ?       ?      ? 
1 1 1   28   32   24 o  210.706   44.248   1.3634   0.4265   1.4467   0.4500   0.6264   1.3388  231.866   37.747  189.547   80.041 42.31953 88.49541 
1 1 1   28   32   26 o  152.679   40.347   0.5771   0.3115   0.6254   0.3243   0.0000   1.1207  149.064   41.026  156.295   69.488 -7.231155 80.69492 
1 1 1   28   32   28 o  314.717   52.747   2.6325   0.7077   2.1985   0.7881   4.4400   1.6082  270.790   58.330  358.643   87.901 -87.85303 105.4939 
1 1 1   28   32   30 o  201.052   46.868   1.1335   0.4264   1.1152   0.4516   1.2848   1.2951  195.942   45.675  206.163   81.855 -10.22049 93.73646 
1 1 1   28   33    1 o  352.395   63.933   3.8323   1.2036   2.5737   1.6505   5.2618   1.7590  288.043   95.542  416.747   84.979 -128.7042 127.8662 
1 1 1   28   33    3 o  196.198   51.464   0.7595   0.7428   0.0000   1.0176   1.6260   1.0869  155.446   67.756  236.950   77.480 -81.50412 102.9270 
1 1 1   28   33    5 o  264.205   59.555   2.0591   0.9706   2.9383   1.3456   1.1054   1.4015  310.259   82.811  218.151   85.613 92.10800 119.1099 
1 1 1   28   33    7 o  703.935   59.484   14.646   2.1476   13.723   2.9173   15.738   3.1733  680.690   83.361  727.181   84.878 -46.49097 118.9676 
1 1 1   28   33    9 o  178.215   45.759   0.7997   0.5086   0.8794   0.5887   0.5649   1.0098  178.779   56.895  177.652   71.682 1.127396 91.51714 
1 1 1   28   33   11 o  350.575   39.016   1.9092   0.4730   1.4763   0.4962   6.2319   1.5679  231.318   43.311  469.832   64.908 -238.5138 78.03122 
1 1 1   28   33   13 o  172.045   42.574   0.7081   0.3204   0.7197   0.3343   0.5774   1.1229  161.083   40.430  183.008   74.938 -21.92433 85.14827 
1 1 1   28   33   15 o  186.830   41.480   1.0717   0.3925   1.2016   0.4156   0.0000   1.1937  208.777   40.173  164.883   72.584 43.89355 82.95918 
1 1 1   28   33   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   33   19 o  442.986   40.112   5.2798   0.9135   5.2798   0.9135   0.0000   0.0000  442.986   40.112  ?   ?       ?      ? 
1 1 1   28   33   21 o  153.880   43.850   0.4014   0.3564   0.3763   0.3753   0.6306   1.1350  125.500   45.345  182.259   75.067 -56.75822 87.70007 
1 1 1   28   33   23 o  191.684   43.305   1.0843   0.4054   1.1486   0.4336   0.6379   1.1434  201.780   43.108  181.589   75.120 20.19092 86.60956 
1 1 1   28   33   25 o  262.397   47.662   1.8155   0.4901   1.6998   0.5258   2.5805   1.3524  249.546   40.984  275.247   86.064 -25.70020 95.32429 
1 1 1   28   33   27 o  200.630   53.955   1.1493   0.7340   1.0821   0.8892   1.2932   1.3001  191.966   69.728  209.294   82.357 -17.32852 107.9103 
1 1 1   28   33   29 o  231.841   47.442   1.5324   0.4539   1.4730   0.4843   1.9612   1.3012  227.082   43.055  236.601   84.554 -9.519028 94.88440 
1 1 1   28   34    0 o  115.451   48.028   0.3940   0.3642   0.5314   0.9780   0.3719   0.3925  131.550   79.329   99.351   54.163 0.000000 0.000000 
1 1 1   28   34    2 o  528.898   47.589   7.1265   1.1425   6.3021   1.3076   9.7852   2.3483  480.187   52.967  577.610   79.078 -97.42361 95.17766 
1 1 1   28   34    4 o  197.110   47.118   0.9997   0.4876   0.9710   0.5433   1.1185   1.1048  185.863   53.786  208.356   77.379 -22.49290 94.23655 
1 1 1   28   34    6 o  213.260   47.350   1.2816   0.5103   1.3153   0.5676   1.1397   1.1652  215.558   51.852  210.962   79.243 4.596024 94.70015 
1 1 1   28   34    8 f  266.511   41.450   1.9004   0.5680   1.9004   0.5680   0.0000   0.0000  266.511   41.450  ?   ?       ?      ? 
1 1 1   28   34   10 o  137.512   45.138   0.4965   0.3687   0.4965   0.3687   0.0000   0.0000  137.512   45.138  ?   ?       ?      ? 
1 1 1   28   34   12 o  153.911   49.640   0.6396   0.4470   0.6396   0.4470   0.0000   0.0000  153.911   49.640  ?   ?       ?      ? 
1 1 1   28   34   14 o  242.768   47.573   1.8251   0.5086   1.9171   0.5432   1.1704   1.4487  267.558   39.487  217.978   86.565 49.58000 95.14522 
1 1 1   28   34   16 f  111.440   40.522   0.2835   0.3004   0.2835   0.3004   0.0000   0.0000  111.440   40.522  ?   ?       ?      ? 
1 1 1   28   34   18 o  394.958   54.183   4.5811   0.7195   4.5181   0.7693   5.0213   2.0327  411.121   36.396  378.795  102.072 32.32590 108.3669 
1 1 1   28   34   20 o  187.517   44.059   1.0466   0.4034   1.1397   0.4209   0.0000   1.4115  201.618   41.970  173.416   77.480 28.20168 88.11737 
1 1 1   28   34   22 o  353.088   56.873   4.4419   0.7620   4.6230   0.8176   3.2457   2.1013  413.582   38.453  292.594  107.049 120.9879 113.7460 
1 1 1   28   34   24 o  362.801   57.787   4.1050   0.7243   4.0422   0.7691   4.5968   2.1528  385.715   38.786  339.887  108.871 45.82819 115.5739 
1 1 1   28   34   26 o  239.385   48.352   2.0248   0.6067   2.2372   0.6522   0.6593   1.6537  283.436   44.756  195.333   85.723 88.10321 96.70374 
1 1 1   28   34   28 o  339.585   56.517   3.8724   0.8438   3.8401   0.9472   3.9964   1.8567  365.647   50.388  313.523  101.181 52.12311 113.0331 
1 1 1   28   35    1 o  178.621   37.242   0.8622   0.3927   0.4109   0.5539   1.3185   0.5569  141.444   54.281  215.798   51.005 -74.35428 74.48443 
1 1 1   28   35    3 o  277.922   63.109   2.2490   0.8812   2.2490   0.8812   0.0000   0.0000  277.922   63.109  ?   ?       ?      ? 
1 1 1   28   35    5 o  173.306   39.071   0.8285   0.3925   0.8547   0.5435   0.8000   0.5675  175.336   54.515  171.276   55.986 4.060013 78.14272 
1 1 1   28   35    7 o  135.191   34.057   0.4375   0.2980   0.3742   0.4041   0.5130   0.4411  128.044   46.930  142.339   49.366 -14.29430 68.11331 
1 1 1   28   35    9 o  296.071   52.244   2.6940   0.7014   2.7758   0.7853   2.3715   1.5596  319.248   47.847  272.895   92.890 46.35297 104.4887 
1 1 1   28   35   11 o  248.471   51.543   1.0789   0.5548   0.6719   0.5983   3.5722   1.4809  161.827   57.389  335.114   85.635 -173.2876 103.0869 
1 1 1   28   35   13 o  295.312   50.756   2.4031   0.6370   2.2733   0.7041   2.9884   1.4951  288.371   47.490  302.253   89.718 -13.88242 101.5114 
1 1 1   28   35   15 o  296.638   55.663   2.9890   0.8679   3.3606   0.9994   1.8493   1.7505  345.754   56.222  247.522   96.087 98.23225 111.3266 
1 1 1   28   35   17 o  263.171   53.050   2.2058   0.6967   2.2943   0.7903   1.8975   1.4753  281.039   56.656  245.303   89.706 35.73576 106.0994 
1 1 1   28   35   19 o  318.786   54.361   3.8018   0.9717   4.7916   1.1476   1.2957   1.8261  411.986   54.181  225.586   94.259 186.4003 108.7211 
1 1 1   28   35   21 o  247.366   53.816   1.5903   0.5695   1.4290   0.6117   2.6389   1.5601  220.364   54.338  274.368   92.908 -54.00381 107.6317 
1 1 1   28   35   23 o  193.206   47.257   1.0955   0.4851   1.1592   0.5200   0.6682   1.3465  198.936   50.693  187.476   79.769 11.45988 94.51343 
1 1 1   28   35   25 o  188.014   46.896   0.8426   0.3771   0.7950   0.3943   1.3523   1.2910  165.878   45.064  210.150   82.258 -44.27229 93.79276 
1 1 1   28   36    0 o  119.465   50.233   0.4198   0.3978   0.3998   0.4263   0.5542   1.1064  102.722   56.291  136.208   83.216 -0.000000 0.000000 
1 1 1   28   36    2 o  151.033   42.332   0.3996   0.3864   0.3671   0.4223   0.5667   0.9574  128.621   47.824  173.445   69.862 -44.82379 84.66306 
1 1 1   28   36    4 o  272.193   37.852   2.0944   0.5178   2.3302   0.7199   1.8416   0.7454  292.350   47.896  252.036   58.627 40.31465 75.70444 
1 1 1   28   36    6 o  168.192   34.962   0.7646   0.3413   0.4133   0.4753   1.1385   0.4904  135.836   50.691  200.547   48.164 -64.71098 69.92416 
1 1 1   28   36    8 o  278.863   36.569   2.2104   0.5000   2.3499   0.6510   2.0097   0.7808  294.942   42.933  262.784   59.211 32.15741 73.13776 
1 1 1   28   36   10 o  181.015   35.474   0.9014   0.3406   0.7209   0.4447   1.1574   0.5297  160.942   49.195  201.089   51.123 -40.14639 70.94839 
1 1 1   28   36   12 o  398.725   55.021   4.5073   0.8484   4.3032   0.9314   5.5020   2.0560  397.075   45.624  400.375  100.139 -3.300201 110.0430 
1 1 1   28   36   14 o  238.454   53.596   1.5084   0.6666   1.1787   0.7711   2.4839   1.3263  200.842   65.240  276.068   85.052 -75.22592 107.1925 
1 1 1   28   36   16 o  239.662   46.463   1.9596   0.6040   2.2734   0.6718   0.6368   1.3795  287.814   45.403  191.510   81.080 96.30411 92.92680 
1 1 1   28   36   18 o  370.956   57.130   4.3011   0.8592   4.2407   0.9503   4.5717   2.0108  391.217   47.249  350.696  104.034 40.52112 114.2605 
1 1 1   28   36   20 o  187.594   46.858   1.0075   0.4982   1.0752   0.5457   0.6685   1.2217  191.285   53.432  183.903   76.991 7.381805 93.71528 
1 1 1   28   36   22 o  262.571   55.175   2.0741   0.6781   1.9273   0.7516   2.7169   1.5725  252.467   58.971  272.676   93.272 -20.20927 110.3505 
1 1 1   28   36   24 o  316.130   53.335   3.9399   0.7399   4.2403   0.7970   2.0639   1.9916  392.832   39.462  239.428   99.103 153.4037 106.6707 
1 1 1   28   37    1 o  439.565   48.052   4.5378   0.9441   3.3723   1.0716   8.5795   1.9955  339.367   63.758  539.762   71.909 -200.3955 96.10452 
1 1 1   28   37    3 o  241.813   40.385   1.6862   0.4961   1.3955   0.6786   2.0201   0.7272  218.532   59.013  265.095   55.149 -46.56285 80.77090 
1 1 1   28   37    5 o  124.813   31.510   0.3757   0.2556   0.3953   0.3536   0.3543   0.3698  126.199   44.174  123.427   44.947 2.772652 63.02001 
1 1 1   28   37    7 o  421.000   39.889   5.1358   0.8063   6.4857   1.1244   3.7069   1.1568  488.098   44.806  353.902   66.007 134.1966 79.77807 
1 1 1   28   37    9 o  214.114   38.469   1.3661   0.4139   1.4731   0.5075   1.1536   0.7151  229.207   44.672  199.022   62.640 30.18546 76.93758 
1 1 1   28   37   11 o  165.476   36.326   0.7525   0.3328   0.6957   0.4192   0.8494   0.5473  157.655   47.668  173.297   54.827 -15.64191 72.65118 
1 1 1   28   37   13 o  209.531   63.137   1.3084   0.7363   1.3084   0.7363   0.0000   0.0000  209.531   63.137  ?   ?       ?      ? 
1 1 1   28   37   15 o  205.301   51.581   0.9846   0.5778   0.7453   0.6472   1.9236   1.2821  166.876   59.633  243.726   84.181 -76.85013 103.1629 
1 1 1   28   37   17 f  204.076   49.714   0.9285   0.4811   0.7527   0.5200   1.9731   1.2676  163.486   53.601  244.665   83.743 -81.17859 99.42809 
1 1 1   28   37   19 o  264.524   57.022   1.9166   0.8857   0.8326   1.0882   4.0447   1.5247  185.059   74.502  343.989   86.345 -158.9301 114.0446 
1 1 1   28   37   21 o  202.933   47.796   1.3138   0.5444   1.4375   0.5958   0.6895   1.3388  219.791   53.282  186.076   79.364 33.71495 95.59126 
1 1 1   28   37   23 o  177.614   47.933   0.7037   0.4931   0.5511   0.5445   1.3986   1.1619  146.316   54.326  208.913   78.988 -62.59688 95.86662 
1 1 1   28   38    0 o  230.352  108.721   2.3114   1.4548   0.0000   0.0000   2.3114   1.4548  230.352  108.721  230.352  108.721 -0.000000 0.000000 
1 1 1   28   38    2 o  151.220   42.458   0.2084   0.3440   1.1221   0.9949   0.0844   0.3667  201.213   73.653  101.228   42.262 99.98509 84.91682 
1 1 1   28   38    4 o  242.607   42.969   1.7386   0.5299   1.7129   0.6947   1.7745   0.8194  242.119   56.789  243.096   64.500 -0.9771118 85.93742 
1 1 1   28   38    6 o  189.433   39.222   1.0482   0.4062   1.1335   0.5274   0.9239   0.6368  198.269   51.331  180.597   59.317 17.67157 78.44348 
1 1 1   28   38    8 o  205.962   39.731   1.1733   0.4317   0.8620   0.5525   1.6612   0.6917  174.209   55.085  237.715   57.271 -63.50545 79.46296 
1 1 1   28   38   10 o  375.869   47.341   4.2123   0.8958   4.3472   1.2656   4.0769   1.2680  385.913   63.788  365.825   69.969 20.08762 94.68162 
1 1 1   28   38   12 o  188.145   40.582   0.9592   0.4311   1.4452   0.6897   0.6475   0.5523  219.968   59.534  156.321   55.168 63.64723 81.16474 
1 1 1   28   38   14 o  312.830   41.501   2.9872   0.6324   2.1820   0.9572   3.6109   0.8424  264.126   69.536  361.534   45.324 -97.40765 83.00288 
1 1 1   28   38   16 o  180.962   37.218   0.9395   0.3742   1.2283   0.5487   0.6885   0.5116  204.435   52.061  157.490   53.202 46.94542 74.43686 
1 1 1   28   38   18 o  286.655   52.929   3.2541   0.8690   3.8198   0.9597   0.6790   2.0475  366.476   50.936  206.834   92.798 159.6420 105.8582 
1 1 1   28   38   20 o  302.694   60.106   2.7474   0.7662   2.5033   0.8292   4.1734   2.0042  287.923   58.023  317.464  105.282 -29.54001 120.2121 
1 1 1   28   39    1 f  206.355   42.334   1.2538   0.4836   0.9689   0.6788   1.5476   0.6893  184.106   61.279  228.603   58.427 -44.49770 84.66876 
1 1 1   28   39    3 o  210.682   47.889   1.0042   0.5624   2.2684   1.0806   0.5346   0.6586  267.673   75.340  153.690   59.139 113.9832 95.77895 
1 1 1   28   39    5 o  164.837   43.878   0.6692   0.4629   0.5555   0.9481   0.7048   0.5304  169.307   69.040  160.367   54.171 8.940689 87.75510 
1 1 1   28   39    7 o  398.965   55.015   5.0528   0.9839   4.8224   1.8579   5.1426   1.1599  370.741   96.526  427.189   52.814 -56.44836 110.0302 
1 1 1   28   39    9 f  171.632   39.459   0.7658   0.4013   1.1967   0.6437   0.4917   0.5134  200.750   58.671  142.515   52.781 58.23482 78.91875 
1 1 1   28   39   11 o  328.625   35.079   2.9972   0.5869   2.8155   0.7697   3.2498   0.9072  318.219   47.043  339.030   52.050 -20.81140 70.15859 
1 1 1   28   39   13 o  212.882   54.235   1.1632   0.6194   0.9871   0.6830   1.9786   1.4693  183.674   61.477  242.090   89.367 -58.41638 108.4705 
1 1 1   28   39   15 o  343.063   35.091   3.3246   0.6185   3.4826   0.8908   3.1774   0.8596  351.102   49.348  335.024   49.903 16.07852 70.18223 
1 1 1   28   39   17 o  231.273   38.452   1.6064   0.4607   2.1531   0.6614   1.0911   0.6420  272.620   48.987  189.927   59.285 82.69328 76.90492 
1 1 1   28   39   19 o  190.467   40.307   1.1045   0.4285   1.2492   0.6015   0.9554   0.6106  202.520   55.926  178.413   58.059 24.10760 80.61417 
1 1 1   28   40    0 o   91.165   51.930   0.2998   0.3804   0.0000   0.0000   0.2998   0.3804   91.165   51.930   91.165   51.930 0.000000 0.000000 
1 1 1   28   40    2 o  130.569   33.183   0.3910   0.3029   0.0937   0.4505   0.6364   0.4093  110.221   46.481  150.917   47.371 -40.69633 66.36600 
1 1 1   28   40    4 o  259.320   43.033   2.0743   0.5922   1.3369   0.8806   2.6833   0.8002  209.522   69.800  309.118   50.353 -99.59602 86.06636 
1 1 1   28   40    6 f  239.913   42.833   1.7494   0.5295   1.5863   0.7797   1.8891   0.7214  227.576   63.976  252.250   56.971 -24.67482 85.66586 
1 1 1   28   40    8 o  211.616   39.717   1.3493   0.4516   1.6971   0.6244   0.9677   0.6541  241.133   51.902  182.098   60.132 59.03580 79.43338 
1 1 1   28   40   10 o  316.314   35.642   2.7761   0.5718   2.5168   0.7389   3.1633   0.9028  299.608   47.966  333.018   52.732 -33.41003 71.28385 
1 1 1   28   40   12 o  336.590   57.115   3.4058   0.8623   3.0067   0.9848   4.7174   1.7854  313.558   63.271  359.622   95.106 -46.06415 114.2299 
1 1 1   28   40   14 o  507.032   35.621   7.2500   0.9231   6.5350   1.2278   8.1796   1.4000  479.135   49.841  534.929   50.904 -55.79385 71.24139 
1 1 1   28   40   16 f  285.705   37.870   2.4084   0.5432   2.5992   0.7600   2.2091   0.7767  301.825   48.978  269.585   57.773 32.23947 75.74010 
1 1 1   28   41    1 o  213.824   39.892   1.3641   0.4473   1.1678   0.6216   1.5750   0.6443  197.507   57.637  230.142   55.167 -32.63504 79.78372 
1 1 1   28   41    3 o  170.960   37.475   0.8408   0.3691   0.6526   0.5185   1.0341   0.5256  154.502   53.523  187.419   52.466 -32.91747 74.94952 
1 1 1   28   41    5 o  293.939   44.869   2.8093   0.6845   1.5519   1.0317   3.7978   0.9148  220.426   75.550  367.453   48.425 -147.0270 89.73732 
1 1 1   28   41    7 o  144.948   36.640   0.5517   0.3462   0.4948   0.5070   0.6015   0.4740  141.360   52.435  148.536   51.190 -7.175934 73.27907 
1 1 1   28   41    9 o  252.272   45.013   1.9719   0.5773   2.0285   0.9024   1.9327   0.7510  252.415   68.009  252.129   58.986 0.2857513 90.02550 
1 1 1   28   41   11 o  181.804   47.218   0.9870   0.5935   1.2542   0.6691   0.0000   1.2859  202.098   60.024  161.510   72.906 40.58725 94.43610 
1 1 1   28   41   13 o  316.585   39.773   2.9965   0.6242   3.1075   0.8320   2.8534   0.9441  329.837   49.061  303.332   62.615 26.50540 79.54676 
1 1 1   28   42    0 o  202.553   66.037   1.4798   0.6676   2.5114   1.3762   1.1623   0.7634  238.941  106.051  166.165   78.720 0.000000 0.000000 
1 1 1   28   42    2 o  232.423   41.777   1.6458   0.5038   1.3706   0.6964   1.9480   0.7297  210.887   60.853  253.959   57.254 -43.07169 83.55300 
1 1 1   28   42    4 o  124.977   32.427   0.3530   0.2795   0.1848   0.3818   0.5470   0.4101  108.760   44.011  141.193   47.635 -32.43320 64.85377 
1 1 1   28   42    6 f  184.242   36.718   1.0232   0.3843   1.3818   0.5221   0.5988   0.5679  217.463   47.982  151.021   55.593 66.44183 73.43546 
1 1 1   28   42    8 o  373.433   37.038   4.0262   0.7101   3.8563   0.9738   4.2191   1.0378  365.478   51.827  381.388   52.927 -15.90991 74.07674 
1 1 1   29    0    1 f  158.994   53.882   0.8823   0.5925   1.4923   0.8155   0.1998   0.8625  203.948   80.741  114.040   71.374 0.000000 0.000000 
1 1 1   29    0    3 o  176.842   58.696   1.1082   0.6528   1.7507   0.9626   0.5611   0.8882  220.290   87.831  133.393   77.887 0.000000 0.000000 
1 1 1   29    0    5 o  318.275   89.311   3.1939   1.2649   0.0000   0.0000   3.1939   1.2649  318.275   89.311  318.275   89.311 0.000000 0.000000 
1 1 1   29    0    7 o  322.005   82.486   3.1785   1.1804   0.0000   0.0000   3.1785   1.1804  322.005   82.486  322.005   82.486 0.000000 0.000000 
1 1 1   29    0    9 o  136.240   70.600   0.7077   0.6389   0.7077   0.6389   0.0000   0.0000  136.240   70.600  136.240   70.600 -0.000000 0.000000 
1 1 1   29    0   11 o  110.323   46.509   0.3458   0.4582   0.2343   0.7586   0.4099   0.5749  109.770   67.915  110.875   63.560 0.000000 0.000000 
1 1 1   29    0   13 o  457.247   94.693   6.1554   1.9644   0.0000   0.0000   6.1554   1.9644  457.247   94.693  457.247   94.693 -0.000000 0.000000 
1 1 1   29    0   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   17 o  275.047   60.567   2.9134   0.8747   3.7923   1.0802   1.2394   1.4908  366.429   62.902  183.665  103.522 -0.000000 0.000000 
1 1 1   29    0   19 o  216.523   60.165   1.8238   0.7226   1.0043   1.2361   2.2492   0.8906  166.380   94.070  266.667   75.035 0.000000 0.000000 
1 1 1   29    0   21 o  553.617   56.499   8.8967   1.4015   7.2402   2.1861   10.053   1.8262  495.882   96.133  611.352   59.387 0.000000 0.000000 
1 1 1   29    0   23 o  995.425   70.743   26.608   3.5784   26.608   3.5784   0.0000   0.0000  995.425   70.743  995.425   70.743 0.000000 0.000000 
1 1 1   29    0   25 o  729.019   71.952   14.514   2.6365   14.514   2.6365   0.0000   0.0000  729.019   71.952  729.019   71.952 0.000000 0.000000 
1 1 1   29    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   31 o  586.022   66.739   9.4992   1.9434   9.4992   1.9434   0.0000   0.0000  586.022   66.739  586.022   66.739 -0.000000 0.000000 
1 1 1   29    0   33 o  541.234   54.298   8.2842   1.3385   5.9524   1.8019   11.155   1.9993  444.141   88.960  638.326   62.283 -0.000000 0.000000 
1 1 1   29    0   35 o  341.256   56.350   3.5782   0.8566   4.2794   1.2693   2.9917   1.1607  380.728   72.474  301.784   86.307 0.000000 0.000000 
1 1 1   29    0   37 o  110.649   46.368   0.3651   0.4404   0.2608   0.5511   0.5494   0.7325   97.666   59.223  123.633   71.362 -0.000000 0.000000 
1 1 1   29    0   39 o  469.774   53.712   6.4625   1.1445   8.2780   1.6886   4.9201   1.5565  543.065   62.648  396.483   87.265 0.000000 0.000000 
1 1 1   29    0   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   43 o  113.165   45.754   0.4795   0.4277   0.3099   0.6671   0.5980   0.5574  104.946   64.351  121.384   65.059 0.000000 0.000000 
1 1 1   29    0   45 o  329.513   59.641   3.6506   0.8742   4.0552   1.2265   3.2329   1.2463  358.954   75.486  300.072   92.359 -0.000000 0.000000 
1 1 1   29    1    0 o  546.317   54.695   7.9632   1.5009   0.0000   0.0000   7.9632   1.5009  546.317   54.695  546.317   54.695 -0.000000 0.000000 
1 1 1   29    1    2 o  1064.81   36.571   29.612   1.9991   27.666   2.8168   31.586   2.8376  1029.07   53.241  1100.55   50.150 -71.47668 73.14137 
1 1 1   29    1    4 o  514.698   44.803   7.1751   1.1115   7.6344   1.3809   6.3302   1.8729  541.066   49.640  488.330   74.600 52.73596 89.60639 
1 1 1   29    1    6 o  760.095   46.086   15.210   1.7987   16.318   2.5948   14.186   2.4956  787.002   64.130  733.188   66.205 53.81415 92.17229 
1 1 1   29    1    8 o  718.104   44.798   13.755   1.6305   11.447   2.3470   15.909   2.2669  657.363   69.444  778.844   56.613 -121.4815 89.59692 
1 1 1   29    1   10 o  861.311   46.517   20.399   1.8040   17.923   3.4050   21.365   2.1271  817.262   81.037  905.359   45.697 -88.09723 93.03386 
1 1 1   29    1   12 o  872.043   49.364   20.440   2.1176   19.446   3.4958   21.015   2.6615  850.566   79.941  893.519   57.936 -42.95270 98.72749 
1 1 1   29    1   14 o  497.193   42.677   6.5307   1.0904   6.8082   1.5571   6.2638   1.5275  507.708   59.654  486.678   61.046 21.03064 85.35367 
1 1 1   29    1   16 o  248.639   48.905   1.1949   0.6541   0.4620   0.7694   3.1049   1.2421  163.436   63.630  333.841   74.282 -170.4041 97.80947 
1 1 1   29    1   18 o  171.738   38.787   0.7036   0.4024   1.1252   0.6042   0.3675   0.5395  203.093   56.039  140.382   53.642 62.71019 77.57474 
1 1 1   29    1   20 o  584.282   42.260   8.3803   1.1504   7.5044   1.3379   10.864   2.2532  533.825   48.749  634.739   69.046 -100.9139 84.52090 
1 1 1   29    1   22 f  509.212   41.381   6.4952   0.9948   5.8972   1.1703   8.0522   1.8885  472.726   48.154  545.698   67.312 -72.97235 82.76273 
1 1 1   29    1   24 o  194.025   43.699   0.9713   0.5406   1.5114   0.7162   0.2562   0.8241  232.880   59.577  155.169   63.945 77.71169 87.39788 
1 1 1   29    1   26 o  240.414   54.183   1.6047   0.6537   0.0000   0.0000   1.6047   0.6537  ?   ?   240.414   54.183      ?      ? 
1 1 1   29    1   28 o  146.621   49.890   0.5386   0.4499   0.0000   0.0000   0.5386   0.4499  ?   ?   146.621   49.890      ?      ? 
1 1 1   29    1   30 o  526.830   67.834   7.7059   1.8373   7.7059   1.8373   0.0000   0.0000  526.830   67.834  ?   ?       ?      ? 
1 1 1   29    1   32 o  409.808   39.265   4.5084   0.7966   4.3480   0.9937   4.7967   1.3324  402.595   48.009  417.021   62.146 -14.42572 78.53085 
1 1 1   29    1   34 o  244.104   46.225   1.7260   0.5756   1.7516   0.7131   1.6782   0.9751  248.285   57.063  239.923   72.738 8.361740 92.45019 
1 1 1   29    1   36 o  230.044   39.195   1.4869   0.4668   1.0352   0.6332   2.0246   0.6908  191.668   58.718  268.421   51.934 -76.75340 78.38971 
1 1 1   29    1   38 o  241.851   37.179   1.6733   0.4639   2.2489   0.6549   1.0937   0.6571  288.323   44.177  195.380   59.812 92.94266 74.35782 
1 1 1   29    1   40 o  143.381   38.364   0.4358   0.3537   0.5726   0.6812   0.3853   0.4139  157.890   60.292  128.871   47.455 29.01930 76.72713 
1 1 1   29    1   42 o  178.414   43.056   0.9032   0.4726   0.8851   0.6400   0.9250   0.7008  176.407   59.509  180.420   62.242 -4.012695 86.11269 
1 1 1   29    1   44 o  143.701   36.640   0.5208   0.3307   0.4791   0.4033   0.6062   0.5775  134.911   47.181  152.492   56.070 -17.58102 73.27961 
1 1 1   29    2    1 o  544.020   53.227   7.8509   1.4820   8.8718   2.1336   6.8992   2.0600  578.974   71.677  509.067   78.707 69.90756 106.4541 
1 1 1   29    2    3 o  580.559   52.049   8.9487   1.5487   8.7883   2.2687   9.0886   2.1194  574.907   76.754  586.211   70.322 -11.30402 104.0977 
1 1 1   29    2    5 o  437.033   67.295   5.0429   1.5120   0.0000   0.0000   5.0429   1.5120  ?   ?   437.033   67.295      ?      ? 
1 1 1   29    2    7 o  1242.28   61.118   40.591   3.9035   0.0000   0.0000   40.591   3.9035  ?   ?   1242.28   61.118      ?      ? 
1 1 1   29    2    9 o  231.151   62.615   1.4556   0.7625   0.0000   0.0000   1.4556   0.7625  ?   ?   231.151   62.615      ?      ? 
1 1 1   29    2   11 o  1074.68   37.830   30.685   2.0317   32.238   2.6261   28.370   3.2067  1111.76   45.944  1037.61   60.112 74.15161 75.65909 
1 1 1   29    2   13 o  723.362   33.319   13.671   1.2389   14.051   1.7645   13.301   1.7398  733.358   46.800  713.367   47.438 19.99127 66.63760 
1 1 1   29    2   15 o  432.921   34.960   5.0014   0.7591   3.8058   1.0833   6.1550   1.0641  380.075   55.439  485.766   42.606 -105.6903 69.92004 
1 1 1   29    2   17 o  437.916   51.696   5.2973   0.9668   5.3539   1.1155   5.1263   1.9378  451.771   48.027  424.060   91.561 27.71097 103.3927 
1 1 1   29    2   19 o  637.089   47.006   10.463   1.5040   8.9960   1.8948   12.963   2.4728  580.209   63.519  693.969   69.308 -113.7601 94.01226 
1 1 1   29    2   21 o  251.076   53.840   1.7001   0.7233   1.6103   0.8824   1.8841   1.2626  240.781   68.186  261.370   83.341 -20.58897 107.6803 
1 1 1   29    2   23 o  230.135   42.253   1.4262   0.4931   1.6999   0.8053   1.2621   0.6238  246.622   63.218  213.647   56.078 32.97502 84.50612 
1 1 1   29    2   25 o  213.774   42.112   1.2753   0.4731   1.1895   0.7696   1.3275   0.5999  208.741   64.869  218.807   53.720 -10.06621 84.22484 
1 1 1   29    2   27 o  356.928   44.643   3.4107   0.7529   3.8660   1.3339   3.1978   0.9121  367.974   73.083  345.881   51.294 22.09232 89.28674 
1 1 1   29    2   29 o  359.627   50.834   3.7130   0.9008   3.6825   1.3616   3.7368   1.2012  355.855   76.685  363.400   66.752 -7.544861 101.6684 
1 1 1   29    2   31 o  407.047   79.937   4.8682   1.6132   0.0000   0.0000   4.8682   1.6132  ?   ?   407.047   79.937      ?      ? 
1 1 1   29    2   33 o  586.976   46.810   9.5862   1.4072   10.801   2.0558   8.5151   1.9304  623.250   64.157  550.701   68.180 72.54840 93.61959 
1 1 1   29    2   35 o  164.703   36.149   0.7293   0.3908   1.1673   0.4945   0.0000   0.6380  204.145   47.931  125.260   54.126 78.88526 72.29762 
1 1 1   29    2   37 o  213.720   41.813   1.2606   0.4546   1.1267   0.5558   1.5313   0.7901  198.831   53.290  228.608   64.449 -29.77643 83.62666 
1 1 1   29    2   39 o  373.304   40.664   3.7347   0.7532   4.6851   1.2863   3.2389   0.9291  405.192   61.747  341.417   52.930 63.77515 81.32759 
1 1 1   29    2   41 o  207.669   42.190   1.2083   0.4719   0.9047   0.6031   1.6877   0.7578  178.044   57.687  237.293   61.580 -59.24887 84.37973 
1 1 1   29    2   43 o  199.746   41.575   1.1047   0.4302   1.5202   0.7752   0.9198   0.5172  222.050   64.243  177.443   52.790 44.60689 83.15002 
1 1 1   29    2   45 o  193.353   42.717   1.0982   0.4479   0.9902   0.5427   1.3289   0.7934  181.698   54.079  205.009   66.139 -23.31081 85.43346 
1 1 1   29    3    0 o  112.895   67.563   0.3484   0.6986   0.3484   0.6986   0.0000   0.0000  112.895   67.563  112.895   67.563 0.000000 0.000000 
1 1 1   29    3    2 o  1033.90   46.592   28.838   2.2882   26.339   4.0032   30.050   2.7886  994.582   78.288  1073.22   50.540 -78.64142 93.18370 
1 1 1   29    3    4 o  207.239   44.742   1.0767   0.4927   1.3327   0.8798   0.9596   0.5948  224.364   69.293  190.113   56.621 34.25047 89.48488 
1 1 1   29    3    6 o  589.686   62.586   9.1538   1.8975   0.0000   0.0000   9.1538   1.8975  ?   ?   589.686   62.586      ?      ? 
1 1 1   29    3    8 o  593.203   45.069   9.4316   1.3507   7.9837   1.9902   10.668   1.8392  548.601   70.562  637.806   56.088 -89.20569 90.13786 
1 1 1   29    3   10 o  832.224   42.470   18.139   1.8111   20.320   2.6658   16.269   2.4680  878.784   59.004  785.663   61.100 93.12128 84.93942 
1 1 1   29    3   12 o  201.474   45.301   1.0782   0.5102   1.1873   0.6069   0.8151   0.9423  208.915   55.544  194.033   71.580 14.88181 90.60271 
1 1 1   29    3   14 o  384.659   53.954   4.5220   0.9121   5.0623   1.0677   3.0637   1.7543  439.945   47.206  329.374   97.033 110.5710 107.9071 
1 1 1   29    3   16 o  261.627   48.490   1.8314   0.5892   1.7949   0.6734   1.9503   1.2170  256.756   52.774  266.499   81.363 -9.742859 96.97951 
1 1 1   29    3   18 o  214.577   50.567   1.2136   0.6377   1.3732   0.7602   0.8347   1.1714  223.801   63.259  205.353   78.908 18.44832 101.1348 
1 1 1   29    3   20 o  418.039   39.005   4.6318   0.8160   4.6459   1.3126   4.6230   1.0417  417.072   61.215  419.006   48.357 -1.934235 78.01067 
1 1 1   29    3   22 o  686.411   39.725   12.995   1.3294   10.904   2.1471   14.295   1.6929  635.573   65.708  737.250   44.663 -101.6762 79.45014 
1 1 1   29    3   24 o  715.584   32.575   13.567   1.1935   14.838   1.6790   12.268   1.6968  750.605   43.508  680.563   48.494 70.04163 65.15022 
1 1 1   29    3   26 o  441.899   39.744   4.6229   0.8474   7.6004   1.5407   3.3316   1.0146  531.692   56.364  352.106   56.049 179.5859 79.48808 
1 1 1   29    3   28 o  179.606   39.284   0.7380   0.4088   0.3711   0.5119   1.3839   0.6792  137.219   52.297  221.993   58.635 -84.77422 78.56870 
1 1 1   29    3   30 o  232.195   38.329   1.5077   0.4567   1.9820   0.6587   1.0687   0.6337  268.181   49.600  196.209   58.450 71.97145 76.65835 
1 1 1   29    3   32 o  190.719   71.792   0.8452   0.9573   0.0000   0.0000   0.8452   0.9573  ?   ?   190.719   71.792      ?      ? 
1 1 1   29    3   34 o  410.317   39.889   4.4198   0.8068   5.3304   1.3948   3.9619   0.9891  438.074   61.931  382.560   50.289 55.51416 79.77699 
1 1 1   29    3   36 o  435.012   51.655   5.5982   1.0932   7.3391   1.5650   3.9392   1.5278  513.387   59.294  356.636   84.601 156.7510 103.3109 
1 1 1   29    3   38 o  259.547   40.407   1.8108   0.5124   1.3844   0.6370   2.5930   0.8627  218.821   56.295  300.273   57.981 -81.45248 80.81412 
1 1 1   29    3   40 o  172.695   38.055   0.7297   0.4007   0.2843   0.5232   1.3619   0.6232  129.427   51.816  215.964   55.748 -86.53705 76.10986 
1 1 1   29    3   42 o  149.279   36.996   0.5902   0.3791   0.8507   0.4552   0.0000   0.6851  171.950   49.071  126.609   55.378 45.34106 73.99152 
1 1 1   29    3   44 f  129.874   36.579   0.3258   0.3358   0.3238   0.3919   0.3313   0.6518  120.664   45.811  139.083   57.038 -18.41906 73.15710 
1 1 1   29    4    1 o  509.721   37.787   6.8361   0.9816   5.8673   1.3974   7.7800   1.3793  473.173   57.442  546.269   49.112 -73.09622 75.57452 
1 1 1   29    4    3 o  263.080   40.851   1.8774   0.5376   2.0817   0.7782   1.6910   0.7436  277.118   56.538  249.042   58.982 28.07661 81.70277 
1 1 1   29    4    5 o  764.644   46.522   15.338   1.8226   16.518   2.7191   14.376   2.4560  790.856   66.875  738.431   64.692 52.42468 93.04427 
1 1 1   29    4    7 o  348.444   47.267   3.2195   0.8246   4.1558   1.2379   2.4728   1.1055  397.475   60.577  299.412   72.574 98.06342 94.53333 
1 1 1   29    4    9 o  910.323   63.736   21.880   2.9830   21.880   2.9830   0.0000   0.0000  910.323   63.736  ?   ?       ?      ? 
1 1 1   29    4   11 o  916.375   43.781   21.033   1.8806   19.531   2.2077   25.006   3.5903  864.130   49.693  968.619   72.095 -104.4886 87.56169 
1 1 1   29    4   13 o  404.770   51.506   4.6627   0.9154   4.9127   1.0763   4.0091   1.7404  433.328   48.313  376.212   90.979 57.11557 103.0115 
1 1 1   29    4   15 o  567.490   40.188   8.8949   1.1034   7.0850   1.7800   10.024   1.4061  515.479   67.165  619.501   44.149 -104.0223 80.37609 
1 1 1   29    4   17 o  516.216   39.011   7.0577   1.0052   6.9556   1.6205   7.1215   1.2815  511.458   61.629  520.973   47.846 -9.514709 78.02101 
1 1 1   29    4   19 o  242.504   54.702   1.5288   0.7195   1.4434   0.8545   1.7367   1.3335  229.477   67.757  255.532   85.898 -26.05588 109.4047 
1 1 1   29    4   21 o  206.977   41.774   1.0719   0.4719   1.6923   0.7614   0.6849   0.6014  246.890   60.465  167.063   57.657 79.82671 83.54778 
1 1 1   29    4   23 o  281.581   36.838   2.1415   0.5218   1.9827   0.7356   2.3023   0.7403  268.208   55.184  294.953   48.816 -26.74469 73.67650 
1 1 1   29    4   25 o  536.447   40.353   7.3568   1.0528   8.9057   1.8785   6.6476   1.2712  572.731   63.796  500.163   49.433 72.56860 80.70653 
1 1 1   29    4   27 o  326.725   42.900   3.1677   0.6575   3.6985   0.8265   2.2529   1.0850  374.049   42.976  279.402   74.261 94.64713 85.79961 
1 1 1   29    4   29 o  329.847   35.158   2.9093   0.5948   2.6412   0.8256   3.1985   0.8575  313.675   51.196  346.020   48.202 -32.34488 70.31684 
1 1 1   29    4   31 o  208.038   38.011   1.1939   0.4158   0.8820   0.5655   1.5607   0.6133  179.636   55.570  236.440   51.878 -56.80417 76.02193 
1 1 1   29    4   33 o  189.098   39.373   1.0021   0.4602   0.2497   0.7188   1.5246   0.5991  144.873   59.713  233.323   51.334 -88.45003 78.74522 
1 1 1   29    4   35 o  178.174   40.393   0.6684   0.4100   1.4556   0.7524   0.3360   0.4889  224.554   62.744  131.794   50.887 92.75978 80.78598 
1 1 1   29    4   37 o  233.954   43.964   1.6069   0.5284   1.5283   0.8673   1.6533   0.6664  227.683   68.502  240.224   55.124 -12.54137 87.92711 
1 1 1   29    4   39 o  308.019   75.541   2.9374   1.1872   2.9374   1.1872   0.0000   0.0000  308.019   75.541  ?   ?       ?      ? 
1 1 1   29    4   41 o   93.233   40.179   0.0000   0.3497   0.0000   0.3497   0.0000   0.0000   93.233   40.179  ?   ?       ?      ? 
1 1 1   29    4   43 o  225.415   49.277   1.6006   0.6283   1.5495   0.8655   1.6575   0.9136  222.205   68.747  228.625   70.617 -6.420273 98.55386 
1 1 1   29    5    0 o  572.245   54.117   8.7123   1.5594   8.7123   1.5594   0.0000   0.0000  572.245   54.117  572.245   54.117 0.000000 0.000000 
1 1 1   29    5    2 o  752.606   36.372   14.789   1.4072   15.049   2.0071   14.538   1.9735  759.102   51.427  746.111   51.449 12.99121 72.74435 
1 1 1   29    5    4 o  1039.96   46.558   29.169   2.2894   30.262   2.7765   26.847   4.0465  1076.73   50.156  1003.20   78.455 73.53046 93.11697 
1 1 1   29    5    6 o  207.477   68.625   1.0934   0.8517   1.0934   0.8517   0.0000   0.0000  207.477   68.625  ?   ?       ?      ? 
1 1 1   29    5    8 o  780.155   66.764   16.106   2.6779   16.106   2.6779   0.0000   0.0000  780.155   66.764  ?   ?       ?      ? 
1 1 1   29    5   10 f  666.299   50.858   11.750   1.7104   11.444   2.2061   12.212   2.7079  657.528   65.260  675.070   78.021 -17.54218 101.7161 
1 1 1   29    5   12 o  577.202   40.628   8.9944   1.1348   8.0711   1.9070   9.5005   1.4120  551.113   67.306  603.292   45.524 -52.17920 81.25563 
1 1 1   29    5   14 o  296.696   44.321   2.5889   0.6320   1.7472   1.0841   3.0221   0.7778  253.209   76.679  340.183   44.470 -86.97421 88.64123 
1 1 1   29    5   16 o  448.723   39.770   5.4290   0.8707   4.9412   1.4447   5.7073   1.0911  430.462   65.278  466.984   45.447 -36.52151 79.54030 
1 1 1   29    5   18 o  479.944   34.987   6.1299   0.8503   7.2232   1.1916   4.9959   1.2136  525.176   44.134  434.712   54.301 90.46426 69.97416 
1 1 1   29    5   20 o  382.549   48.958   3.6311   0.7994   3.3085   0.9021   4.8105   1.7247  354.146   49.546  410.953   84.455 -56.80679 97.91515 
1 1 1   29    5   22 o  275.065   43.799   2.2263   0.6145   1.3786   0.9860   2.7646   0.7857  226.437   73.785  323.694   47.215 -97.25670 87.59827 
1 1 1   29    5   24 o  251.974   44.841   1.5996   0.5457   2.3668   1.0068   1.2805   0.6493  289.168   68.731  214.780   57.610 74.38794 89.68225 
1 1 1   29    5   26 o  371.274   45.684   4.3352   0.7708   5.5876   0.9806   2.3103   1.2469  460.442   41.425  282.106   81.438 178.3358 91.36800 
1 1 1   29    5   28 f  144.105   33.951   0.5114   0.3045   0.3025   0.4315   0.7186   0.4297  125.558   47.973  162.653   48.056 -37.09579 67.90289 
1 1 1   29    5   30 o  153.130   35.108   0.6000   0.3267   0.8248   0.4588   0.3688   0.4654  173.055   49.225  133.204   50.072 39.85030 70.21596 
1 1 1   29    5   32 o  148.133   39.112   0.4914   0.3760   0.5592   0.4373   0.2989   0.7369  147.275   49.190  148.991   60.822 -1.716019 78.22417 
1 1 1   29    5   34 o  319.872   43.331   2.8268   0.6734   3.1038   1.1248   2.6721   0.8408  326.300   69.196  313.445   52.173 12.85553 86.66111 
1 1 1   29    5   36 o  290.500   37.743   2.4645   0.5347   3.4951   0.7492   1.3947   0.7633  361.733   40.283  219.267   63.839 142.4661 75.48585 
1 1 1   29    5   38 o  289.913   73.986   2.5715   1.1064   2.5715   1.1064   0.0000   0.0000  289.913   73.986  ?   ?       ?      ? 
1 1 1   29    5   40 o  425.715   52.975   5.4551   1.1208   4.3409   1.5039   6.8472   1.6810  369.272   81.405  482.156   67.814 -112.8839 105.9507 
1 1 1   29    5   42 o  292.085   55.322   2.4953   0.8003   2.4953   0.8003   0.0000   0.0000  292.085   55.322  ?   ?       ?      ? 
1 1 1   29    5   44 o  179.867   60.873   0.9577   0.6697   0.9577   0.6697   0.0000   0.0000  179.867   60.873  ?   ?       ?      ? 
1 1 1   29    6    1 o  202.124   51.403   0.9151   0.6787   0.7786   0.9102   1.0860   1.0186  190.836   70.358  213.412   74.958 -22.57559 102.8052 
1 1 1   29    6    3 o  321.003   57.493   2.8891   0.9530   3.2192   1.2840   2.4844   1.4219  341.719   75.133  300.288   87.045 41.43057 114.9861 
1 1 1   29    6    5 o  627.396   53.098   10.581   1.6934   11.983   2.3510   9.0694   2.4412  672.971   67.950  581.822   81.611 91.14917 106.1959 
1 1 1   29    6    7 f  445.742   45.583   5.2455   1.0326   5.2578   1.5841   5.2364   1.3617  445.293   69.195  446.190   59.358 -0.8970337 91.16620 
1 1 1   29    6    9 o  685.596   43.652   12.124   1.5067   16.170   2.3082   9.1201   1.9890  784.299   57.243  586.893   65.917 197.4063 87.30304 
1 1 1   29    6   11 o  504.933   38.991   6.5697   0.9698   7.1543   1.6528   6.2629   1.1975  520.319   61.786  489.546   47.580 30.77310 77.98296 
1 1 1   29    6   13 o  265.400   37.983   1.9043   0.4987   2.0394   0.7446   1.7943   0.6717  273.853   54.797  256.947   52.614 16.90671 75.96693 
1 1 1   29    6   15 o  430.444   34.565   4.8566   0.7632   5.3116   1.0959   4.4281   1.0635  450.275   47.339  410.613   50.377 39.66177 69.12916 
1 1 1   29    6   17 o  427.136   34.847   4.8115   0.7615   4.2816   1.0782   5.3390   1.0757  403.049   52.032  451.223   46.369 -48.17343 69.69486 
1 1 1   29    6   19 o  485.946   33.639   6.2091   0.8402   6.0479   1.1742   6.3782   1.2029  479.473   47.633  492.419   47.513 -12.94547 67.27825 
1 1 1   29    6   21 o  328.053   50.558   2.7588   0.7211   2.5728   0.8146   3.4325   1.5503  311.797   50.819  344.308   87.419 -32.51041 101.1165 
1 1 1   29    6   23 f  213.889   53.786   1.2653   0.5909   0.0000   0.0000   1.2653   0.5909  ?   ?   213.889   53.786      ?      ? 
1 1 1   29    6   25 o  139.096   34.849   0.4073   0.3401   0.7209   0.4525   0.0000   0.5156  163.760   49.525  114.432   49.041 49.32860 69.69746 
1 1 1   29    6   27 o  179.941   43.964   0.7694   0.4366   0.7237   0.4970   0.9240   0.9142  164.942   52.255  194.941   70.717 -29.99979 87.92822 
1 1 1   29    6   29 o  452.398   32.964   5.4687   0.7625   5.5783   1.0329   5.3374   1.1304  458.333   43.832  446.463   49.248 11.87015 65.92899 
1 1 1   29    6   31 o  228.467   37.829   1.4523   0.4353   1.3105   0.5858   1.6271   0.6506  216.092   53.106  240.841   53.888 -24.74922 75.65851 
1 1 1   29    6   33 o  291.022   47.830   2.5121   0.6421   2.6247   0.7415   2.1741   1.2843  312.822   46.102  269.220   83.818 43.60193 95.66018 
1 1 1   29    6   35 o  138.454   32.888   0.4133   0.2904   0.1461   0.3786   0.7951   0.4525  107.730   43.743  169.177   49.122 -61.44610 65.77544 
1 1 1   29    6   37 f  405.936   55.004   5.0333   1.1020   5.4411   1.4546   4.4836   1.6885  436.841   64.765  375.031   88.923 61.80988 110.0082 
1 1 1   29    6   39 o  250.031   49.004   1.7151   0.5717   1.5453   0.6488   2.3050   1.2091  230.670   55.402  269.392   80.846 -38.72194 98.00733 
1 1 1   29    6   41 o  128.463   37.699   0.2023   0.4114   0.0000   0.6484   0.3385   0.5322  123.851   54.031  133.074   52.587 -9.223289 75.39733 
1 1 1   29    6   43 o  233.910   69.256   1.7367   0.8917   1.7367   0.8917   0.0000   0.0000  233.910   69.256  ?   ?       ?      ? 
1 1 1   29    7    0 o  542.514   88.123   8.2952   2.2634   8.2952   2.2634   0.0000   0.0000  542.514   88.123  542.514   88.123 0.000000 0.000000 
1 1 1   29    7    2 o  595.305   46.836   9.6119   1.3044   8.7196   2.3379   10.015   1.5717  571.153   79.618  619.458   49.351 -48.30591 93.67278 
1 1 1   29    7    4 o  167.678   38.964   0.7381   0.4093   0.0000   0.7978   1.0016   0.4768  143.096   61.156  192.261   48.298 -49.16470 77.92768 
1 1 1   29    7    6 o  264.356   75.656   1.9123   1.0804   1.9123   1.0804   0.0000   0.0000  264.356   75.656  ?   ?       ?      ? 
1 1 1   29    7    8 o  248.616   46.679   1.5959   0.6008   2.2251   0.9756   1.2115   0.7625  284.269   67.718  212.962   64.265 71.30714 93.35769 
1 1 1   29    7   10 o  733.856   43.937   15.572   1.4751   10.749   2.5027   18.139   1.8259  633.177   76.882  834.536   42.557 -201.3587 87.87437 
1 1 1   29    7   12 o  541.221   34.552   7.6721   0.9600   7.6196   1.3934   7.7195   1.3244  539.171   50.268  543.270   47.417 -4.099243 69.10309 
1 1 1   29    7   14 o  295.685   39.190   2.3382   0.5755   3.2341   0.8512   1.5839   0.7810  351.446   47.108  239.923   62.643 111.5223 78.37935 
1 1 1   29    7   16 o  285.027   38.022   2.2066   0.5365   2.3577   0.7695   2.0636   0.7485  295.016   52.662  275.038   54.857 19.97855 76.04350 
1 1 1   29    7   18 o  296.246   37.571   2.3766   0.5531   1.8863   0.7780   2.8776   0.7865  261.431   59.254  331.061   46.210 -69.63068 75.14261 
1 1 1   29    7   20 o  495.043   34.485   6.5428   0.8656   7.5239   1.2009   5.4821   1.2487  535.402   43.629  454.685   53.417 80.71640 68.96970 
1 1 1   29    7   22 o  322.996   49.861   2.2933   0.9272   0.3561   1.1537   5.8274   1.5583  181.857   75.364  464.134   65.305 -282.2767 99.72192 
1 1 1   29    7   24 o  337.559   39.543   3.0816   0.6517   3.0341   0.8304   3.1578   1.0516  338.335   47.736  336.783   63.054 1.551636 79.08554 
1 1 1   29    7   26 o  348.456   33.864   3.2297   0.6064   3.3609   0.8612   3.1008   0.8539  355.663   47.096  341.249   48.673 14.41449 67.72832 
1 1 1   29    7   28 o  134.817   33.351   0.4374   0.2834   0.4324   0.4315   0.4412   0.3757  136.168   48.688  133.465   45.593 2.702896 66.70264 
1 1 1   29    7   30 o  219.124   41.756   1.1519   0.4922   2.1964   0.8398   0.6053   0.6075  278.553   60.381  159.695   57.693 118.8578 83.51199 
1 1 1   29    7   32 o  333.254   42.931   2.9630   0.7057   3.8102   1.1616   2.4673   0.8885  371.731   60.779  294.778   60.648 76.95340 85.86181 
1 1 1   29    7   34 o  296.816   54.458   2.5674   0.8320   2.1171   1.0796   3.2258   1.3054  266.370   75.421  327.262   78.578 -60.89178 108.9162 
1 1 1   29    7   36 o  178.918   46.596   0.6441   0.5702   0.2375   0.7223   1.3168   0.9290  143.322   59.531  214.514   71.699 -71.19199 93.19158 
1 1 1   29    7   38 o  187.074   45.641   0.6907   0.4650   0.4258   0.5246   1.6624   1.0048  139.746   53.018  234.402   74.307 -94.65581 91.28175 
1 1 1   29    7   40 o  195.139   47.758   0.8422   0.4772   0.6509   0.5272   1.7089   1.1223  156.168   53.978  234.110   78.802 -77.94193 95.51675 
1 1 1   29    7   42 o  551.076   51.187   9.4744   1.4138   10.626   1.9100   8.0794   2.1026  601.020   61.812  501.131   81.607 99.88840 102.3736 
1 1 1   29    7   44 o  224.719   39.297   1.1137   0.4602   0.4528   0.5390   2.8897   0.8836  139.343   53.531  310.096   57.545 -170.7531 78.59357 
1 1 1   29    8    1 o  334.896   46.043   2.5556   0.7465   1.5130   0.8951   4.9387   1.3532  236.583   69.199  433.209   60.757 -196.6260 92.08678 
1 1 1   29    8    3 o  943.301   44.759   22.653   2.0518   21.096   2.4853   25.988   3.6360  897.460   53.864  989.143   71.498 -91.68262 89.51719 
1 1 1   29    8    5 o  344.866   55.287   3.3698   1.0352   5.0917   1.4294   1.4699   1.5014  439.220   63.297  250.512   90.664 188.7088 110.5739 
1 1 1   29    8    7 o  619.597   71.213   10.215   2.2685   10.215   2.2685   0.0000   0.0000  619.597   71.213  ?   ?       ?      ? 
1 1 1   29    8    9 o  539.178   45.607   7.8353   1.2301   6.9952   1.9116   8.4290   1.6070  511.954   72.626  566.402   55.187 -54.44775 91.21426 
1 1 1   29    8   11 o  180.887   36.790   0.8324   0.3629   1.1751   0.5666   0.5940   0.4726  207.644   52.916  154.130   51.126 53.51433 73.57957 
1 1 1   29    8   13 o  449.814   36.357   5.4706   0.8115   3.9867   1.1754   6.8223   1.1218  388.292   58.876  511.335   42.673 -123.0428 72.71439 
1 1 1   29    8   15 o  737.319   33.409   14.254   1.2660   14.774   1.7990   13.743   1.7818  750.840   46.604  723.798   47.883 27.04175 66.81855 
1 1 1   29    8   17 o  236.724   39.566   1.5601   0.4729   1.3691   0.7164   1.7075   0.6295  223.089   60.800  250.359   50.648 -27.27005 79.13144 
1 1 1   29    8   19 o  431.364   34.282   4.8966   0.7555   4.1915   1.0443   5.6708   1.0943  398.266   50.999  464.462   45.828 -66.19531 68.56472 
1 1 1   29    8   21 o  189.456   41.618   0.8889   0.4583   1.3722   0.7094   0.5427   0.6005  222.502   60.444  156.410   57.226 66.09190 83.23648 
1 1 1   29    8   23 o  550.466   61.660   8.1801   1.7450   8.1801   1.7450   0.0000   0.0000  550.466   61.660  ?   ?       ?      ? 
1 1 1   29    8   25 o  590.792   32.592   9.2089   0.9870   8.2948   1.3499   10.259   1.4468  559.095   46.961  622.490   45.206 -63.39563 65.18325 
1 1 1   29    8   27 o  404.203   34.594   4.4357   0.7034   5.3066   0.9778   3.5020   1.0125  447.883   42.464  360.524   54.623 87.35822 69.18761 
1 1 1   29    8   29 o  202.089   41.983   1.1574   0.4569   0.9735   0.7859   1.2512   0.5616  192.553   65.936  211.626   51.987 -19.07286 83.96554 
1 1 1   29    8   31 o  252.451   47.795   1.4629   0.5249   1.1968   0.5807   2.6527   1.2277  206.334   54.080  298.568   78.822 -92.23415 95.59086 
1 1 1   29    8   33 o  333.355   49.061   2.9837   0.7038   2.8044   0.7958   3.6275   1.5079  322.608   47.980  344.101   85.591 -21.49304 98.12171 
1 1 1   29    8   35 o  239.240   82.278   1.6745   1.2241   0.0000   0.0000   1.6745   1.2241  ?   ?   239.240   82.278      ?      ? 
1 1 1   29    8   37 f  354.773   49.478   3.4479   0.9025   3.4479   0.9025   0.0000   0.0000  354.773   49.478  ?   ?       ?      ? 
1 1 1   29    8   39 o  273.332   50.054   2.2136   0.6353   2.1518   0.7264   2.4146   1.3099  273.788   53.523  272.877   84.599 0.9111633 100.1084 
1 1 1   29    8   41 o  231.246   49.963   1.5756   0.5714   1.5242   0.6417   1.7726   1.2553  227.330   55.411  235.162   83.155 -7.832321 99.92541 
1 1 1   29    8   43 o  109.399   35.603   0.0000   0.2255   0.0000   0.2325   0.0000   0.9220   76.410   32.845  142.389   63.179 -65.97894 71.20686 
1 1 1   29    9    0 f  431.411   57.379   5.0795   1.2097   0.0000   0.0000   5.0795   1.2097  431.411   57.379  431.411   57.379 -0.000000 0.000000 
1 1 1   29    9    2 o  423.416   43.455   4.3042   0.8823   5.9493   1.6505   3.6460   1.0439  473.887   67.743  372.945   54.444 100.9423 86.90982 
1 1 1   29    9    4 o  642.887   34.682   10.685   1.1393   11.837   1.7324   9.8071   1.5124  672.879   50.078  612.894   47.996 59.98474 69.36423 
1 1 1   29    9    6 o  328.597   44.689   2.6718   0.6640   3.6241   1.2946   2.3318   0.7735  363.170   71.878  294.025   53.123 69.14447 89.37862 
1 1 1   29    9    8 o  319.053   48.044   2.7767   0.7517   2.9139   1.1917   2.6861   0.9687  324.390   73.192  313.717   62.257 10.67294 96.08876 
1 1 1   29    9   10 o  780.341   52.083   16.379   2.0556   16.753   2.6980   15.860   3.1735  794.069   66.087  766.613   80.519 27.45636 104.1667 
1 1 1   29    9   12 o  193.306   40.974   1.0401   0.4339   0.6504   0.8035   1.2005   0.5155  176.621   65.909  209.991   48.696 -33.36961 81.94705 
1 1 1   29    9   14 o  1114.58   33.360   32.536   1.9100   34.467   2.7406   30.711   2.6634  1147.04   46.473  1082.12   47.874 64.92322 66.72059 
1 1 1   29    9   16 o  455.725   35.991   5.5488   0.8179   7.1764   1.1690   3.9885   1.1446  523.644   43.424  387.806   57.409 135.8380 71.98215 
1 1 1   29    9   18 o  313.658   46.444   2.7692   0.6916   2.4616   1.2175   2.9158   0.8404  294.726   78.821  332.590   49.147 -37.86386 92.88742 
1 1 1   29    9   20 o  322.797   48.824   2.8994   0.7795   3.0860   1.1941   2.7608   1.0291  330.912   72.215  314.682   65.728 16.22952 97.64854 
1 1 1   29    9   22 o  209.358   37.196   1.2146   0.4028   1.4126   0.5647   1.0095   0.5748  226.674   49.818  192.041   55.247 34.63237 74.39165 
1 1 1   29    9   24 o  167.309   47.075   0.2589   0.5471   0.0000   0.6325   1.0286   1.0905  126.224   54.211  208.393   76.978 -82.16859 94.15074 
1 1 1   29    9   26 o  297.825   41.970   1.8654   0.5776   1.1710   0.6600   4.1357   1.1935  205.211   59.253  390.440   59.456 -185.2289 83.93962 
1 1 1   29    9   28 o  358.541   44.385   3.2190   0.7134   2.8205   0.8221   4.4342   1.4355  324.566   49.265  392.516   73.846 -67.94965 88.77082 
1 1 1   29    9   30 o  241.301   44.112   1.8758   0.5589   2.2351   0.6377   0.6847   1.1611  289.998   42.771  192.604   77.162 97.39404 88.22363 
1 1 1   29    9   32 o  371.967   46.580   3.5202   0.7576   3.1343   0.8634   4.8123   1.5799  340.917   49.258  403.016   79.074 -62.09912 93.16077 
1 1 1   29    9   34 o  261.914   53.569   1.9695   0.7350   1.7449   0.9087   2.3947   1.2502  243.709   69.259  280.119   81.742 -36.41034 107.1382 
1 1 1   29    9   36 o  199.026   62.320   1.1309   0.7088   1.1309   0.7088   0.0000   0.0000  199.026   62.320  ?   ?       ?      ? 
1 1 1   29    9   38 o  458.085   55.454   7.1238   1.0237   7.8546   1.1842   4.9637   2.0361  538.561   42.770  377.609  102.329 160.9521 110.9076 
1 1 1   29    9   40 o  339.892   46.104   2.8613   0.6898   2.2296   0.7848   5.0077   1.4466  275.781   57.228  404.004   72.301 -128.2230 92.20851 
1 1 1   29    9   42 o  393.595   51.245   4.8461   0.8829   4.8709   1.0314   4.7781   1.7083  416.822   48.127  370.369   90.488 46.45300 102.4909 
1 1 1   29    9   44 o  175.612   39.860   0.9762   0.4152   1.1566   0.4737   0.3777   0.8628  198.682   47.091  152.542   64.326 46.14067 79.72071 
1 1 1   29   10    1 o  777.233   36.129   15.882   1.4365   14.659   2.0807   16.995   1.9856  747.676   54.128  806.789   47.869 -59.11334 72.25872 
1 1 1   29   10    3 f  639.682   44.184   10.780   1.2915   10.854   2.4749   10.752   1.5140  637.299   75.534  642.066   45.864 -4.767090 88.36826 
1 1 1   29   10    5 f  369.710   42.039   2.8853   0.6985   5.8195   1.4415   1.9851   0.7984  469.891   59.670  269.529   59.235 200.3616 84.07887 
1 1 1   29   10    7 o  296.302   49.232   2.3719   0.7143   2.6277   1.1969   2.2304   0.8902  307.366   76.136  285.238   62.437 22.12827 98.46371 
1 1 1   29   10    9 o  578.260   43.750   8.6806   1.2870   10.087   2.0051   7.6953   1.6783  616.964   63.212  539.555   60.501 77.40894 87.49960 
1 1 1   29   10   11 o  631.228   51.374   10.454   1.6418   9.4330   2.1101   12.021   2.6134  594.273   69.064  668.183   76.074 -73.90961 102.7475 
1 1 1   29   10   13 o  681.623   39.320   11.953   1.3194   13.358   2.2626   11.229   1.6241  708.971   62.073  654.274   48.283 54.69653 78.64082 
1 1 1   29   10   15 o  494.067   34.164   6.4174   0.8637   7.2409   1.2376   5.6355   1.2058  525.526   45.805  462.608   50.700 62.91782 68.32725 
1 1 1   29   10   17 o  197.500   42.861   1.0523   0.4589   0.9218   0.8290   1.1100   0.5511  193.738   67.646  201.262   52.654 -7.523788 85.72298 
1 1 1   29   10   19 o  293.852   41.611   2.3718   0.5967   2.3403   0.7704   2.4190   0.9433  292.944   53.110  294.760   64.073 -1.815857 83.22281 
1 1 1   29   10   21 o  115.227   31.756   0.2129   0.2747   0.1006   0.3960   0.3169   0.3812  107.492   44.316  122.962   45.496 -15.46988 63.51207 
1 1 1   29   10   23 o  722.425   43.416   13.030   1.3911   12.049   1.5813   16.386   2.9255  675.015   45.565  769.836   73.916 -94.82117 86.83133 
1 1 1   29   10   25 o  389.079   51.033   3.6547   0.9760   1.6281   1.1907   7.8031   1.7036  242.620   81.172  535.537   61.874 -292.9167 102.0655 
1 1 1   29   10   27 o  502.606   44.967   6.8303   1.0023   6.7310   1.1556   7.1320   2.0141  503.398   44.650  501.815   78.068 1.583130 89.93494 
1 1 1   29   10   29 o  319.071   48.807   3.0731   0.7023   3.2823   0.8152   2.4710   1.3831  350.909   45.185  287.232   86.526 63.67722 97.61342 
1 1 1   29   10   31 o  265.625   47.646   2.0668   0.5945   2.1531   0.6753   1.7699   1.2531  283.502   46.332  247.749   83.269 35.75311 95.29160 
1 1 1   29   10   33 o  220.432   51.624   1.2567   0.6339   1.0422   0.7524   1.7812   1.1766  194.745   64.504  246.120   80.620 -51.37529 103.2487 
1 1 1   29   10   35 o  380.165   37.496   3.8429   0.7329   3.8429   0.7329   0.0000   0.0000  380.165   37.496  ?   ?       ?      ? 
1 1 1   29   10   37 o  193.804   40.094   1.1331   0.3951   1.2385   0.4427   0.7209   0.8757  210.981   42.290  176.627   68.129 34.35338 80.18708 
1 1 1   29   10   39 o  410.985   44.583   4.3973   0.7142   4.0858   0.7856   5.8833   1.7156  389.207   39.258  432.763   80.058 -43.55530 89.16568 
1 1 1   29   10   41 o  188.514   43.154   0.6506   0.3525   0.4721   0.3771   1.8835   0.9909  133.817   45.677  243.211   73.231 -109.3942 86.30885 
1 1 1   29   10   43 o  233.546   44.095   1.2317   0.4260   0.9710   0.4631   2.6664   1.0863  181.954   48.586  285.139   73.600 -103.1848 88.19036 
1 1 1   29   11    0 o  268.042   66.362   2.1752   0.7916   0.0000   0.0000   2.1752   0.7916  268.042   66.362  268.042   66.362 -0.000000 0.000000 
1 1 1   29   11    2 o  621.053   35.446   10.185   1.1173   9.4059   1.6805   10.802   1.4957  598.552   54.609  643.553   45.207 -45.00061 70.89253 
1 1 1   29   11    4 o  466.144   47.634   5.9959   0.9605   5.5261   1.8560   6.1677   1.1225  446.013   84.024  486.276   44.899 -40.26355 95.26734 
1 1 1   29   11    6 o  901.253   40.689   20.410   1.7303   23.928   3.2570   19.027   2.0424  949.077   66.750  853.428   46.548 95.64978 81.37755 
1 1 1   29   11    8 o  527.126   46.450   7.4503   1.2212   7.0840   1.9516   7.6861   1.5657  514.115   73.835  540.137   56.380 -26.02203 92.89978 
1 1 1   29   11   10 o  326.842   44.796   2.7611   0.6831   3.2363   1.2594   2.5631   0.8131  341.199   73.927  312.485   50.611 28.71405 89.59206 
1 1 1   29   11   12 o  644.678   34.940   10.898   1.1360   13.892   1.6636   8.2822   1.5551  728.852   44.397  560.503   53.963 168.3481 69.87935 
1 1 1   29   11   14 o  425.422   47.701   4.7523   1.0433   0.0000   0.0000   4.7523   1.0433  ?   ?   425.422   47.701      ?      ? 
1 1 1   29   11   16 o  498.279   45.941   6.3435   1.1468   8.7487   1.8521   4.8480   1.4604  571.894   62.991  424.665   66.890 147.2285 91.88151 
1 1 1   29   11   18 o  496.806   47.445   6.5043   1.2118   6.5043   1.2118   0.0000   0.0000  496.806   47.445  ?   ?       ?      ? 
1 1 1   29   11   20 o  408.603   48.367   4.1594   0.8300   3.8142   0.9323   5.4792   1.8229  379.923   47.730  437.283   84.138 -57.35980 96.73315 
1 1 1   29   11   22 o  386.895   54.542   4.3365   0.8502   4.4156   0.9490   4.0150   1.9128  408.857   45.149  364.932   99.302 43.92529 109.0839 
1 1 1   29   11   24 o  329.852   52.705   3.3080   0.7547   3.5028   0.8499   2.5812   1.6418  363.580   45.466  296.123   95.101 67.45673 105.4106 
1 1 1   29   11   26 o  304.631   57.809   2.5090   0.8940   1.9298   1.0950   3.6675   1.5485  258.598   76.783  350.664   86.440 -92.06558 115.6182 
1 1 1   29   11   28 o  264.278   46.233   1.5675   0.5258   1.2456   0.5838   2.9519   1.2106  210.854   53.705  317.701   75.272 -106.8470 92.46685 
1 1 1   29   11   30 o  695.089   40.238   12.569   1.1357   12.184   1.2594   14.245   2.6273  680.080   36.019  710.097   71.965 -30.01715 80.47615 
1 1 1   29   11   32 o  325.336   46.921   2.4581   0.6494   1.9741   0.7260   4.3979   1.4534  264.542   55.163  386.129   75.916 -121.5871 93.84140 
1 1 1   29   11   34 o  212.496   43.621   1.2521   0.4606   1.2521   0.4606   0.0000   0.0000  212.496   43.621  ?   ?       ?      ? 
1 1 1   29   11   36 o  171.590   41.451   0.7764   0.4038   0.7899   0.4655   0.7356   0.8112  168.065   50.104  175.115   66.048 -7.049805 82.90229 
1 1 1   29   11   38 o  238.821   43.940   1.8916   0.5776   2.3085   0.6747   0.7475   1.1177  290.783   45.129  186.860   75.407 103.9227 87.88020 
1 1 1   29   11   40 o  502.028   41.224   6.2376   0.8462   5.6307   0.9302   9.1491   2.0374  455.584   39.713  548.472   72.253 -92.88828 82.44822 
1 1 1   29   11   42 o  289.712   43.616   2.2249   0.5192   2.0241   0.5744   3.1225   1.2143  271.353   41.173  308.071   76.904 -36.71790 87.23235 
1 1 1   29   12    1 o  576.656   35.373   8.8382   1.0314   7.6882   1.5356   9.7836   1.3923  540.809   55.228  612.503   44.213 -71.69397 70.74530 
1 1 1   29   12    3 o  472.487   35.499   5.8204   0.8552   6.0510   1.3058   5.6472   1.1317  480.163   52.895  464.810   47.358 15.35239 70.99802 
1 1 1   29   12    5 o  463.602   47.504   5.3240   1.0626   7.9919   1.8114   3.9242   1.3121  548.972   64.179  378.231   70.053 170.7411 95.00711 
1 1 1   29   12    7 o  1035.99   44.459   27.488   2.3235   33.862   3.7544   23.531   2.9581  1129.10   64.675  942.892   61.020 186.2061 88.91736 
1 1 1   29   12    9 o  322.728   46.645   2.5867   0.7524   4.2515   1.2515   1.6445   0.9415  400.565   60.769  244.892   70.783 155.6729 93.29053 
1 1 1   29   12   11 o  422.938   47.885   4.6912   1.0412   0.0000   0.0000   4.6912   1.0412  ?   ?   422.938   47.885      ?      ? 
1 1 1   29   12   13 o  450.427   61.117   5.7246   1.3608   5.6077   1.8552   5.8608   2.0023  446.435   83.907  454.419   88.887 -7.983917 122.2350 
1 1 1   29   12   15 o  160.471   62.240   0.4622   0.7340   0.4622   0.7340   0.0000   0.0000  160.471   62.240  ?   ?       ?      ? 
1 1 1   29   12   17 o  236.267   45.924   1.3107   0.5348   0.9612   0.6260   2.2547   1.0288  189.465   58.443  283.068   70.856 -93.60249 91.84812 
1 1 1   29   12   19 o  217.013   51.034   1.1926   0.5588   1.2066   0.6129   1.1234   1.3610  209.075   55.924  224.952   85.383 -15.87624 102.0676 
1 1 1   29   12   21 o  326.171   53.149   3.3362   0.7482   3.6012   0.8339   2.2425   1.6943  369.590   43.888  282.751   96.815 86.83902 106.2976 
1 1 1   29   12   23 o  384.715   47.657   3.6128   0.6452   3.4189   0.6919   4.9064   1.7869  361.046   37.274  408.385   87.724 -47.33871 95.31434 
1 1 1   29   12   25 o  742.209   42.087   14.188   1.2047   13.798   1.3170   16.190   2.9816  725.435   35.311  758.984   76.410 -33.54889 84.17487 
1 1 1   29   12   27 o  203.109   44.105   0.6061   0.4396   0.2545   0.4837   2.2748   1.0537  126.425   50.078  279.792   72.616 -153.3671 88.20903 
1 1 1   29   12   29 o  175.245   43.483   0.7373   0.4100   0.7314   0.4537   0.7635   0.9580  163.917   49.598  186.572   71.436 -22.65479 86.96581 
1 1 1   29   12   31 o  176.400   39.970   0.8881   0.3993   1.0353   0.4533   0.3779   0.8437  192.845   46.304  159.955   65.164 32.88942 79.94007 
1 1 1   29   12   33 o  169.007   43.931   0.7943   0.3852   0.7943   0.3852   0.0000   0.0000  169.007   43.931  ?   ?       ?      ? 
1 1 1   29   12   35 o  281.206   45.655   2.4682   0.5311   2.5870   0.5851   1.9119   1.2662  311.961   36.481  250.451   83.705 61.50911 91.30949 
1 1 1   29   12   37 o  395.366   49.998   4.8455   0.8567   5.0918   1.0055   4.1929   1.6366  432.334   45.238  358.398   89.179 73.93536 99.99662 
1 1 1   29   12   39 o  311.756   46.504   2.9982   0.5960   3.0696   0.6662   2.7120   1.3341  337.333   38.414  286.178   84.705 51.15485 93.00851 
1 1 1   29   12   41 o  211.723   41.099   1.4509   0.4298   1.5875   0.4722   0.7901   1.0385  241.833   37.976  181.614   72.899 60.21886 82.19736 
1 1 1   29   12   43 o  226.513   41.919   0.9865   0.3762   0.7113   0.4033   2.8302   1.0437  156.785   46.608  296.242   69.690 -139.4571 83.83887 
1 1 1   29   13    0 f  1043.00   58.834   28.599   3.1319   0.0000   0.0000   28.599   3.1319  1043.00   58.834  1043.00   58.834 -0.000000 0.000000 
1 1 1   29   13    2 o  566.992   72.341   8.6001   2.1088   8.6001   2.1088   0.0000   0.0000  566.992   72.341  ?   ?       ?      ? 
1 1 1   29   13    4 o  524.032   74.959   7.3729   2.0195   7.3729   2.0195   0.0000   0.0000  524.032   74.959  ?   ?       ?      ? 
1 1 1   29   13    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13   12 o  485.411   66.993   6.3150   1.6719   6.3150   1.6719   0.0000   0.0000  485.411   66.993  ?   ?       ?      ? 
1 1 1   29   13   14 f  640.659   37.906   10.705   1.2485   10.705   1.2485   0.0000   0.0000  640.659   37.906  ?   ?       ?      ? 
1 1 1   29   13   16 o  673.080   46.493   12.126   1.3423   12.068   1.5267   12.324   2.8176  678.046   43.796  668.115   82.027 9.931152 92.98600 
1 1 1   29   13   18 o  421.892   49.081   4.6852   0.9062   4.4550   1.0447   5.3846   1.8211  410.314   49.523  433.470   84.754 -23.15677 98.16168 
1 1 1   29   13   20 o  497.034   42.267   5.5331   0.8024   5.0519   0.8649   8.5060   2.1500  439.109   38.312  554.960   75.353 -115.8506 84.53358 
1 1 1   29   13   22 f  818.268   42.140   16.593   1.3154   15.892   1.4291   20.479   3.3657  779.180   35.675  857.357   76.356 -78.17615 84.27932 
1 1 1   29   13   24 o  173.209   43.406   0.7446   0.3475   0.8033   0.3609   0.0000   1.2853  171.163   41.457  175.256   76.274 -4.093246 86.81227 
1 1 1   29   13   26 o  149.826   43.029   0.3690   0.4328   0.4431   0.4743   0.0000   1.0584  139.813   50.904  159.838   69.388 -20.02487 86.05753 
1 1 1   29   13   28 o  418.842   56.009   6.4427   0.9826   7.6716   1.1342   2.7432   1.9678  538.047   41.000  299.637  104.245 238.4099 112.0184 
1 1 1   29   13   30 o  444.492   49.080   5.6598   0.9027   5.6996   1.0312   5.5290   1.8675  462.292   43.388  426.692   88.051 35.60031 98.16051 
1 1 1   29   13   32 o  122.796   40.208   0.3892   0.2927   0.3892   0.2927   0.0000   0.0000  122.796   40.208  ?   ?       ?      ? 
1 1 1   29   13   34 o  251.086   41.799   1.5419   0.4366   1.3627   0.4822   2.3562   1.0279  221.587   43.883  280.585   71.153 -58.99785 83.59699 
1 1 1   29   13   36 o  224.171   33.581   0.8557   0.3444   0.4222   0.3813   2.7725   0.8018  130.490   45.861  317.852   49.067 -187.3618 67.16260 
1 1 1   29   13   38 f  212.365   45.734   1.0737   0.4562   0.8596   0.5075   1.9748   1.0411  173.641   52.438  251.089   74.945 -77.44818 91.46841 
1 1 1   29   13   40 o  523.035   43.433   7.9470   0.9171   7.9261   1.0268   8.0295   2.0391  541.846   36.859  504.224   78.658 37.62161 86.86567 
1 1 1   29   13   42 o  339.292   37.662   2.3387   0.5338   1.6289   0.5870   5.7307   1.2831  235.820   49.968  442.764   56.365 -206.9438 75.32485 
1 1 1   29   14    1 o  333.598   41.393   2.9005   0.7099   2.9005   0.7099   0.0000   0.0000  333.598   41.393  ?   ?       ?      ? 
1 1 1   29   14    3 o  166.467   39.228   0.7434   0.3606   0.8768   0.3917   0.0000   0.9246  179.798   42.958  153.136   65.651 26.66113 78.45658 
1 1 1   29   14    5 o  351.084   52.476   3.2709   0.8667   2.9900   1.0443   3.8926   1.5536  330.339   63.799  371.830   83.333 -41.49084 104.9515 
1 1 1   29   14    7 o  396.293   58.252   4.1560   1.1868   4.1560   1.1868   0.0000   0.0000  396.293   58.252  ?   ?       ?      ? 
1 1 1   29   14    9 o  565.271   44.972   8.3649   1.3070   8.3649   1.3070   0.0000   0.0000  565.271   44.972  ?   ?       ?      ? 
1 1 1   29   14   11 o  285.289   46.594   2.1358   0.6834   2.1358   0.6834   0.0000   0.0000  285.289   46.594  ?   ?       ?      ? 
1 1 1   29   14   13 f  328.128   49.817   3.0918   0.6404   3.1709   0.7025   2.7034   1.5568  348.480   39.212  307.777   91.593 40.70294 99.63406 
1 1 1   29   14   15 f  697.649   48.288   13.743   1.2703   14.069   1.3990   12.217   3.0310  734.253   37.061  661.045   89.183 73.20801 96.57661 
1 1 1   29   14   17 o  238.971   48.333   1.5444   0.5611   1.5305   0.6408   1.5901   1.1613  235.476   54.071  242.466   80.128 -6.989563 96.66570 
1 1 1   29   14   19 o  491.333   45.842   6.2547   0.9960   5.9847   1.1381   7.1382   2.0586  475.860   46.520  506.807   79.005 -30.94693 91.68383 
1 1 1   29   14   21 o  463.804   44.882   5.2476   0.7765   4.9927   0.8382   6.7891   2.0613  436.403   37.359  491.204   81.621 -54.80182 89.76477 
1 1 1   29   14   23 o  401.950   42.221   3.4374   0.6407   3.0579   0.6867   5.9888   1.7806  340.870   39.186  463.030   74.799 -122.1598 84.44235 
1 1 1   29   14   25 o  395.752   47.275   3.6108   0.6633   3.3165   0.7096   5.6465   1.8664  354.705   38.910  436.798   86.173 -82.09320 94.55058 
1 1 1   29   14   27 o  567.346   41.850   7.3554   1.0596   6.0907   1.1935   12.065   2.3031  476.642   48.702  658.052   68.073 -181.4100 83.70100 
1 1 1   29   14   29 o  259.220   52.758   2.0246   0.7259   2.2044   0.8724   1.6200   1.3085  277.587   62.619  240.852   84.927 36.73514 105.5165 
1 1 1   29   14   31 o  113.054   40.829   0.2903   0.3042   0.2903   0.3042   0.0000   0.0000  113.054   40.829  ?   ?       ?      ? 
1 1 1   29   14   33 o  267.758   45.953   2.2471   0.5164   2.3671   0.5634   1.6177   1.2909  298.676   36.693  236.840   84.264 61.83641 91.90602 
1 1 1   29   14   35 o  456.820   42.633   5.5329   0.7829   5.3177   0.8654   6.5029   1.8374  446.310   37.715  467.330   76.472 -21.01907 85.26628 
1 1 1   29   14   37 o  227.885   45.366   1.3587   0.4939   1.1399   0.5666   2.0509   1.0077  198.344   54.078  257.426   72.856 -59.08211 90.73274 
1 1 1   29   14   39 o  252.898   45.381   2.1092   0.6090   2.4853   0.7274   1.2274   1.1136  299.339   47.262  206.458   77.486 92.88100 90.76235 
1 1 1   29   14   41 o  340.938   49.600   3.8008   0.6746   3.9126   0.7501   3.3276   1.5432  378.760   38.518  303.116   91.417 75.64304 99.20029 
1 1 1   29   15    0 o  145.309   84.088   0.7054   1.0211   0.7054   1.0211   0.0000   0.0000  145.309   84.088  145.309   84.088 0.000000 0.000000 
1 1 1   29   15    2 o  131.270   35.512   0.3454   0.2350   0.3785   0.2460   0.0000   0.7942  120.341   36.545  142.200   60.901 -21.85886 71.02441 
1 1 1   29   15    4 o  296.015   49.274   2.6378   0.5911   2.7896   0.6439   1.8234   1.4911  327.346   38.257  264.683   90.819 62.66345 98.54762 
1 1 1   29   15    6 o  337.520   49.424   3.0271   0.7178   2.9571   0.8140   3.2720   1.5218  335.845   47.142  339.194   86.882 -3.349182 98.84747 
1 1 1   29   15    8 o  551.393   75.867   8.2338   2.1507   8.2338   2.1507   0.0000   0.0000  551.393   75.867  ?   ?       ?      ? 
1 1 1   29   15   10 o  242.636   44.241   0.9829   0.4575   0.6160   0.4971   3.0112   1.1688  156.817   52.448  328.454   71.261 -171.6376 88.48160 
1 1 1   29   15   12 o  556.811   43.866   7.1915   1.0650   6.3446   1.1927   10.524   2.3660  491.157   47.231  622.465   73.933 -131.3080 87.73187 
1 1 1   29   15   14 o  704.006   42.604   12.304   1.2098   11.753   1.3333   14.871   2.8785  670.628   38.670  737.383   75.928 -66.75574 85.20816 
1 1 1   29   15   16 o  235.460   45.975   1.4097   0.4399   1.3761   0.4725   1.6278   1.2048  225.512   42.305  245.409   81.640 -19.89740 91.94976 
1 1 1   29   15   18 o  340.424   54.457   3.9767   0.8711   4.6724   0.9918   1.6281   1.8223  420.648   45.860  260.200   98.788 160.4480 108.9139 
1 1 1   29   15   20 o  254.951   46.230   2.2149   0.5408   2.4858   0.5799   0.4089   1.4971  308.073   36.615  201.830   84.902 106.2426 92.46083 
1 1 1   29   15   22 o  438.742   40.251   3.9519   0.6711   3.4511   0.7189   7.3450   1.8712  362.292   38.596  515.192   70.647 -152.9007 80.50214 
1 1 1   29   15   24 o  253.579   45.791   2.3046   0.5283   2.5815   0.5592   0.0000   1.6131  313.784   34.663  193.375   84.768 120.4092 91.58146 
1 1 1   29   15   26 o  305.242   52.271   2.6974   0.5678   2.7209   0.6008   2.5012   1.7367  321.570   36.341  288.914   98.023 32.65631 104.5428 
1 1 1   29   15   28 o  364.882   60.618   3.9813   1.0740   3.8929   1.3199   4.1546   1.8477  366.115   72.685  363.650   97.030 2.465179 121.2351 
1 1 1   29   15   30 o  281.107   38.760   2.0952   0.5602   2.0952   0.5602   0.0000   0.0000  281.107   38.760  ?   ?       ?      ? 
1 1 1   29   15   32 o  383.518   52.868   4.9442   0.7433   5.2594   0.8147   3.3799   1.8150  445.821   35.545  321.215   99.582 124.6054 105.7357 
1 1 1   29   15   34 o  272.971   47.126   2.1784   0.5264   2.1944   0.5730   2.0917   1.3330  286.542   38.895  259.400   85.852 27.14206 94.25134 
1 1 1   29   15   36 f  231.858   42.273   1.1170   0.3951   0.8777   0.4274   2.5239   1.0364  176.010   46.525  287.706   70.594 -111.6955 84.54622 
1 1 1   29   15   38 o  237.938   52.555   1.7948   0.7377   2.2110   0.9897   1.2742   1.1067  266.343   70.985  209.533   77.518 56.80963 105.1097 
1 1 1   29   15   40 o  201.945   39.421   1.3598   0.4240   1.5662   0.4684   0.4238   0.9974  240.140   37.937  163.750   69.114 76.39061 78.84122 
1 1 1   29   15   42 o  254.156   52.794   1.9220   0.6673   1.9220   0.6673   0.0000   0.0000  254.156   52.794  ?   ?       ?      ? 
1 1 1   29   16    1 o  919.212   54.756   22.883   2.5837   21.263   3.6193   24.566   3.6894  884.737   79.568  953.687   75.246 -68.95007 109.5124 
1 1 1   29   16    3 o  400.806   39.899   2.5968   0.6151   1.8063   0.6597   7.8612   1.7024  257.667   51.597  543.945   60.873 -286.2786 79.79852 
1 1 1   29   16    5 o  337.600   47.904   2.9852   0.7103   2.8637   0.8143   3.3721   1.4528  330.266   47.956  344.934   82.942 -14.66846 95.80785 
1 1 1   29   16    7 o  313.393   42.147   2.0009   0.5990   1.2798   0.6804   4.4854   1.2629  216.049   59.404  410.738   59.805 -194.6895 84.29453 
1 1 1   29   16    9 o  218.958   74.029   1.2359   0.9905   1.2359   0.9905   0.0000   0.0000  218.958   74.029  ?   ?       ?      ? 
1 1 1   29   16   11 o  703.785   50.873   14.321   1.4843   15.095   1.6959   11.786   3.0685  758.766   43.474  648.804   91.989 109.9630 101.7451 
1 1 1   29   16   13 o  181.301   42.127   0.8681   0.3814   0.9415   0.4106   0.4062   1.0304  185.771   43.716  176.832   72.025 8.939590 84.25397 
1 1 1   29   16   15 o  209.079   40.965   1.3694   0.4733   1.6759   0.5236   0.0000   1.1067  252.879   40.270  165.279   71.351 87.60031 81.93080 
1 1 1   29   16   17 o  236.933   45.404   1.2450   0.4184   1.1212   0.4477   2.0988   1.1760  202.544   44.232  271.322   79.307 -68.77795 90.80748 
1 1 1   29   16   19 o  177.430   41.462   0.8765   0.4362   1.0857   0.4855   0.0000   0.9937  198.484   48.086  156.375   67.559 42.10840 82.92480 
1 1 1   29   16   21 o  305.200   51.710   1.9135   0.5228   1.7309   0.5476   3.7954   1.7578  256.134   41.587  354.266   94.690 -98.13284 103.4195 
1 1 1   29   16   23 o  353.494   53.322   3.6631   0.7966   3.7415   0.8974   3.3720   1.7301  374.878   46.562  332.111   95.942 42.76663 106.6436 
1 1 1   29   16   25 o  547.103   44.578   7.2457   0.8970   6.8468   0.9647   9.7957   2.4391  510.024   36.788  584.182   81.211 -74.15829 89.15509 
1 1 1   29   16   27 o  202.355   46.034   0.6264   0.3870   0.4360   0.4104   2.1543   1.1625  134.767   47.555  269.943   78.836 -135.1760 92.06832 
1 1 1   29   16   29 o  387.200   45.813   4.0203   0.9120   4.0203   0.9120   0.0000   0.0000  387.200   45.813  ?   ?       ?      ? 
1 1 1   29   16   31 o  248.450   46.919   1.5464   0.4514   1.4588   0.4824   2.1624   1.2794  230.355   42.291  266.544   83.769 -36.18896 93.83894 
1 1 1   29   16   33 o  645.948   43.668   11.321   1.0926   11.088   1.2002   12.449   2.6400  646.100   36.132  645.795   79.512 0.3050537 87.33681 
1 1 1   29   16   35 o  313.440   44.776   2.5132   0.5381   2.3387   0.5855   3.4616   1.3651  295.358   38.560  331.522   80.824 -36.16473 89.55129 
1 1 1   29   16   37 o  141.431   35.752   0.5274   0.2966   0.6189   0.3213   0.0000   0.7714  148.687   40.797  134.176   58.724 14.51059 71.50482 
1 1 1   29   16   39 o  335.449   42.626   2.6283   0.6458   1.8340   0.7363   5.2775   1.3448  247.247   58.786  423.652   61.741 -176.4054 85.25102 
1 1 1   29   16   41 o  171.257   48.567   0.8582   0.4473   0.8582   0.4473   0.0000   0.0000  171.257   48.567  ?   ?       ?      ? 
1 1 1   29   17    0 o  797.760   81.145   17.347   3.2492   0.0000   0.0000   17.347   3.2492  797.760   81.145  797.760   81.145 -0.000000 0.000000 
1 1 1   29   17    2 o  367.956   63.510   3.8543   1.1858   3.5898   1.5899   4.1860   1.7802  354.362   87.732  381.550   91.855 -27.18814 127.0206 
1 1 1   29   17    4 o  506.900   40.211   5.5541   0.8583   4.7683   0.9451   9.2492   2.0495  426.886   43.063  586.914   67.921 -160.0285 80.42183 
1 1 1   29   17    6 o  105.584   31.930   0.0774   0.2155   0.0880   0.2297   0.0000   0.6211   85.233   34.260  125.935   53.893 -40.70176 63.86061 
1 1 1   29   17    8 o  132.442   45.926   0.4175   0.3818   0.4175   0.3818   0.0000   0.0000  132.442   45.926  ?   ?       ?      ? 
1 1 1   29   17   10 o  498.785   50.713   6.6557   1.0360   6.5252   1.1685   7.1351   2.2399  498.261   45.613  499.309   90.592 -1.048065 101.4268 
1 1 1   29   17   12 o  216.591   48.361   1.2028   0.5105   1.1970   0.5638   1.2290   1.2028  208.553   52.595  224.629   81.173 -16.07568 96.72276 
1 1 1   29   17   14 o  271.220   45.734   1.5741   0.4880   1.3368   0.5282   2.9563   1.2748  220.942   47.882  321.497   77.934 -100.5551 91.46801 
1 1 1   29   17   16 o  455.998   53.339   5.9695   0.8635   6.0434   0.9415   5.5786   2.1663  480.329   38.126  431.666   99.631 48.66293 106.6773 
1 1 1   29   17   18 o  723.032   45.860   13.749   1.4221   13.357   1.6089   15.147   3.0405  711.214   44.001  734.850   80.477 -23.63617 91.72027 
1 1 1   29   17   20 o  367.267   51.130   4.0237   0.6711   4.1227   0.7272   3.4557   1.7418  396.657   35.661  337.878   95.841 58.77863 102.2607 
1 1 1   29   17   22 o  234.255   48.610   1.3306   0.4281   1.2881   0.4498   1.7403   1.3965  217.376   41.763  251.133   87.792 -33.75653 97.21951 
1 1 1   29   17   24 f  435.595   41.641   4.1215   0.6866   3.6895   0.7369   6.9628   1.8899  374.056   38.319  497.133   73.944 -123.0774 83.28278 
1 1 1   29   17   26 o  226.384   46.523   1.4161   0.5234   1.4161   0.5234   0.0000   0.0000  226.384   46.523  ?   ?       ?      ? 
1 1 1   29   17   28 o  567.664   47.696   8.4812   1.1408   8.0677   1.2780   10.103   2.5312  548.919   45.284  586.409   83.957 -37.49060 95.39104 
1 1 1   29   17   30 o  372.539   48.645   3.9941   0.6708   3.9951   0.7340   3.9889   1.6522  388.424   36.755  356.655   90.080 31.76929 97.28961 
1 1 1   29   17   32 o  229.936   47.284   1.0132   0.4568   0.7424   0.4925   2.6815   1.2225  164.529   52.009  295.343   78.981 -130.8131 94.56700 
1 1 1   29   17   34 o  223.863   40.978   1.7219   0.4476   1.9553   0.4868   0.4439   1.1391  271.197   34.914  176.528   74.148 94.66931 81.95657 
1 1 1   29   17   36 o  249.218   45.446   1.8134   0.4856   1.8179   0.5304   1.7902   1.2075  259.476   39.760  238.961   81.734 20.51538 90.89153 
1 1 1   29   17   38 o  122.984   36.197   0.1134   0.3353   0.0000   0.3877   0.4505   0.6683   97.636   42.189  148.333   58.831 -50.69712 72.39456 
1 1 1   29   17   40 f  137.012   48.493   0.4909   0.4270   0.4909   0.4270   0.0000   0.0000  137.012   48.493  ?   ?       ?      ? 
1 1 1   29   18    1 o  665.285   57.232   12.127   1.9446   10.456   2.7116   13.897   2.7902  615.599   85.675  714.971   75.907 -99.37170 114.4644 
1 1 1   29   18    3 o  861.647   55.811   20.202   2.4624   17.857   3.3791   22.858   3.5958  806.882   81.455  916.412   76.320 -109.5300 111.6226 
1 1 1   29   18    5 o  198.628   44.375   1.1115   0.4918   1.3066   0.5548   0.3959   1.0627  218.407   50.432  178.848   73.030 39.55870 88.75100 
1 1 1   29   18    7 f  302.942   46.447   2.1199   0.6143   1.7229   0.6941   3.5555   1.3197  250.204   55.417  355.680   74.554 -105.4753 92.89383 
1 1 1   29   18    9 o  242.612   51.173   1.6119   0.6182   1.6119   0.6182   0.0000   0.0000  242.612   51.173  ?   ?       ?      ? 
1 1 1   29   18   11 f  277.030   46.528   1.6532   0.5631   1.2415   0.6294   3.3027   1.2599  212.109   56.647  341.951   73.827 -129.8418 93.05576 
1 1 1   29   18   13 o  200.597   47.430   1.0189   0.4809   1.0506   0.5248   0.8528   1.2009  195.462   51.498  205.732   79.664 -10.27036 94.86039 
1 1 1   29   18   15 o  237.792   45.760   1.6999   0.5066   1.8513   0.5511   0.8753   1.2861  265.520   40.374  210.064   82.134 55.45641 91.52040 
1 1 1   29   18   17 o  273.147   47.483   1.9484   0.5128   1.9044   0.5539   2.2125   1.3565  269.144   40.032  277.150   86.117 -8.006104 94.96640 
1 1 1   29   18   19 o  335.410   59.461   3.3478   1.0106   3.5054   1.2915   3.0988   1.6229  349.406   74.187  321.414   92.944 27.99133 118.9212 
1 1 1   29   18   21 o  235.660   48.257   1.5367   0.4799   1.5645   0.5120   1.3351   1.3783  239.732   43.125  231.588   86.344 8.143753 96.51482 
1 1 1   29   18   23 o  334.542   55.122   2.9949   0.7022   2.8989   0.7566   3.5919   1.8869  330.130   44.577  338.953  100.829 -8.823151 110.2434 
1 1 1   29   18   25 o  349.514   43.786   3.2525   0.7868   3.2525   0.7868   0.0000   0.0000  349.514   43.786  ?   ?       ?      ? 
1 1 1   29   18   27 o  422.409   40.660   3.7910   0.6566   3.3291   0.7050   6.8122   1.8030  354.588   38.669  490.229   71.537 -135.6410 81.31912 
1 1 1   29   18   29 o  202.724   46.569   1.1652   0.6283   1.7202   0.7634   0.0000   1.1063  244.375   60.964  161.074   70.415 83.30180 93.13891 
1 1 1   29   18   31 o  245.352   45.343   1.8164   0.4614   1.8830   0.4949   1.3733   1.2759  266.442   36.125  224.262   83.179 42.18071 90.68539 
1 1 1   29   18   33 o  268.889   37.516   1.2685   0.4084   0.8638   0.4411   3.6950   1.0801  174.952   47.719  362.827   57.902 -187.8758 75.03175 
1 1 1   29   18   35 o  211.944   44.516   1.0407   0.3824   0.9281   0.4086   1.8356   1.0855  181.187   44.243  242.701   77.262 -61.51410 89.03299 
1 1 1   29   18   37 o  155.294   38.826   0.6609   0.3275   0.7428   0.3472   0.0000   0.9864  162.115   41.488  148.473   65.639 13.64160 77.65183 
1 1 1   29   18   39 o  247.167   68.278   1.9354   0.8964   1.9354   0.8964   0.0000   0.0000  247.167   68.278  ?   ?       ?      ? 
1 1 1   29   19    0 o  385.418   99.909   4.6591   1.7109   0.0000   0.0000   4.6591   1.7109  385.418   99.909  385.418   99.909 -0.000000 0.000000 
1 1 1   29   19    2 o  419.750   59.661   4.9577   1.2660   3.0247   1.7269   7.2040   1.8615  323.446   96.515  516.053   70.162 -192.6074 119.3223 
1 1 1   29   19    4 o  384.649   61.332   4.2081   1.1902   3.2940   1.6186   5.2844   1.7563  337.166   91.180  432.131   82.053 -94.96530 122.6646 
1 1 1   29   19    6 o  311.385   46.971   2.1596   0.6465   1.6183   0.7327   4.0638   1.3742  241.600   59.401  381.171   72.778 -139.5713 93.94213 
1 1 1   29   19    8 f  774.177   54.766   16.339   2.1695   14.390   2.9376   18.678   3.2179  722.732   79.057  825.622   75.809 -102.8899 109.5310 
1 1 1   29   19   10 o  319.478   61.028   2.9030   1.0148   2.6033   1.3220   3.3330   1.5834  300.959   82.829  337.997   89.649 -37.03802 122.0557 
1 1 1   29   19   12 o  338.948   48.025   2.5161   0.6787   2.0133   0.7520   4.7272   1.5768  269.981   56.011  407.915   78.028 -137.9338 96.05012 
1 1 1   29   19   14 o  1038.14   44.270   27.035   1.8441   25.818   2.0301   32.776   4.4098  991.680   39.818  1084.60   79.082 -92.91980 88.54011 
1 1 1   29   19   16 o  251.045   47.659   1.8124   0.5063   1.8829   0.5439   1.3549   1.3857  267.666   39.523  234.424   86.739 33.24257 95.31864 
1 1 1   29   19   18 o  239.650   44.363   1.2560   0.4238   1.0863   0.4576   2.2797   1.1240  198.635   45.753  280.665   76.018 -82.03102 88.72503 
1 1 1   29   19   20 o  202.991   42.020   1.2659   0.4086   1.4113   0.4314   0.0000   1.2730  231.837   36.194  174.145   75.848 57.69238 84.04069 
1 1 1   29   19   22 o  195.215   48.449   0.5817   0.3763   0.4679   0.3930   1.8344   1.3039  136.894   46.629  253.537   84.942 -116.6424 96.89877 
1 1 1   29   19   24 o  127.740   43.131   0.4092   0.3362   0.4092   0.3362   0.0000   0.0000  127.740   43.131  ?   ?       ?      ? 
1 1 1   29   19   26 o  221.664   47.755   0.6767   0.3577   0.5194   0.3709   2.7816   1.3568  140.529   45.206  302.799   84.135 -162.2702 95.51005 
1 1 1   29   19   28 o  410.006   49.099   4.1883   0.8318   3.7341   0.9255   6.0965   1.8968  371.794   48.417  448.218   85.431 -76.42395 98.19711 
1 1 1   29   19   30 o  445.108   42.167   4.6671   0.7335   4.2487   0.7959   7.0265   1.8900  399.408   38.757  490.808   74.901 -91.40057 84.33390 
1 1 1   29   19   32 o  262.377   42.990   2.6897   0.5741   3.2129   0.6274   0.0000   1.4227  347.823   35.086  176.931   78.494 170.8923 85.97909 
1 1 1   29   19   34 o  153.304   38.307   0.6316   0.3239   0.7183   0.3454   0.0000   0.9326  160.067   41.594  146.540   64.340 13.52765 76.61386 
1 1 1   29   19   36 o  499.969   45.756   6.8904   0.8854   6.6516   0.9712   8.0655   2.1542  496.485   38.049  503.453   83.226 -6.967957 91.51161 
1 1 1   29   19   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   19   40 o  111.921   33.729   0.1667   0.2326   0.1850   0.2450   0.0000   0.7405   94.944   36.182  128.898   56.934 -33.95343 67.45814 
1 1 1   29   20    1 o  595.035   57.009   9.7673   1.7427   10.209   2.4718   9.3307   2.4575  609.262   78.911  580.808   82.298 28.45313 114.0174 
1 1 1   29   20    3 o  269.783   59.805   1.8923   0.9477   1.1509   1.2487   2.8993   1.4554  222.487   82.336  317.079   86.761 -94.59177 119.6107 
1 1 1   29   20    5 o  608.415   47.583   8.4344   1.3645   6.0188   1.5948   15.033   2.6360  472.241   65.688  744.589   68.860 -272.3477 95.16589 
1 1 1   29   20    7 o  347.594   43.706   2.6459   0.6855   1.9407   0.7813   5.0046   1.4289  264.511   58.958  430.677   64.534 -166.1657 87.41135 
1 1 1   29   20    9 o  525.725   46.209   7.2927   1.2490   7.2927   1.2490   0.0000   0.0000  525.725   46.209  ?   ?       ?      ? 
1 1 1   29   20   11 o  150.256   42.040   0.3647   0.3539   0.3546   0.3792   0.4330   0.9853  126.095   45.578  174.418   70.656 -48.32291 84.08092 
1 1 1   29   20   13 o  553.149   42.877   6.9266   1.0488   5.8257   1.1770   11.170   2.3108  468.453   48.871  637.845   70.466 -169.3921 85.75470 
1 1 1   29   20   15 o  274.040   43.660   1.3318   0.4615   0.9784   0.4951   3.6742   1.2746  188.348   50.216  359.732   71.437 -171.3842 87.32059 
1 1 1   29   20   17 o  482.947   42.695   5.6618   0.8025   5.3306   0.8737   7.4498   2.0300  450.443   37.728  515.451   76.603 -65.00821 85.38950 
1 1 1   29   20   19 o  553.143   90.435   8.9243   2.5718   0.0000   0.0000   8.9243   2.5718  ?   ?   553.143   90.435      ?      ? 
1 1 1   29   20   21 o  281.201   42.057   2.0956   0.6080   2.0956   0.6080   0.0000   0.0000  281.201   42.057  ?   ?       ?      ? 
1 1 1   29   20   23 o  316.826   36.694   2.6448   0.5977   2.6448   0.5977   0.0000   0.0000  316.826   36.694  ?   ?       ?      ? 
1 1 1   29   20   25 o  484.755   41.368   5.7835   0.7829   5.4473   0.8535   7.5676   1.9661  454.355   36.536  515.156   74.232 -60.80005 82.73615 
1 1 1   29   20   27 o  283.199   48.677   2.4669   0.5391   2.5513   0.5788   1.9137   1.4821  310.677   36.235  255.721   90.360 54.95625 97.35464 
1 1 1   29   20   29 o  132.795   41.186   0.0000   0.4655   0.0000   0.5316   0.0000   0.9642  114.734   49.491  150.855   65.848 -36.12116 82.37280 
1 1 1   29   20   31 o  192.651   43.564   0.6077   0.3263   0.4673   0.3431   1.9346   1.0547  133.191   43.531  252.111   75.473 -118.9199 87.12727 
1 1 1   29   20   33 o  247.547   46.046   1.4665   0.4343   1.3297   0.4637   2.4418   1.2383  218.272   42.855  276.823   81.514 -58.55113 92.09248 
1 1 1   29   20   35 o  233.451   46.348   1.4263   0.4308   1.3499   0.4599   1.9732   1.2298  219.508   42.285  247.393   82.489 -27.88487 92.69554 
1 1 1   29   20   37 o  415.454   46.280   4.8012   0.9885   4.8012   0.9885   0.0000   0.0000  415.454   46.280  ?   ?       ?      ? 
1 1 1   29   20   39 o  199.696   50.866   1.1770   0.6380   1.0231   0.7808   1.4861   1.1063  185.238   65.574  214.154   77.779 -28.91547 101.7322 
1 1 1   29   21    0 o  281.165  105.318   2.8535   1.4207   2.8535   1.4207   0.0000   0.0000  281.165  105.318  281.165  105.318 0.000000 0.000000 
1 1 1   29   21    2 o  251.396   56.076   1.6900   0.8662   0.7948   1.2483   2.5211   1.2028  205.638   80.769  297.155   77.810 -91.51662 112.1522 
1 1 1   29   21    4 o  222.079   56.529   1.0943   0.7966   0.7700   0.9837   1.7121   1.3579  191.316   72.595  252.842   86.672 -61.52571 113.0581 
1 1 1   29   21    6 o  511.119   47.157   6.3855   1.1402   5.4198   1.3341   9.0012   2.1957  449.966   57.669  572.271   74.629 -122.3050 94.31494 
1 1 1   29   21    8 o  188.938   43.409   0.5867   0.3967   0.3603   0.4348   1.7128   0.9696  130.943   48.558  246.933   71.968 -115.9908 86.81732 
1 1 1   29   21   10 o  213.633   52.207   0.7795   0.7393   0.0000   0.9217   2.1857   1.2380  151.177   65.189  276.090   81.563 -124.9132 104.4130 
1 1 1   29   21   12 o  502.461   44.914   6.0362   0.9868   5.3786   1.1084   8.5510   2.1674  450.228   47.883  554.694   76.001 -104.4662 89.82729 
1 1 1   29   21   14 f  181.824   44.924   0.8286   0.4322   0.8910   0.4677   0.4637   1.1314  180.013   49.150  183.636   75.211 -3.623001 89.84705 
1 1 1   29   21   16 o  211.726   47.159   1.0480   0.4112   1.0022   0.4356   1.4235   1.2474  190.753   45.120  232.698   82.825 -41.94550 94.31800 
1 1 1   29   21   18 f  249.581   46.737   1.4536   0.4920   1.2621   0.5395   2.3985   1.1985  213.139   50.082  286.023   78.925 -72.88397 93.47408 
1 1 1   29   21   20 o  528.954   71.723   7.8427   1.9505   7.8427   1.9505   0.0000   0.0000  528.954   71.723  ?   ?       ?      ? 
1 1 1   29   21   22 o  500.809   44.052   6.0892   0.8136   5.7538   0.8754   8.2143   2.2034  467.375   36.432  534.242   80.219 -66.86783 88.10468 
1 1 1   29   21   24 o  427.492   49.631   5.1056   0.7394   5.0619   0.8001   5.3615   1.9345  438.304   35.508  416.681   92.693 21.62305 99.26104 
1 1 1   29   21   26 o  300.777   42.526   1.8447   0.4733   1.5438   0.5067   3.9040   1.3257  237.093   43.162  364.461   73.288 -127.3682 85.05290 
1 1 1   29   21   28 o  150.600   41.015   0.4289   0.2841   0.4234   0.2958   0.4937   1.0197  126.687   40.333  174.513   71.429 -47.82586 82.02966 
1 1 1   29   21   30 o  182.454   44.597   0.7588   0.3425   0.7360   0.3583   1.0001   1.1653  162.452   42.437  202.456   78.452 -40.00388 89.19449 
1 1 1   29   21   32 o  228.430   46.187   1.4773   0.4434   1.4742   0.4744   1.4982   1.2473  230.697   41.522  226.163   82.516 4.534927 92.37382 
1 1 1   29   21   34 o  252.473   46.781   1.5852   0.4552   1.4483   0.4873   2.5221   1.2749  227.264   43.287  277.682   82.945 -50.41843 93.56105 
1 1 1   29   21   36 o  270.009   49.243   2.0909   0.6584   2.0909   0.6584   0.0000   0.0000  270.009   49.243  ?   ?       ?      ? 
1 1 1   29   21   38 f  160.596   60.001   0.6791   0.6663   0.6791   0.6663   0.0000   0.0000  160.596   60.001  ?   ?       ?      ? 
1 1 1   29   22    1 o  540.434   64.081   8.6034   1.6737   11.127   2.3396   5.9588   2.3952  637.684   71.363  443.184  106.456 194.4993 128.1622 
1 1 1   29   22    3 o  942.848   57.410   24.651   2.7650   21.127   3.7852   28.683   4.0485  867.553   84.864  1018.14   77.343 -150.5903 114.8208 
1 1 1   29   22    5 o  532.078   63.002   8.2582   1.6438   9.7561   2.2664   6.5957   2.3877  595.187   74.064  468.969  101.940 126.2178 126.0044 
1 1 1   29   22    7 o  302.259   50.919   2.2483   0.7040   1.8311   0.8115   3.5182   1.4157  255.498   62.329  349.019   80.536 -93.52066 101.8378 
1 1 1   29   22    9 o  357.917   50.949   3.6181   0.7982   3.6502   0.9196   3.5200   1.6073  370.897   48.223  344.936   89.766 25.96167 101.8986 
1 1 1   29   22   11 o  253.830   50.813   1.5852   0.5660   1.4422   0.6225   2.2680   1.3599  227.782   53.979  279.879   86.105 -52.09700 101.6263 
1 1 1   29   22   13 o  321.137   50.350   2.5390   0.6737   2.2600   0.7479   3.7392   1.5512  286.527   52.710  355.746   85.803 -69.21945 100.7003 
1 1 1   29   22   15 o  484.215   56.061   6.6870   1.2569   6.6677   1.5226   6.7285   2.2266  495.368   59.786  473.061   94.853 22.30786 112.1226 
1 1 1   29   22   17 o  361.277   43.872   3.4638   0.8149   3.4638   0.8149   0.0000   0.0000  361.277   43.872  ?   ?       ?      ? 
1 1 1   29   22   19 o  129.812   44.722   0.4136   0.3617   0.4136   0.3617   0.0000   0.0000  129.812   44.722  ?   ?       ?      ? 
1 1 1   29   22   21 o  182.042   40.873   0.9164   0.3569   0.9790   0.3824   0.4943   0.9933  188.866   40.593  175.218   70.956 13.64796 81.74627 
1 1 1   29   22   23 o  220.238   43.869   1.0279   0.3698   0.9029   0.3931   1.9906   1.0908  180.669   42.954  259.808   76.505 -79.13916 87.73846 
1 1 1   29   22   25 o  440.750   41.200   4.3782   0.6971   3.9461   0.7516   7.0374   1.8645  385.917   37.880  495.583   73.176 -109.6667 82.39907 
1 1 1   29   22   27 o  154.127   40.716   0.5109   0.3303   0.5120   0.3538   0.5035   0.9211  138.656   44.107  169.598   68.452 -30.94247 81.43166 
1 1 1   29   22   29 o  243.819   49.581   1.4260   0.6822   0.6140   0.8349   3.0572   1.1833  169.675   66.223  317.964   73.807 -148.2896 99.16109 
1 1 1   29   22   31 o  202.603   46.123   1.0979   0.3991   1.1047   0.4194   1.0328   1.2989  198.830   42.323  206.376   81.964 -7.545929 92.24597 
1 1 1   29   22   33 o  347.309   47.035   2.9747   0.5969   2.7129   0.6421   4.6408   1.6197  316.974   39.399  377.644   85.422 -60.66992 94.06993 
1 1 1   29   22   35 o  513.019   45.785   7.2864   1.2076   7.2864   1.2076   0.0000   0.0000  513.019   45.785  ?   ?       ?      ? 
1 1 1   29   22   37 o  151.985   36.945   0.6670   0.3072   0.7547   0.3268   0.0000   0.9012  163.051   39.419  140.919   62.498 22.13211 73.89060 
1 1 1   29   23    0 o  308.712  111.327   3.4184   1.6191   0.0000   0.0000   3.4184   1.6191  308.712  111.327  308.712  111.327 -0.000000 0.000000 
1 1 1   29   23    2 o  683.092   57.822   13.051   2.0274   12.093   2.8080   14.094   2.9304  655.918   83.268  710.266   80.248 -54.34882 115.6433 
1 1 1   29   23    4 o  225.473   56.438   1.2144   0.8190   0.8086   1.0673   1.7955   1.2771  196.562   75.370  254.384   84.025 -57.82170 112.8752 
1 1 1   29   23    6 o  164.585   59.622   0.6272   0.6495   0.6272   0.6495   0.0000   0.0000  164.585   59.622  ?   ?       ?      ? 
1 1 1   29   23    8 o  420.457   51.134   4.7154   1.1053   4.7154   1.1053   0.0000   0.0000  420.457   51.134  ?   ?       ?      ? 
1 1 1   29   23   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   23   12 o  330.776   55.570   2.5166   0.8666   1.6320   1.0003   5.1782   1.7353  240.267   73.838  421.284   83.068 -181.0169 111.1408 
1 1 1   29   23   14 o  273.534   65.377   2.1313   0.9069   2.1313   0.9069   0.0000   0.0000  273.534   65.377  ?   ?       ?      ? 
1 1 1   29   23   16 o  162.614   44.463   0.7255   0.3824   0.7255   0.3824   0.0000   0.0000  162.614   44.463  ?   ?       ?      ? 
1 1 1   29   23   18 o  353.984   42.446   2.5894   0.5552   2.2291   0.5946   5.0388   1.5504  290.375   39.831  417.594   74.967 -127.2198 84.89199 
1 1 1   29   23   20 o  145.455   43.096   0.1960   0.5317   0.3057   0.6640   0.0000   0.8874  144.079   58.130  146.830   63.639 -2.751480 86.19186 
1 1 1   29   23   22 o  683.009   40.871   10.426   1.0576   9.4336   1.1370   16.787   2.8792  597.664   37.004  768.354   72.886 -170.6901 81.74127 
1 1 1   29   23   24 o  405.190   49.075   4.4371   0.6999   4.3229   0.7556   5.1264   1.8565  404.384   36.346  405.995   91.172 -1.610840 98.14968 
1 1 1   29   23   26 o  133.340   37.177   0.2685   0.2452   0.2419   0.2579   0.5185   0.7897  103.759   37.574  162.922   64.161 -59.16341 74.35346 
1 1 1   29   23   28 o  256.994   44.339   2.4011   0.5515   2.7658   0.6026   0.5194   1.3689  322.555   36.336  191.432   80.892 131.1222 88.67799 
1 1 1   29   23   30 o  228.672   46.829   0.7470   0.3822   0.5276   0.3992   3.1552   1.3227  141.229   46.993  316.115   81.015 -174.8854 93.65790 
1 1 1   29   23   32 o  377.208   52.190   4.0452   0.6939   3.9264   0.7465   4.7994   1.8811  382.068   38.004  372.348   97.216 9.720154 104.3807 
1 1 1   29   23   34 o  219.429   48.788   1.3879   0.5361   1.3879   0.5361   0.0000   0.0000  219.429   48.788  ?   ?       ?      ? 
1 1 1   29   23   36 o  278.546   46.783   2.9932   0.6170   3.3720   0.6752   1.0765   1.5189  352.215   37.285  204.876   85.816 147.3390 93.56589 
1 1 1   29   24    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   24    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   24    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   24    7 o  129.645   50.534   0.2925   0.4857   0.2925   0.4857   0.0000   0.0000  129.645   50.534  ?   ?       ?      ? 
1 1 1   29   24    9 o  157.970   42.785   0.4981   0.4385   0.5094   0.5047   0.4632   0.8857  147.309   52.656  168.630   67.451 -21.32098 85.57050 
1 1 1   29   24   11 o  263.716   65.021   1.9785   0.8760   1.9785   0.8760   0.0000   0.0000  263.716   65.021  ?   ?       ?      ? 
1 1 1   29   24   13 o  134.018   48.827   0.4030   0.4365   0.4030   0.4365   0.0000   0.0000  134.018   48.827  ?   ?       ?      ? 
1 1 1   29   24   15 o  618.431   45.940   9.5743   1.2414   8.7634   1.4000   12.555   2.6844  572.736   47.546  664.127   78.620 -91.39124 91.87916 
1 1 1   29   24   17 o  509.052   38.418   4.9586   0.7497   4.1199   0.8020   10.774   2.1118  394.783   39.512  623.320   65.897 -228.5380 76.83552 
1 1 1   29   24   19 o  353.969   54.777   3.6368   0.7759   3.6378   0.8539   3.6319   1.8584  369.143   44.992  338.795   99.888 30.34763 109.5530 
1 1 1   29   24   21 o  250.947   46.238   1.3329   0.4150   1.1845   0.4383   2.6184   1.2901  207.427   42.525  294.468   82.118 -87.04083 92.47554 
1 1 1   29   24   23 o  195.768   46.513   0.7629   0.3709   0.6757   0.3904   1.5709   1.1886  156.818   45.653  234.719   81.053 -77.90042 93.02626 
1 1 1   29   24   25 o  191.350   45.260   0.8772   0.3716   0.8575   0.3914   1.0565   1.1812  175.433   43.590  207.266   79.333 -31.83289 90.51965 
1 1 1   29   24   27 o  202.339   44.277   1.1102   0.3971   1.1176   0.4242   1.0579   1.1289  200.456   42.477  204.222   77.702 -3.765808 88.55415 
1 1 1   29   24   29 o  268.554   57.395   2.2036   0.8433   1.9058   1.0754   2.6790   1.3588  248.659   76.582  288.449   85.510 -39.78957 114.7899 
1 1 1   29   24   31 o  264.483   42.989   0.9710   0.4052   0.6263   0.4254   4.3419   1.3303  150.980   48.399  377.986   71.061 -227.0058 85.97771 
1 1 1   29   24   33 o  129.537   43.668   0.4419   0.3446   0.4419   0.3446   0.0000   0.0000  129.537   43.668  ?   ?       ?      ? 
1 1 1   29   24   35 o  182.935   42.008   0.9857   0.3630   1.0349   0.3829   0.5498   1.1395  191.359   40.200  174.511   73.775 16.84772 84.01640 
1 1 1   29   25    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   25    2 o  431.107   91.711   5.5329   1.9702   0.0000   0.0000   5.5329   1.9702  ?   ?   431.107   91.711      ?      ? 
1 1 1   29   25    4 o  542.883   87.388   8.4630   2.4391   0.0000   0.0000   8.4630   2.4391  ?   ?   542.883   87.388      ?      ? 
1 1 1   29   25    6 f  374.564   54.122   3.2935   0.9546   2.2825   1.1096   6.1711   1.8721  280.767   75.314  468.361   77.748 -187.5935 108.2448 
1 1 1   29   25    8 f  443.214   50.661   4.7677   1.0382   3.7852   1.2047   7.6023   2.0462  366.444   66.391  519.985   76.540 -153.5414 101.3219 
1 1 1   29   25   10 o  282.628   61.637   2.3915   0.9943   2.7102   1.2785   1.9036   1.5819  303.306   80.607  261.950   93.269 41.35617 123.2749 
1 1 1   29   25   12 o  431.559   57.367   5.6603   0.9859   5.8532   1.1067   4.9182   2.1706  468.812   45.916  394.305  105.145 74.50662 114.7335 
1 1 1   29   25   14 o  149.765   40.236   0.4885   0.4011   0.6206   0.4521   0.0000   0.8694  153.752   49.958  145.778   63.087 7.973511 80.47200 
1 1 1   29   25   16 o  427.967   49.312   4.5260   0.7404   4.2683   0.7942   6.2356   2.0456  402.049   38.422  453.886   90.832 -51.83722 98.62384 
1 1 1   29   25   18 o  495.186   49.984   6.6659   0.8570   6.5442   0.9253   7.3993   2.2718  498.324   36.117  492.048   93.216 6.275909 99.96834 
1 1 1   29   25   20 o  212.867   50.497   1.0545   0.4987   0.9662   0.5374   1.6023   1.3377  185.994   53.396  239.740   85.725 -53.74644 100.9944 
1 1 1   29   25   22 o  307.373   51.299   3.4260   0.7748   4.0224   0.8674   1.0701   1.7240  387.628   43.523  227.119   92.909 160.5083 102.5981 
1 1 1   29   25   24 o  160.776   44.569   0.4686   0.2967   0.4647   0.3048   0.5391   1.2892  131.729   40.807  189.822   79.248 -58.09291 89.13733 
1 1 1   29   25   26 o  316.725   49.362   2.7410   0.5682   2.6618   0.6094   3.2667   1.5703  316.074   37.504  317.376   91.323 -1.301910 98.72408 
1 1 1   29   25   28 o  230.681   44.246   1.6456   0.4613   1.7405   0.4992   1.0913   1.2068  254.967   38.085  206.394   79.876 48.57355 88.49143 
1 1 1   29   25   30 o  281.596   46.802   1.7449   0.5557   1.2900   0.6123   3.8694   1.3231  210.052   55.764  353.140   75.181 -143.0879 93.60438 
1 1 1   29   25   32 o  212.608   43.247   1.2765   0.4566   1.2765   0.4566   0.0000   0.0000  212.608   43.247  ?   ?       ?      ? 
1 1 1   29   25   34 o  272.478   50.246   2.0440   0.5159   1.9475   0.5477   2.8045   1.5379  266.834   39.921  278.121   92.223 -11.28714 100.4928 
1 1 1   29   25   36 o  213.005   44.570   1.0113   0.3948   0.8120   0.4248   2.2714   1.0682  166.642   47.356  259.368   75.520 -92.72646 89.13992 
1 1 1   29   26    1 o  579.105   62.567   9.7310   1.8083   11.300   2.6358   8.3361   2.4855  630.578   81.303  527.631   95.123 102.9470 125.1343 
1 1 1   29   26    3 o  219.350   50.585   1.1617   0.7547   2.1903   1.0363   0.0000   1.1012  275.521   72.262  163.178   70.808 112.3429 101.1706 
1 1 1   29   26    5 o  382.884   67.361   4.5316   1.3473   5.5784   1.8673   3.3950   1.9458  434.499   86.631  331.269  103.174 103.2297 134.7212 
1 1 1   29   26    7 o  210.841   52.258   0.8334   0.5565   0.6132   0.6089   1.9486   1.3704  160.709   57.798  260.974   87.081 -100.2651 104.5164 
1 1 1   29   26    9 o  198.022   51.383   0.7559   0.5336   0.6242   0.5812   1.4626   1.3462  159.991   56.581  236.053   85.786 -76.06129 102.7650 
1 1 1   29   26   11 o  205.908   42.264   1.2111   0.4686   1.3320   0.5790   0.9818   0.7977  218.327   52.274  193.490   66.425 24.83728 84.52709 
1 1 1   29   26   13 o  164.228   44.182   0.6083   0.4534   0.7265   0.4955   0.0000   1.1240  164.631   52.181  163.824   71.313 0.8074799 88.36500 
1 1 1   29   26   15 o  363.419   58.346   3.7913   1.0646   2.8056   1.3799   5.2407   1.6733  304.894   84.894  421.944   80.062 -117.0497 116.6912 
1 1 1   29   26   17 o  462.454   49.403   5.4957   0.7986   5.2622   0.8590   6.9831   2.1678  446.342   37.434  478.565   91.439 -32.22324 98.80499 
1 1 1   29   26   19 f  530.295   46.322   6.9045   1.0486   6.2053   1.1685   9.7959   2.3762  480.285   47.322  580.304   79.646 -100.0188 92.64420 
1 1 1   29   26   21 o  175.093   44.175   0.6032   0.3327   0.5521   0.3494   1.0995   1.0890  142.922   43.585  207.264   76.851 -64.34128 88.35044 
1 1 1   29   26   23 o  363.643   45.512   2.4942   0.5685   2.0962   0.5994   6.0564   1.7933  279.798   41.670  447.488   80.926 -167.6903 91.02403 
1 1 1   29   26   25 o  346.989   40.627   2.1829   0.5208   1.7643   0.5522   5.5515   1.5666  256.160   41.931  437.819   69.598 -181.6588 81.25311 
1 1 1   29   26   27 o  176.706   41.979   0.8390   0.3577   0.8754   0.3804   0.5613   1.0515  176.692   42.413  176.719   72.457 -0.2700806E-01 83.95726 
1 1 1   29   26   29 o  205.136   79.030   1.1256   1.1772   0.0000   0.0000   1.1256   1.1772  ?   ?   205.136   79.030      ?      ? 
1 1 1   29   26   31 o  124.158   41.272   0.4064   0.3079   0.4064   0.3079   0.0000   0.0000  124.158   41.272  ?   ?       ?      ? 
1 1 1   29   26   33 o  340.152   39.884   3.1631   0.6975   3.1631   0.6975   0.0000   0.0000  340.152   39.884  ?   ?       ?      ? 
1 1 1   29   26   35 o  404.544   56.631   5.5935   0.8125   5.6600   0.8806   5.2124   2.1072  454.782   37.662  354.306  106.818 100.4753 113.2629 
1 1 1   29   27    0 o  185.745   94.246   1.4031   1.1242   1.4031   1.1242   0.0000   0.0000  185.745   94.246  185.745   94.246 0.000000 0.000000 
1 1 1   29   27    2 o  382.212   65.452   4.4576   1.2789   5.0308   1.7884   3.8576   1.8296  410.923   87.341  353.501   97.506 57.42209 130.9042 
1 1 1   29   27    4 o  201.398   49.430   0.8785   0.6965   1.7749   0.9900   0.0000   0.9800  248.479   72.803  154.316   66.881 94.16278 98.86004 
1 1 1   29   27    6 o  385.135   60.703   4.1101   1.2408   2.1721   1.6060   6.9799   1.9543  273.680   94.234  496.591   76.548 -222.9107 121.4065 
1 1 1   29   27    8 o  220.667   52.723   1.3823   0.6584   1.5695   0.7249   0.4998   1.5739  235.403   59.780  205.932   86.862 29.47136 105.4454 
1 1 1   29   27   10 f  441.857   63.135   5.7897   1.3720   5.2769   1.7972   6.5060   2.1240  420.400   86.050  463.313   92.409 -42.91235 126.2698 
1 1 1   29   27   12 o  204.176   45.699   0.7620   0.4595   0.4637   0.5098   2.0537   1.0609  143.465   52.693  264.888   74.680 -121.4234 91.39843 
1 1 1   29   27   14 o  209.587   47.685   1.2082   0.5260   1.2495   0.5929   1.0557   1.1392  210.663   54.376  208.511   78.349 2.152405 95.36938 
1 1 1   29   27   16 o  585.974   49.956   9.2551   0.9788   9.1111   1.0441   10.301   2.8133  588.346   34.516  583.602   93.761 4.744263 99.91252 
1 1 1   29   27   18 o  125.590   35.488   0.2865   0.2190   0.3079   0.2270   0.0000   0.8312  109.380   35.388  141.801   61.524 -32.42013 70.97569 
1 1 1   29   27   20 o  190.478   47.501   0.8574   0.4711   0.8043   0.5164   1.1204   1.1501  171.002   53.135  209.954   78.754 -38.95197 95.00268 
1 1 1   29   27   22 o  242.588   46.952   1.1847   0.4595   0.9246   0.4945   2.8294   1.2434  181.221   50.948  303.955   78.881 -122.7340 93.90350 
1 1 1   29   27   24 o  472.716   46.220   5.1410   0.8031   4.6574   0.8590   8.4996   2.2636  416.884   40.076  528.547   83.302 -111.6634 92.44059 
1 1 1   29   27   26 o  221.038   41.977   0.7074   0.3362   0.4878   0.3529   2.8590   1.1049  135.412   44.145  306.663   71.411 -171.2504 83.95394 
1 1 1   29   27   28 o  215.505   62.035   1.3821   0.7245   1.3821   0.7245   0.0000   0.0000  215.505   62.035  ?   ?       ?      ? 
1 1 1   29   27   30 f  246.445   41.029   1.6544   0.5199   1.6544   0.5199   0.0000   0.0000  246.445   41.029  ?   ?       ?      ? 
1 1 1   29   27   32 o  445.082   43.631   4.2455   0.7242   3.6151   0.7725   8.8269   2.0824  362.830   41.410  527.334   76.810 -164.5048 87.26118 
1 1 1   29   27   34 o  223.436   49.062   1.4051   0.4408   1.3676   0.4617   1.7909   1.4807  218.863   42.565  228.008   88.412 -9.145020 98.12492 
1 1 1   29   28    1 o  784.652   57.818   17.677   2.3294   16.540   3.2549   18.871   3.3350  756.877   83.646  812.427   79.843 -55.54962 115.6354 
1 1 1   29   28    3 o  283.314   62.088   2.3941   0.9987   2.2918   1.4347   2.4902   1.3910  278.015   88.861  288.612   86.738 -10.59720 124.1760 
1 1 1   29   28    5 o  235.999   53.634   1.3893   0.8046   0.4490   1.0852   2.5368   1.1989  178.825   73.499  293.174   78.129 -114.3497 107.2672 
1 1 1   29   28    7 o  304.354   53.958   2.4328   0.7789   1.9964   0.9149   3.5825   1.4849  263.159   67.341  345.549   84.326 -82.38980 107.9152 
1 1 1   29   28    9 o  188.371   46.905   0.8545   0.5035   0.8011   0.5767   1.0255   1.0321  173.197   56.431  203.546   74.940 -30.34805 93.81013 
1 1 1   29   28   11 o  196.508   52.364   0.8866   0.7014   0.8039   0.8831   1.0281   1.1546  185.217   69.101  207.800   78.696 -22.58318 104.7284 
1 1 1   29   28   13 o  175.137   45.930   0.7186   0.4834   0.7649   0.5399   0.5314   1.0846  168.852   54.570  181.421   73.895 -12.56870 91.86058 
1 1 1   29   28   15 f  231.159   51.106   1.0008   0.5466   0.6670   0.5970   2.7315   1.3593  163.027   57.377  299.292   84.589 -136.2653 102.2124 
1 1 1   29   28   17 o  193.526   42.357   0.6886   0.2960   0.5975   0.3093   1.6810   1.0210  147.440   39.850  239.613   74.755 -92.17300 84.71375 
1 1 1   29   28   19 o  289.948   52.006   2.9289   0.7326   3.3025   0.8055   1.1402   1.7625  350.435   44.709  229.461   93.912 120.9741 104.0116 
1 1 1   29   28   21 o  350.117   40.914   1.9680   0.5162   1.4659   0.5450   6.3423   1.6086  228.603   47.906  471.632   66.340 -243.0284 81.82883 
1 1 1   29   28   23 o  321.918   53.745   3.2148   0.6336   3.2557   0.6752   2.9129   1.8330  349.309   37.598  294.528  100.701 54.78088 107.4910 
1 1 1   29   28   25 o  155.263   44.357   0.2391   0.3032   0.1716   0.3141   1.1666   1.1639  102.210   40.396  208.316   78.984 -106.1059 88.71443 
1 1 1   29   28   27 o  272.227   48.826   2.0989   0.6583   2.0989   0.6583   0.0000   0.0000  272.227   48.826  ?   ?       ?      ? 
1 1 1   29   28   29 o  228.941   55.183   1.4628   0.7482   1.0196   0.9100   2.3874   1.3144  191.020   70.362  266.861   85.028 -75.84074 110.3656 
1 1 1   29   28   31 o  146.616   40.563   0.4190   0.2954   0.4009   0.3099   0.5988   0.9756  123.205   41.410  170.027   69.761 -46.82195 81.12595 
1 1 1   29   28   33 o  248.118   47.651   1.9359   0.4949   1.9517   0.5280   1.8217   1.4199  266.774   38.496  229.462   87.181 37.31181 95.30222 
1 1 1   29   29    0 o  845.378   83.559   20.032   3.5503   0.0000   0.0000   20.032   3.5503  845.378   83.559  845.378   83.559 -0.000000 0.000000 
1 1 1   29   29    2 o  311.772   59.297   2.7863   1.0924   4.7819   1.5912   1.0077   1.5022  403.278   79.572  220.266   87.936 183.0118 118.5942 
1 1 1   29   29    4 o  232.903   52.449   1.4786   0.7772   2.3200   1.0635   0.5141   1.1386  281.642   72.885  184.163   75.441 97.47836 104.8977 
1 1 1   29   29    6 o  244.173   57.774   1.7053   0.8541   1.8176   1.1538   1.5691   1.2702  250.223   79.657  238.123   83.702 12.09937 115.5481 
1 1 1   29   29    8 o  252.500   46.623   2.0704   0.7254   2.8808   0.8556   0.0000   1.3676  326.726   50.937  178.274   78.103 148.4521 93.24506 
1 1 1   29   29   10 o  291.772   54.896   2.3151   0.7732   1.9925   0.9093   3.1569   1.4692  262.152   67.165  321.392   86.850 -59.24060 109.7910 
1 1 1   29   29   12 o  280.615   41.212   1.8911   0.6242   0.5957   0.7802   4.1945   1.0404  167.745   64.412  393.486   51.428 -225.7410 82.42373 
1 1 1   29   29   14 o  249.619   53.322   1.6742   0.6574   1.5154   0.7502   2.1998   1.3647  229.544   62.075  269.693   86.715 -40.14897 106.6434 
1 1 1   29   29   16 o  199.107   50.100   0.7351   0.4077   0.6469   0.4260   1.6948   1.4055  154.575   48.299  243.639   87.791 -89.06458 100.2001 
1 1 1   29   29   18 o  318.978   54.289   3.0674   0.7328   3.1046   0.8075   2.8935   1.7451  339.007   46.330  298.949   98.197 40.05771 108.5775 
1 1 1   29   29   20 o  260.579   49.463   2.2111   0.6504   2.4654   0.7257   1.1738   1.4659  301.405   46.834  219.754   87.137 81.65123 98.92623 
1 1 1   29   29   22 o  638.694   40.760   8.8507   0.9932   7.7562   1.0663   16.021   2.7294  538.457   38.519  738.931   71.845 -200.4742 81.51982 
1 1 1   29   29   24 o  298.172   49.557   1.7006   0.5670   1.2527   0.6070   4.7612   1.5867  207.627   55.710  388.718   81.977 -181.0902 99.11493 
1 1 1   29   29   26 o  175.688   43.778   0.8740   0.3940   0.8740   0.3940   0.0000   0.0000  175.688   43.778  ?   ?       ?      ? 
1 1 1   29   29   28 o  175.692   44.325   0.8315   0.4263   0.8710   0.4623   0.6071   1.1019  173.887   49.396  177.497   73.613 -3.609329 88.64990 
1 1 1   29   29   30 o  411.024   54.024   4.9262   0.7752   4.7410   0.8347   6.0878   2.0905  416.978   38.936  405.069  100.789 11.90897 108.0483 
1 1 1   29   29   32 o  294.206   50.396   2.5992   0.5745   2.5218   0.6182   3.0888   1.5549  302.608   39.736  285.805   92.630 16.80228 100.7926 
1 1 1   29   30    1 o  299.110   65.801   2.7554   1.1233   2.9620   1.5476   2.5255   1.6329  310.239   91.064  287.982   95.007 22.25787 131.6015 
1 1 1   29   30    3 o  260.676   59.727   2.0030   0.9148   1.9163   1.3325   2.0804   1.2583  256.404   85.868  264.949   83.042 -8.545410 119.4539 
1 1 1   29   30    5 o  190.806   53.472   0.6504   0.7297   0.4693   0.8760   1.0604   1.3185  166.783   66.952  214.830   83.392 -48.04684 106.9431 
1 1 1   29   30    7 o  367.359   54.240   3.5500   0.9298   2.8115   1.1024   5.3703   1.7308  310.354   70.674  424.365   82.300 -114.0104 108.4809 
1 1 1   29   30    9 o  171.075   47.911   0.5057   0.6492   0.8815   0.8571   0.0000   0.9942  188.073   68.437  154.077   67.069 33.99565 95.82188 
1 1 1   29   30   11 o  315.286   53.444   2.2127   0.7551   1.5156   0.8487   4.8611   1.6543  229.012   67.499  401.560   82.880 -172.5473 106.8888 
1 1 1   29   30   13 o  188.257   48.366   0.8018   0.4998   0.7337   0.5527   1.1077   1.1716  166.139   55.295  210.374   79.369 -44.23552 96.73145 
1 1 1   29   30   15 o  559.390   44.505   7.4732   0.8783   7.0183   0.9362   10.809   2.5352  515.138   35.350  603.641   81.688 -88.50323 89.00908 
1 1 1   29   30   17 o  382.547   48.811   3.5988   0.6194   3.3909   0.6572   5.2545   1.8545  357.653   35.739  407.441   90.845 -49.78726 97.62186 
1 1 1   29   30   19 o  175.790   42.703   0.6268   0.3110   0.5675   0.3269   1.1930   1.0108  143.666   41.763  207.914   74.498 -64.24768 85.40518 
1 1 1   29   30   21 o  170.389   45.250   0.5014   0.3496   0.4279   0.3673   1.2081   1.1389  130.238   45.054  210.540   78.488 -80.30226 90.49963 
1 1 1   29   30   23 o  156.025   45.940   0.6807   0.3933   0.6807   0.3933   0.0000   0.0000  156.025   45.940  ?   ?       ?      ? 
1 1 1   29   30   25 o  138.446   40.023   0.3544   0.2877   0.3808   0.2982   0.0000   1.0929  121.098   40.620  155.794   68.973 -34.69645 80.04523 
1 1 1   29   30   27 o  132.154   41.654   0.0741   0.2458   0.0493   0.2513   0.6184   1.1774   83.503   34.935  180.805   75.629 -97.30236 83.30823 
1 1 1   29   30   29 f  161.253   45.047   0.5674   0.4278   0.5581   0.4608   0.6257   1.1518  144.494   50.433  178.012   74.655 -33.51836 90.09404 
1 1 1   29   30   31 f  204.557   45.039   1.3513   0.4314   1.4246   0.4527   0.6279   1.4225  224.329   40.753  184.786   80.331 39.54274 90.07718 
1 1 1   29   31    0 o  162.022   91.575   1.0199   1.1709   1.0199   1.1709   0.0000   0.0000  162.022   91.575  162.022   91.575 0.000000 0.000000 
1 1 1   29   31    2 o  387.245   62.760   4.5868   1.2831   2.9978   1.7905   6.2642   1.8396  308.015   99.356  466.474   76.705 -158.4591 125.5204 
1 1 1   29   31    4 o  153.620   45.152   0.2306   0.5931   0.4847   0.8598   0.0000   0.8191  166.225   66.470  141.015   61.129 25.21011 90.30499 
1 1 1   29   31    6 o  277.255   59.918   2.1771   0.9495   1.4243   1.2318   3.2791   1.4903  228.412   82.199  326.098   87.200 -97.68613 119.8354 
1 1 1   29   31    8 o  450.017   64.968   6.2483   1.4482   5.9421   1.9614   6.6153   2.1474  439.273   89.876  460.761   93.838 -21.48834 129.9359 
1 1 1   29   31   10 o  306.007   56.927   1.9598   0.7808   1.2757   0.8649   4.9763   1.8160  212.373   69.099  399.640   90.489 -187.2663 113.8549 
1 1 1   29   31   12 o  189.870   43.265   1.0230   0.5025   1.3140   0.6285   0.5076   0.8365  214.526   56.281  165.214   65.726 49.31154 86.52953 
1 1 1   29   31   14 o  443.084   52.754   5.0756   1.0367   4.3466   1.1855   7.4446   2.1371  395.408   58.314  490.760   87.929 -95.35120 105.5085 
1 1 1   29   31   16 o  481.848   43.734   5.1693   0.7597   4.6805   0.8089   8.8224   2.2114  419.295   37.525  544.401   79.009 -125.1055 87.46721 
1 1 1   29   31   18 o  126.678   38.797   0.1831   0.2464   0.1937   0.2534   0.0000   1.0492   97.925   36.922  155.431   68.245 -57.50657 77.59303 
1 1 1   29   31   20 o  214.735   67.506   1.3621   0.8308   1.3621   0.8308   0.0000   0.0000  214.735   67.506  ?   ?       ?      ? 
1 1 1   29   31   22 o  128.396   41.806   0.4378   0.3166   0.4378   0.3166   0.0000   0.0000  128.396   41.806  ?   ?       ?      ? 
1 1 1   29   31   24 o  250.814   50.971   1.6006   0.4873   1.4943   0.5148   2.5147   1.5097  229.979   45.155  271.648   91.397 -41.66852 101.9427 
1 1 1   29   31   26 o  139.064   38.714   0.4197   0.2914   0.4591   0.3047   0.0000   0.9946  129.720   40.898  148.409   65.746 -18.68913 77.42893 
1 1 1   29   31   28 o  220.738   48.693   1.6401   0.5588   1.7815   0.5969   0.6370   1.5900  248.255   48.507  193.222   84.445 55.03351 97.38505 
1 1 1   29   31   30 o  144.462   40.290   0.4748   0.2948   0.5075   0.3047   0.0000   1.1611  134.333   40.649  154.590   69.576 -20.25708 80.58003 
1 1 1   29   32    1 o  205.657   54.753   1.0439   0.7824   1.0307   1.1989   1.0537   1.0325  207.906   79.842  203.407   74.946 4.499924 109.5060 
1 1 1   29   32    3 o  275.401   61.759   2.2545   0.9994   3.0016   1.4801   1.6283   1.3550  310.598   88.434  240.204   86.235 70.39417 123.5190 
1 1 1   29   32    5 o  172.194   47.021   0.4985   0.6161   0.0000   0.8310   1.1072   0.9182  141.557   61.468  202.832   71.174 -61.27534 94.04252 
1 1 1   29   32    7 o  249.416   59.770   1.8042   0.9196   1.4201   1.2535   2.2519   1.3531  227.517   82.767  271.316   86.251 -43.79929 119.5394 
1 1 1   29   32    9 o  264.177   55.651   1.8455   0.7314   1.5167   0.8448   2.8290   1.4613  228.141   67.373  300.213   88.594 -72.07227 111.3014 
1 1 1   29   32   11 o  269.612   57.479   2.2987   0.8234   2.4795   0.9400   1.7024   1.7073  291.707   64.399  247.517   95.226 44.18944 114.9572 
1 1 1   29   32   13 o  248.537   49.265   2.0720   0.7013   2.5671   0.8092   0.5770   1.4060  301.460   54.200  195.614   82.282 105.8458 98.52910 
1 1 1   29   32   15 o  270.048   49.786   1.1654   0.4555   0.8954   0.4757   4.1439   1.5800  178.089   49.939  362.008   86.142 -183.9184 99.57115 
1 1 1   29   32   17 o  123.334   42.411   0.3826   0.3252   0.3826   0.3252   0.0000   0.0000  123.334   42.411  ?   ?       ?      ? 
1 1 1   29   32   19 o  184.465   48.962   0.9701   0.4721   0.9701   0.4721   0.0000   0.0000  184.465   48.962  ?   ?       ?      ? 
1 1 1   29   32   21 o  223.822   48.959   1.2495   0.4420   1.1731   0.4674   1.8964   1.3602  203.317   45.813  244.328   86.540 -41.01106 97.91855 
1 1 1   29   32   23 o  220.025   43.750   1.4081   0.4211   1.4282   0.4527   1.2796   1.1468  229.941   38.293  210.110   78.675 19.83151 87.49933 
1 1 1   29   32   25 o  258.121   51.441   1.4994   0.4770   1.3167   0.5015   3.2362   1.5462  214.060   46.868  302.181   91.588 -88.12158 102.8829 
1 1 1   29   32   27 o  165.834   42.923   0.7662   0.4075   0.8619   0.4322   0.0000   1.2231  172.238   47.341  159.430   71.613 12.80722 85.84655 
1 1 1   29   33    0 o  442.243  109.550   6.3829   2.1559   6.3829   2.1559   0.0000   0.0000  442.243  109.550  442.243  109.550 0.000000 0.000000 
1 1 1   29   33    2 o  349.446   67.527   3.9997   1.3026   5.1586   1.7986   2.7213   1.8889  407.382   88.411  291.510  102.094 115.8714 135.0549 
1 1 1   29   33    4 o  255.713   61.076   1.8761   1.0022   1.0117   1.3945   2.7998   1.4415  212.665   84.779  298.761   87.942 -86.09662 122.1526 
1 1 1   29   33    6 o  302.701   64.440   2.9168   1.0850   2.9736   1.4926   2.8532   1.5799  306.543   89.277  298.860   92.950 7.682648 128.8801 
1 1 1   29   33    8 o  344.290   92.676   3.8157   1.6767   3.8157   1.6767   0.0000   0.0000  344.290   92.676  ?   ?       ?      ? 
1 1 1   29   33   10 o  177.345   60.307   0.8487   0.6574   0.8487   0.6574   0.0000   0.0000  177.345   60.307  ?   ?       ?      ? 
1 1 1   29   33   12 o  270.678   86.563   2.3079   1.3613   2.3079   1.3613   0.0000   0.0000  270.678   86.563  ?   ?       ?      ? 
1 1 1   29   33   14 o  219.114   45.889   1.3802   0.4335   1.4077   0.4613   1.1721   1.2677  225.706   41.275  212.522   81.973 13.18379 91.77782 
1 1 1   29   33   16 o  140.929   41.761   0.5466   0.3241   0.5466   0.3241   0.0000   0.0000  140.929   41.761  ?   ?       ?      ? 
1 1 1   29   33   18 o  313.464   47.823   1.6539   0.5467   1.1661   0.5791   5.6479   1.6573  200.433   54.682  426.495   78.472 -226.0620 95.64520 
1 1 1   29   33   20 o  280.186   48.050   1.9508   0.5291   1.7333   0.5729   3.2107   1.3789  247.587   46.722  312.786   83.978 -65.19962 96.10017 
1 1 1   29   33   22 o  271.301   51.618   1.7699   0.5008   1.6068   0.5276   3.2531   1.5912  238.526   44.668  304.076   93.072 -65.55002 103.2354 
1 1 1   29   33   24 o  281.712   48.634   1.7000   0.4958   1.4170   0.5260   3.9511   1.4836  221.728   47.569  341.697   84.843 -119.9694 97.26816 
1 1 1   29   33   26 o  256.660   52.267   1.8284   0.5153   1.7349   0.5433   2.6659   1.6260  246.668   44.475  266.651   94.600 -19.98315 104.5336 
1 1 1   29   34    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   34    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   34    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   34    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   34    9 o  229.013   78.233   1.5478   1.1063   1.5478   1.1063   0.0000   0.0000  229.013   78.233  ?   ?       ?      ? 
1 1 1   29   34   11 o  327.034   66.980   3.6156   1.2114   4.1188   1.6214   2.9797   1.8227  357.435   88.661  296.634  100.422 60.80148 133.9601 
1 1 1   29   34   13 o  181.586   43.604   0.4769   0.2802   0.3837   0.2899   1.7949   1.0901  121.408   40.033  241.764   77.477 -120.3562 87.20876 
1 1 1   29   34   15 o  257.704   39.889   1.0333   0.3612   0.7470   0.3801   3.6945   1.1589  162.921   44.241  352.487   66.387 -189.5659 79.77823 
1 1 1   29   34   17 o  330.614   56.204   3.8882   0.8219   4.1704   0.9031   2.5280   1.9830  390.311   45.006  270.916  103.006 119.3954 112.4089 
1 1 1   29   34   19 o  193.648   46.654   0.8923   0.3718   0.8555   0.3884   1.2955   1.2853  173.620   43.583  213.675   82.505 -40.05559 93.30861 
1 1 1   29   34   21 o  126.322   40.042   0.0250   0.2116   0.0000   0.2157   0.6608   1.0881   73.908   31.700  178.736   73.544 -104.8289 80.08493 
1 1 1   29   34   23 o  253.515   45.150   2.5305   0.6065   2.9262   0.6522   0.0000   1.6493  327.720   38.706  179.309   81.584 148.4116 90.30013 
1 1 1   29   34   25 o  183.649   46.812   0.8005   0.4093   0.7276   0.4353   1.3557   1.2013  158.733   48.696  208.565   79.963 -49.83173 93.62342 
1 1 1   29   35    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   35    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   35    4 o  211.963   81.283   1.1677   1.2414   0.0000   0.0000   1.1677   1.2414  ?   ?   211.963   81.283      ?      ? 
1 1 1   29   35    6 o  369.949   69.780   4.7283   1.3921   5.6863   1.8824   3.5720   2.0680  421.449   89.634  318.449  106.970 102.9998 139.5596 
1 1 1   29   35    8 o  235.821   59.462   1.6765   0.9255   1.9888   1.1964   1.2112   1.4602  252.826   81.181  218.817   86.906 34.00812 118.9244 
1 1 1   29   35   10 o  202.703   43.931   1.3343   0.4755   1.5265   0.5085   0.0000   1.3401  233.967   43.888  171.439   76.115 62.52766 87.86136 
1 1 1   29   35   12 o  198.920   45.355   0.7585   0.3198   0.6736   0.3321   1.8352   1.1831  155.181   41.011  242.659   80.910 -87.47755 90.71058 
1 1 1   29   35   14 o  363.139   36.641   2.8397   0.5652   2.2864   0.6222   5.4476   1.3508  290.346   41.684  435.933   60.272 -145.5878 73.28204 
1 1 1   29   35   16 o  216.447   46.762   1.3498   0.4503   1.3607   0.4808   1.2720   1.2863  219.702   44.094  213.191   82.477 6.511505 93.52390 
1 1 1   29   35   18 o  289.663   53.913   1.7821   0.6142   1.3619   0.6588   4.5680   1.6963  213.732   58.330  365.594   90.686 -151.8617 107.8253 
1 1 1   29   35   20 o  309.353   46.468   1.6568   0.4759   1.3062   0.4980   5.3466   1.6157  213.171   46.731  405.535   80.333 -192.3641 92.93594 
1 1 1   29   35   22 o  144.852   39.600   0.4966   0.3131   0.5450   0.3280   0.0000   1.0514  139.377   42.173  150.327   67.038 -10.94937 79.20050 
1 1 1   29   35   24 o  306.863   52.829   3.6384   0.6947   3.8652   0.7432   2.0678   1.9555  375.381   38.511  238.345   98.391 137.0357 105.6589 
1 1 1   29   36    1 o  153.190   43.048   0.4222   0.3669   0.4014   0.3915   0.5723   1.0520  129.125   46.352  177.255   72.552 -48.13028 86.09528 
1 1 1   29   36    3 o  267.289   49.700   1.6707   0.6234   1.1331   0.7086   3.5128   1.3116  197.975   62.361  336.603   77.405 -138.6281 99.40032 
1 1 1   29   36    5 o  132.482   39.398   0.2639   0.2804   0.2844   0.2911   0.0000   1.0453  110.675   39.944  154.289   67.921 -43.61413 78.79565 
1 1 1   29   36    7 o  387.913   56.677   4.5406   0.9249   4.4412   1.0426   4.9077   2.0033  400.576   50.626  375.251  101.420 25.32434 113.3533 
1 1 1   29   36    9 o  183.679   42.667   0.9439   0.3804   0.9889   0.4061   0.6219   1.0856  187.436   43.049  179.922   73.679 7.514587 85.33399 
1 1 1   29   36   11 o  376.218   51.895   3.5896   0.7481   3.2219   0.8128   5.6288   1.9140  342.577   46.146  409.859   92.967 -67.28265 103.7893 
1 1 1   29   36   13 o  391.046   58.860   4.4428   0.8523   4.2408   0.9207   5.6528   2.2538  392.788   45.593  389.304  108.533 3.483826 117.7203 
1 1 1   29   36   15 o  189.737   41.385   0.8931   0.3474   0.8175   0.3763   1.3289   0.9031  169.720   43.060  209.755   70.688 -40.03555 82.77084 
1 1 1   29   36   17 o  267.549   52.539   1.8163   0.5965   1.5336   0.6514   3.2841   1.4845  227.220   56.098  307.879   88.850 -80.65892 105.0780 
1 1 1   29   36   19 o  167.587   46.591   0.5866   0.3393   0.5817   0.3487   0.6736   1.4702  143.839   43.472  191.336   82.419 -47.49693 93.18159 
1 1 1   29   36   21 o  169.857   43.484   0.7336   0.3542   0.7381   0.3720   0.6894   1.1605  160.187   43.875  179.526   75.089 -19.33891 86.96773 
1 1 1   29   37    0 o   99.903   45.265   0.1077   0.2992   0.5780   0.9939   0.0608   0.3138  132.406   79.909   67.400   42.546 0.000000 0.000000 
1 1 1   29   37    2 o  237.184   40.780   1.6580   0.4975   1.3315   0.7056   1.9806   0.7014  212.202   61.262  262.167   53.840 -49.96460 81.55906 
1 1 1   29   37    4 o  267.270   39.801   2.0817   0.5304   1.7510   0.7446   2.4224   0.7557  243.256   59.931  291.285   52.390 -48.02832 79.60159 
1 1 1   29   37    6 f  228.734   37.716   1.5119   0.4367   1.2928   0.6038   1.7523   0.6325  210.402   55.150  247.066   51.463 -36.66388 75.43176 
1 1 1   29   37    8 o  266.149   52.939   2.2897   0.6805   2.3828   0.7567   1.8957   1.5567  288.018   53.055  244.281   91.627 43.73740 105.8784 
1 1 1   29   37   10 f  168.299   41.393   0.7973   0.3615   0.8812   0.3801   0.0000   1.1714  176.560   42.405  160.037   71.101 16.52307 82.78635 
1 1 1   29   37   12 o  299.542   51.363   2.2788   0.6176   1.9856   0.6727   3.8526   1.5585  262.288   51.720  336.796   88.757 -74.50876 102.7269 
1 1 1   29   37   14 o  241.870   50.452   1.9300   0.5936   2.0385   0.6419   1.2902   1.5587  267.038   48.544  216.702   88.460 50.33598 100.9044 
1 1 1   29   37   16 o  180.555   42.537   0.9903   0.4897   1.2652   0.5788   0.2987   0.9182  206.617   53.918  154.492   65.806 52.12418 85.07381 
1 1 1   29   37   18 o  239.798   46.482   1.1254   0.4955   0.6809   0.5420   3.3906   1.2236  156.996   54.704  322.600   75.166 -165.6044 92.96497 
1 1 1   29   37   20 o  266.504   47.763   1.2865   0.4362   1.0033   0.4572   4.1700   1.4588  184.910   47.755  348.098   82.733 -163.1871 95.52613 
1 1 1   29   38    1 o  189.997   46.530   1.0859   0.5614   1.3404   0.6238   0.0000   1.2886  213.451   56.103  166.543   74.247 46.90840 93.05942 
1 1 1   29   38    3 o  239.904   39.652   1.6895   0.4804   1.6047   0.6717   1.7783   0.6873  233.396   56.568  246.411   55.579 -13.01418 79.30331 
1 1 1   29   38    5 o  199.981   39.990   1.1819   0.4330   1.3358   0.5973   1.0116   0.6285  213.499   54.295  186.464   58.728 27.03441 79.98087 
1 1 1   29   38    7 o  141.794   32.675   0.5451   0.2800   0.6844   0.3814   0.3823   0.4124  155.642   45.071  127.945   47.321 27.69737 65.35049 
1 1 1   29   38    9 o  347.473   36.864   3.5525   0.6086   3.9784   0.7874   2.9205   0.9593  382.510   40.040  312.437   61.909 70.07321 73.72897 
1 1 1   29   38   11 o  205.297   35.895   1.2157   0.3723   1.1425   0.4847   1.3209   0.5814  198.812   47.973  211.781   53.409 -12.96896 71.79095 
1 1 1   29   38   13 o  207.352   49.004   1.2192   0.4947   1.2036   0.5321   1.3186   1.3430  202.554   51.100  212.149   83.633 -9.594528 98.00832 
1 1 1   29   38   15 f  308.507   50.292   2.9496   0.7566   2.7077   0.9421   3.3890   1.2699  296.786   63.651  320.227   77.882 -23.44101 100.5835 
1 1 1   29   38   17 o  387.528   61.405   5.4999   0.9817   5.6561   1.0825   4.7762   2.3300  447.854   47.014  327.201  113.455 120.6532 122.8107 
1 1 1   29   39    0 o  133.983   81.502   0.6022   1.0509   0.6022   1.0509   0.0000   0.0000  133.983   81.502  133.983   81.502 0.000000 0.000000 
1 1 1   29   39    2 o  138.756   33.700   0.5073   0.2909   0.4611   0.4091   0.5545   0.4136  134.387   47.477  143.124   47.840 -8.736893 67.39957 
1 1 1   29   39    4 o  118.639   31.186   0.3089   0.2558   0.2121   0.3508   0.4190   0.3740  108.644   42.770  128.633   45.398 -19.98868 62.37135 
1 1 1   29   39    6 o  210.391   39.533   1.3202   0.4370   1.4589   0.6082   1.1721   0.6283  222.484   53.768  198.299   57.969 24.18486 79.06583 
1 1 1   29   39    8 f  138.250   33.825   0.4960   0.3022   0.6652   0.4111   0.2971   0.4458  153.368   47.371  123.132   48.297 30.23662 67.65051 
1 1 1   29   39   10 o  274.629   40.433   2.2636   0.5592   2.5910   0.7588   1.8745   0.8271  303.482   48.635  245.777   64.606 57.70569 80.86646 
1 1 1   29   39   12 o  150.845   38.344   0.5976   0.3882   0.3787   0.5821   0.7728   0.5210  137.617   54.804  164.073   53.642 -26.45544 76.68714 
1 1 1   29   39   14 o  215.590   40.675   1.4390   0.5228   2.2490   0.7144   0.5050   0.7671  276.608   52.145  154.573   62.439 122.0344 81.34927 
1 1 1   29   39   16 o  265.557   88.326   2.6065   1.4102   2.6065   1.4102   0.0000   0.0000  265.557   88.326  ?   ?       ?      ? 
1 1 1   29   40    1 o  176.992   45.035   0.9176   0.5154   0.0000   1.2120   1.1201   0.5694  159.776   71.561  194.209   54.696 -34.43346 90.07050 
1 1 1   29   40    3 o  208.675   53.226   0.9260   0.5712   2.3621   1.4364   0.6563   0.6225  259.051   89.125  158.298   58.213 100.7527 106.4517 
1 1 1   29   40    5 o  141.345   32.370   0.4543   0.2907   0.1226   0.3796   0.9252   0.4522  104.371   43.238  178.318   48.184 -73.94636 64.74000 
1 1 1   29   40    7 o  129.012   33.739   0.3831   0.2922   0.2987   0.3764   0.5111   0.4634  117.551   44.834  140.472   50.430 -22.92087 67.47768 
1 1 1   29   40    9 o  248.864   54.263   2.0281   0.7294   2.1662   1.3195   1.9673   0.8754  248.689   85.430  249.038   66.931 -0.3488159 108.5263 
1 1 1   29   40   11 o  275.373   47.516   2.4286   0.6876   1.6642   0.9615   3.2289   0.9838  225.423   72.817  325.323   61.062 -99.89973 95.03122 
1 1 1   29   41    0 o  100.775   56.195   0.3921   0.4333   0.0000   0.0000   0.3921   0.4333  100.775   56.195  100.775   56.195 0.000000 0.000000 
1 1 1   29   41    2 o  233.051   43.415   1.7107   0.5335   1.9518   0.7127   1.4033   0.8045  254.955   55.910  211.146   66.436 43.80894 86.83093 
1 1 1   29   41    4 o  208.894   46.208   0.6285   0.5408   2.9809   1.1778   0.0000   0.6088  299.001   76.349  118.786   52.074 180.2158 92.41637 
1 1 1   29   41    6 o  240.048   55.841   1.8457   0.7354   2.3031   1.4217   1.6786   0.8593  251.648   88.545  228.448   68.062 23.19954 111.6811 
1 1 1   29   41    8 o  231.399   52.596   1.6622   0.6683   2.2410   1.2076   1.4066   0.8024  252.540   81.609  210.257   66.374 42.28322 105.1929 
1 1 1   30    0    0 o  351.579   97.142   3.8604   1.5186   0.0000   0.0000   3.8604   1.5186  351.579   97.142  351.579   97.142 -0.000000 0.000000 
1 1 1   30    0    2 o  364.225   68.342   4.1627   1.1041   3.8695   1.6249   4.4142   1.5048  343.906  105.170  384.544   87.302 0.000000 0.000000 
1 1 1   30    0    4 o  169.503   83.261   1.1113   0.8638   0.0000   0.0000   1.1113   0.8638  169.503   83.261  169.503   83.261 0.000000 0.000000 
1 1 1   30    0    6 o  132.964   70.723   0.6667   0.6539   0.6667   0.6539   0.0000   0.0000  132.964   70.723  132.964   70.723 -0.000000 0.000000 
1 1 1   30    0    8 o  304.275   83.321   2.9014   1.1270   0.0000   0.0000   2.9014   1.1270  304.275   83.321  304.275   83.321 0.000000 0.000000 
1 1 1   30    0   10 o  401.124   74.774   4.6157   1.3848   0.0000   0.0000   4.6157   1.3848  401.124   74.774  401.124   74.774 0.000000 0.000000 
1 1 1   30    0   12 o  228.783  100.920   1.9981   1.2465   1.9981   1.2465   0.0000   0.0000  228.783  100.920  228.783  100.920 0.000000 0.000000 
1 1 1   30    0   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   16 o  128.508   75.298   0.5253   0.8351   0.0000   0.0000   0.5253   0.8351  128.508   75.298  128.508   75.298 -0.000000 0.000000 
1 1 1   30    0   18 o  135.475   81.292   0.5258   1.0168   0.0000   0.0000   0.5258   1.0168  135.475   81.292  135.475   81.292 -0.000000 0.000000 
1 1 1   30    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   22 o   64.612   43.540  -0.1789   0.4169  -0.1789   0.4169   0.0000   0.0000   64.612   43.540   64.612   43.540 -0.000000 0.000000 
1 1 1   30    0   24 o  395.170   72.592   4.5214   1.3280   0.0000   0.0000   4.5214   1.3280  395.170   72.592  395.170   72.592 0.000000 0.000000 
1 1 1   30    0   26 o  579.731   53.385   9.0827   1.4054   13.378   2.2079   6.1566   1.8222  703.062   62.202  456.400   86.780 0.000000 0.000000 
1 1 1   30    0   28 o  224.409   56.865   1.5469   0.7000   0.6326   0.8802   3.1201   1.1546  134.712   78.020  314.106   82.750 -0.000000 0.000000 
1 1 1   30    0   30 o  150.312   73.267   0.8945   0.6668   0.0000   0.0000   0.8945   0.6668  150.312   73.267  150.312   73.267 0.000000 0.000000 
1 1 1   30    0   32 o  134.010   51.250   0.5938   0.5152   1.0837   0.7929   0.2357   0.6779  164.370   79.935  103.651   64.159 0.000000 0.000000 
1 1 1   30    0   34 o  180.132   59.698   1.3005   0.6177   1.2372   0.8401   1.3751   0.9115  175.467   82.643  184.797   86.171 -0.000000 0.000000 
1 1 1   30    0   36 o  266.969   58.119   2.6668   0.7950   3.6228   1.0562   1.4172   1.2075  351.455   64.993  182.484   96.370 -0.000000 0.000000 
1 1 1   30    0   38 o  133.128   52.345   0.6630   0.5129   0.5407   0.6428   0.8772   0.8508  119.742   67.781  146.514   79.786 -0.000000 0.000000 
1 1 1   30    0   40 o  305.196   96.533   3.3088   1.3320   3.3088   1.3320   0.0000   0.0000  305.196   96.533  305.196   96.533 0.000000 0.000000 
1 1 1   30    0   42 o  120.766   64.958   0.5920   0.5575   0.5920   0.5575   0.0000   0.0000  120.766   64.958  120.766   64.958 -0.000000 0.000000 
1 1 1   30    1    1 o  942.362   45.555   23.712   2.0817   24.241   2.5699   22.702   3.5497  962.327   51.943  922.398   74.853 39.92963 91.10998 
1 1 1   30    1    3 o  649.354   46.939   11.736   1.4518   13.037   1.8141   9.4186   2.4213  706.110   49.972  592.597   79.474 113.5125 93.87897 
1 1 1   30    1    5 o  483.418   42.154   5.9515   1.0062   6.8960   1.7246   5.4641   1.2390  510.243   65.744  456.593   52.780 53.65021 84.30863 
1 1 1   30    1    7 o  721.641   63.441   13.779   2.3538   0.0000   0.0000   13.779   2.3538  ?   ?   721.641   63.441      ?      ? 
1 1 1   30    1    9 o  346.873   66.750   3.2960   1.1472   0.0000   0.0000   3.2960   1.1472  ?   ?   346.873   66.750      ?      ? 
1 1 1   30    1   11 o  384.475   84.297   4.1564   1.6204   4.1564   1.6204   0.0000   0.0000  384.475   84.297  ?   ?       ?      ? 
1 1 1   30    1   13 o  249.262   56.942   1.7045   0.7137   1.7045   0.7137   0.0000   0.0000  249.262   56.942  ?   ?       ?      ? 
1 1 1   30    1   15 o  594.304   48.821   9.2098   1.4491   8.3920   1.8133   10.655   2.4106  561.040   62.865  627.567   74.714 -66.52667 97.64286 
1 1 1   30    1   17 o  480.112   89.484   6.5691   2.1276   0.0000   0.0000   6.5691   2.1276  ?   ?   480.112   89.484      ?      ? 
1 1 1   30    1   19 o  272.653   58.343   2.0534   0.7931   0.0000   0.0000   2.0534   0.7931  ?   ?   272.653   58.343      ?      ? 
1 1 1   30    1   21 o  293.492   54.924   2.3636   0.7983   0.0000   0.0000   2.3636   0.7983  ?   ?   293.492   54.924      ?      ? 
1 1 1   30    1   23 o  203.052   46.079   1.0081   0.5346   1.5390   0.8967   0.7153   0.6659  234.496   69.451  171.608   60.577 62.88795 92.15789 
1 1 1   30    1   25 o  215.610   40.594   1.3444   0.4810   1.7726   0.6326   0.7574   0.7406  253.742   50.270  177.477   63.752 76.26534 81.18774 
1 1 1   30    1   27 o  350.362   41.526   3.4175   0.7026   3.5348   0.8945   3.2286   1.1353  363.980   47.800  336.744   67.918 27.23621 83.05213 
1 1 1   30    1   29 f  277.380   52.990   2.1373   0.7281   2.1373   0.7281   0.0000   0.0000  277.380   52.990  ?   ?       ?      ? 
1 1 1   30    1   31 o  175.821   40.962   0.8296   0.4310   0.6985   0.6572   0.9285   0.5710  168.314   60.095  183.327   55.680 -15.01259 81.92463 
1 1 1   30    1   33 o  372.839   34.752   3.7750   0.6620   4.2009   0.9310   3.3396   0.9415  395.411   45.797  350.266   52.281 45.14499 69.50304 
1 1 1   30    1   35 f  197.341   37.557   1.0970   0.4042   1.4999   0.5767   0.7079   0.5668  230.681   50.066  164.001   55.996 66.67981 75.11443 
1 1 1   30    1   37 o  279.757   37.205   2.2030   0.5215   2.2734   0.7098   2.1205   0.7688  288.378   47.875  271.136   56.963 17.24197 74.40970 
1 1 1   30    1   39 o  203.829   39.274   1.2103   0.4245   1.3599   0.6065   1.0668   0.5943  216.017   54.587  191.641   56.480 24.37604 78.54797 
1 1 1   30    1   41 o  210.599   54.147   1.3075   0.5895   1.3075   0.5895   0.0000   0.0000  210.599   54.147  ?   ?       ?      ? 
1 1 1   30    1   43 o  199.153   36.524   1.1810   0.3782   1.0726   0.5476   1.2798   0.5230  189.584   53.729  208.723   49.489 -19.13930 73.04784 
1 1 1   30    2    0 o  255.781   96.490   2.3183   1.1882   2.3183   1.1882   0.0000   0.0000  255.781   96.490  255.781   96.490 0.000000 0.000000 
1 1 1   30    2    2 o  676.075   48.923   12.719   1.5464   10.583   2.6986   13.764   1.8869  626.745   83.750  725.406   50.595 -98.66138 97.84631 
1 1 1   30    2    4 o  305.309   49.221   2.9187   0.7609   1.2660   1.3607   3.6706   0.9179  235.695   86.158  374.922   47.618 -139.2272 98.44126 
1 1 1   30    2    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   10 o  785.398   62.403   16.345   2.5198   16.345   2.5198   0.0000   0.0000  785.398   62.403  ?   ?       ?      ? 
1 1 1   30    2   12 o  489.509   57.674   7.0357   1.3111   8.1999   1.6651   5.1361   2.1270  556.912   58.156  422.105   99.615 134.8069 115.3481 
1 1 1   30    2   14 o  585.098   37.822   8.6640   1.1129   10.946   1.8187   7.2982   1.4070  643.782   54.948  526.414   51.989 117.3683 75.64469 
1 1 1   30    2   16 o  367.856   53.396   3.6606   0.9596   3.1201   1.2236   4.5241   1.5466  333.779   73.309  401.934   77.655 -68.15570 106.7919 
1 1 1   30    2   18 o  517.821   38.156   6.9124   0.9979   8.1878   1.6054   6.1093   1.2739  554.979   56.266  480.664   51.551 74.31500 76.31128 
1 1 1   30    2   20 o  317.180   37.817   2.7135   0.6007   3.0226   0.8578   2.4160   0.8415  338.052   49.357  296.309   57.310 41.74298 75.63387 
1 1 1   30    2   22 o  184.875   45.194   0.8156   0.4847   0.9841   0.9087   0.7486   0.5730  199.482   70.724  170.268   56.287 29.21364 90.38876 
1 1 1   30    2   24 o  389.108   47.329   4.3306   0.8307   3.8845   1.5066   4.5255   0.9958  365.161   82.228  413.055   46.892 -47.89429 94.65856 
1 1 1   30    2   26 o  202.995   47.451   1.0437   0.5723   1.4592   0.9087   0.7704   0.7368  228.095   70.420  177.894   63.619 50.20100 94.90164 
1 1 1   30    2   28 o  198.325   44.197   0.7703   0.5253   1.9415   0.9206   0.2048   0.6397  259.803   68.097  136.846   56.359 122.9569 88.39432 
1 1 1   30    2   30 o  148.022   53.143   0.5195   0.5146   0.5195   0.5146   0.0000   0.0000  148.022   53.143  ?   ?       ?      ? 
1 1 1   30    2   32 o  286.954   43.089   2.2899   0.6045   2.6617   0.9750   2.0578   0.7704  304.358   64.322  269.549   57.351 34.80905 86.17741 
1 1 1   30    2   34 o  173.108   38.809   0.8077   0.3969   1.0555   0.5642   0.5648   0.5585  193.207   54.456  153.010   55.310 40.19707 77.61891 
1 1 1   30    2   36 o  340.797   35.546   3.1884   0.6206   3.4584   0.8748   2.9148   0.8807  356.387   47.744  325.208   52.673 31.17892 71.09139 
1 1 1   30    2   38 o  270.140   39.035   2.0869   0.5331   1.6016   0.7431   2.6013   0.7651  232.687   61.271  307.593   48.381 -74.90614 78.06934 
1 1 1   30    2   40 o  175.406   63.109   0.8338   0.7260   0.0000   0.0000   0.8338   0.7260  ?   ?   175.406   63.109      ?      ? 
1 1 1   30    2   42 o  132.777   37.943   0.3109   0.3960   0.3016   0.5167   0.3242   0.6167  128.581   51.487  136.974   55.746 -8.392441 75.88541 
1 1 1   30    3    1 o  751.997   47.634   15.294   1.7043   15.859   2.0774   14.133   2.9804  778.259   51.919  725.734   79.877 52.52490 95.26756 
1 1 1   30    3    3 o  177.099   42.331   0.8048   0.4740   1.0801   0.5491  -0.0000   0.9388  199.505   52.736  154.692   66.231 44.81322 84.66158 
1 1 1   30    3    5 o  441.405   55.433   5.3410   1.2206   5.7131   1.6674   4.9113   1.7918  463.402   69.985  419.407   85.984 43.99466 110.8655 
1 1 1   30    3    7 o  345.178   72.660   3.2912   1.2487   3.2912   1.2487   0.0000   0.0000  345.178   72.660  ?   ?       ?      ? 
1 1 1   30    3    9 o  625.174   64.445   10.371   2.0714   10.371   2.0714   0.0000   0.0000  625.174   64.445  ?   ?       ?      ? 
1 1 1   30    3   11 o  406.750   39.768   4.2541   0.7992   4.7584   1.3594   3.9877   0.9879  423.511   62.434  389.989   49.273 33.52203 79.53506 
1 1 1   30    3   13 o  521.335   38.666   6.8381   1.0094   8.7536   1.6761   5.7479   1.2644  575.472   56.650  467.198   52.641 108.2733 77.33291 
1 1 1   30    3   15 o  363.584   37.836   3.5827   0.6673   4.6684   0.9574   2.5566   0.9307  422.260   44.100  304.907   61.493 117.3534 75.67189 
1 1 1   30    3   17 o  480.990   53.624   6.9190   1.0898   7.5460   1.2822   5.2877   2.0682  535.813   46.545  426.167   96.622 109.6459 107.2482 
1 1 1   30    3   19 o  607.565   40.272   10.186   1.1982   8.4378   1.9071   11.327   1.5402  559.084   66.347  656.046   45.665 -96.96155 80.54326 
1 1 1   30    3   21 o  414.979   34.775   4.5610   0.7417   4.5525   1.0370   4.5698   1.0614  414.720   48.635  415.238   49.718 -0.5184937 69.55049 
1 1 1   30    3   23 o  402.746   34.525   4.3112   0.7141   4.5221   1.0069   4.0978   1.0128  413.031   47.419  392.462   50.192 20.56857 69.04945 
1 1 1   30    3   25 o  310.873   46.931   2.6573   0.6790   2.7969   1.2697   2.6014   0.8035  309.553   79.397  312.192   50.061 -2.639008 93.86140 
1 1 1   30    3   27 o  404.251   49.131   4.4923   0.9884   5.5734   1.5237   3.7069   1.2988  449.576   65.921  358.926   72.869 90.64960 98.26182 
1 1 1   30    3   29 o  448.503   48.402   5.5997   1.0776   6.8926   1.6081   4.5460   1.4518  500.408   62.507  396.598   73.919 103.8101 96.80430 
1 1 1   30    3   31 o  149.988   51.896   0.5639   0.4874   0.5639   0.4874   0.0000   0.0000  149.988   51.896  ?   ?       ?      ? 
1 1 1   30    3   33 o  243.264   44.050   1.6383   0.5420   1.3804   0.6847   2.0709   0.8868  219.624   59.268  266.905   65.184 -47.28064 88.10004 
1 1 1   30    3   35 o  297.674   38.676   2.5357   0.5679   3.1395   0.7891   1.8870   0.8180  341.112   44.996  254.236   62.918 86.87567 77.35226 
1 1 1   30    3   37 o  263.921   38.811   2.0000   0.5224   1.2633   0.7282   2.7810   0.7498  208.085   62.809  319.758   45.610 -111.6729 77.62247 
1 1 1   30    3   39 o  142.952   39.281   0.4247   0.4169   0.2789   0.6307   0.5378   0.5556  137.066   56.146  148.839   54.951 -11.77365 78.56203 
1 1 1   30    3   41 o  218.639   39.315   1.4176   0.4429   1.4113   0.6241   1.4240   0.6288  218.189   55.501  219.089   55.698 -0.8995972 78.62977 
1 1 1   30    3   43 o  304.312   46.075   2.9805   0.6753   2.4836   1.1638   3.2326   0.8291  270.315   78.864  338.309   47.667 -67.99438 92.14977 
1 1 1   30    4    0 o  425.866   90.971   5.3550   1.7498   0.0000   0.0000   5.3550   1.7498  425.866   90.971  425.866   90.971 -0.000000 0.000000 
1 1 1   30    4    2 o  296.217   51.092   2.2580   0.8782   0.7249   1.2041   4.0005   1.2837  203.508   79.499  388.927   64.198 -185.4192 102.1835 
1 1 1   30    4    4 o  343.928   54.423   3.2762   1.0213   5.2585   1.4533   1.3422   1.4355  445.945   63.387  241.913   88.484 204.0321 108.8458 
1 1 1   30    4    6 o  459.708   46.800   5.5315   1.0986   6.3667   1.6711   4.8958   1.4580  489.820   66.359  429.596   66.011 60.22406 93.60012 
1 1 1   30    4    8 o  288.209   48.295   2.2379   0.7008   2.7669   1.0856   1.8599   0.9177  316.720   68.651  259.698   67.947 57.02243 96.59042 
1 1 1   30    4   10 o  678.382   38.762   11.636   1.2983   13.845   2.2347   10.511   1.5951  723.430   60.084  633.334   48.988 90.09576 77.52418 
1 1 1   30    4   12 o  200.421   44.549   1.0467   0.4842   1.0351   0.8896   1.0516   0.5772  204.023   70.142  196.820   54.941 7.203156 89.09760 
1 1 1   30    4   14 o  158.931   36.459   0.6388   0.3432   0.7726   0.4949   0.5150   0.4762  170.619   51.842  147.243   51.278 23.37569 72.91770 
1 1 1   30    4   16 o  357.171   35.245   3.3830   0.6424   2.9832   0.9220   3.7600   0.8954  335.890   53.393  378.451   46.020 -42.56119 70.48905 
1 1 1   30    4   18 o  516.348   47.978   6.8570   1.1100   6.5153   1.2746   7.9296   2.2584  496.696   49.914  536.001   81.952 -39.30487 95.95564 
1 1 1   30    4   20 o  165.319   41.295   0.6392   0.4322   0.7537   0.6767   0.5603   0.5617  175.318   61.122  155.321   55.546 19.99738 82.59084 
1 1 1   30    4   22 o  268.568   42.019   1.8868   0.5594   2.7531   0.9119   1.3642   0.7083  315.785   58.319  221.351   60.510 94.43387 84.03850 
1 1 1   30    4   24 o  405.024   51.309   5.1684   0.9114   3.3493   1.6393   5.9822   1.0965  334.620   92.295  475.428   44.858 -140.8079 102.6185 
1 1 1   30    4   26 o  197.041   45.761   1.0465   0.5143   0.8879   0.9465   1.1129   0.6127  194.001   71.706  200.081   56.872 -6.080521 91.52125 
1 1 1   30    4   28 o  369.335   47.559   3.8307   0.8175   3.8581   1.4543   3.8180   0.9884  361.776   80.283  376.895   51.010 -15.11835 95.11825 
1 1 1   30    4   30 o  360.298   43.366   3.4693   0.7522   4.1577   1.2971   3.1204   0.9233  381.063   68.737  339.533   52.894 41.53055 86.73233 
1 1 1   30    4   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   34 o  202.750   41.790   1.2233   0.4801   1.5121   0.5982   0.7006   0.8047  231.424   51.592  174.077   65.755 57.34729 83.57915 
1 1 1   30    4   36 o  237.542   38.059   1.6426   0.4549   1.8878   0.6139   1.3440   0.6774  259.886   47.701  215.198   59.316 44.68724 76.11716 
1 1 1   30    4   38 o  145.231   40.211   0.4371   0.4120   0.2681   0.7846   0.5014   0.4841  147.733   61.761  142.729   51.509 5.004181 80.42131 
1 1 1   30    4   40 o  376.990   35.443   3.9773   0.6773   3.2106   0.9417   4.7989   0.9748  336.570   54.418  417.410   45.425 -80.84000 70.88601 
1 1 1   30    4   42 o  225.133   43.722   1.4143   0.4927   1.1384   0.5906   2.0458   0.8935  195.211   55.957  255.054   67.196 -59.84346 87.44378 
1 1 1   30    5    1 o  431.295   38.175   4.8792   0.8464   4.9720   1.2078   4.7896   1.1864  435.328   53.963  427.263   54.011 8.065002 76.34928 
1 1 1   30    5    3 o  581.282   43.103   8.3952   1.2226   10.609   2.1801   7.3794   1.4767  632.321   67.062  530.243   54.169 102.0775 86.20657 
1 1 1   30    5    5 o  395.859   46.498   4.2317   0.8443   4.1912   1.5269   4.2495   1.0132  388.651   79.104  403.067   48.895 -14.41565 92.99594 
1 1 1   30    5    7 o  654.323   44.834   11.144   1.4945   12.954   2.3085   9.8384   1.9609  699.001   64.236  609.646   62.562 89.35474 89.66732 
1 1 1   30    5    9 o  541.830   43.822   7.7238   1.2154   8.3565   1.8260   7.2206   1.6286  561.270   63.280  522.389   60.640 38.88092 87.64452 
1 1 1   30    5   11 o  580.388   53.102   9.2753   1.5212   9.9613   1.9499   8.2081   2.4319  612.671   61.902  548.106   86.299 64.56451 106.2043 
1 1 1   30    5   13 o  444.853   34.813   5.1833   0.7948   5.6361   1.1568   4.7785   1.0937  463.330   48.564  426.376   49.893 36.95407 69.62617 
1 1 1   30    5   15 o  330.707   46.141   2.8303   0.7073   3.3795   1.3262   2.6120   0.8362  346.730   76.451  314.683   51.685 32.04678 92.28260 
1 1 1   30    5   17 o  360.656   34.462   3.4287   0.6388   3.5414   0.9048   3.3167   0.9019  366.701   47.992  354.611   49.469 12.09006 68.92313 
1 1 1   30    5   19 o  173.989   45.294   0.6600   0.4693   0.6675   0.5308   0.6335   1.0042  162.281   54.199  185.698   72.586 -23.41710 90.58807 
1 1 1   30    5   21 o  395.124   40.108   4.1861   0.7949   4.1431   1.2653   4.2141   1.0218  391.667   62.836  398.581   49.862 -6.914124 80.21569 
1 1 1   30    5   23 o  247.396   45.062   1.8525   0.6099   0.8551   1.0767   2.3238   0.7401  199.048   75.849  295.745   48.675 -96.69641 90.12351 
1 1 1   30    5   25 f  265.845   39.462   1.8343   0.5368   1.0663   0.6940   2.9782   0.8469  197.572   61.630  334.118   49.302 -136.5461 78.92329 
1 1 1   30    5   27 o  245.035   36.792   1.7271   0.4646   2.4375   0.6387   0.9289   0.6770  303.649   40.914  186.421   61.160 117.2273 73.58352 
1 1 1   30    5   29 o  162.032   38.361   0.6748   0.3758   0.5895   0.5100   0.7761   0.5558  153.473   53.086  170.591   55.390 -17.11858 76.72151 
1 1 1   30    5   31 f  187.566   43.842   0.8974   0.4637   1.1405   0.8329   0.7882   0.5582  203.869   67.884  171.262   55.499 32.60658 87.68396 
1 1 1   30    5   33 o  252.654   83.709   1.8974   1.2671   0.0000   0.0000   1.8974   1.2671  ?   ?   252.654   83.709      ?      ? 
1 1 1   30    5   35 o  227.435   43.052   1.5542   0.5149   1.7667   0.6470   1.1873   0.8501  249.872   52.054  204.999   68.588 44.87299 86.10385 
1 1 1   30    5   37 o  234.201   48.938   1.6452   0.6304   1.5445   0.8748   1.7539   0.9093  227.281   68.892  241.120   69.525 -13.83958 97.87652 
1 1 1   30    5   39 o  176.660   44.508   0.4848   0.4222   0.2324   0.4649   1.6714   1.0081  120.995   48.703  232.324   74.510 -111.3297 89.01554 
1 1 1   30    5   41 o  310.822   47.810   2.8156   0.6849   2.5718   0.8078   3.4388   1.2913  296.487   55.022  325.158   78.203 -28.67148 95.61976 
1 1 1   30    5   43 o  174.723   41.448   0.9106   0.4323   1.0013   0.5200   0.7075   0.7782  183.459   52.481  165.987   64.169 17.47215 82.89642 
1 1 1   30    6    0 o  729.114   53.065   14.017   1.9650   14.017   1.9650   0.0000   0.0000  729.114   53.065  729.114   53.065 0.000000 0.000000 
1 1 1   30    6    2 o  436.385   37.595   4.9927   0.8431   5.0893   1.2134   4.9026   1.1724  440.391   53.592  432.379   52.740 8.011963 75.19050 
1 1 1   30    6    4 o  701.079   36.665   13.115   1.2969   10.934   1.9082   14.987   1.7680  644.346   57.602  757.812   45.379 -113.4665 73.32992 
1 1 1   30    6    6 o  542.467   46.130   7.7309   1.2699   8.2894   1.9867   7.3451   1.6514  557.780   69.277  527.154   60.930 30.62604 92.25986 
1 1 1   30    6    8 o  305.212   49.487   2.6330   0.7574   2.1900   1.1614   2.9607   0.9991  280.764   77.782  329.660   61.204 -48.89548 98.97453 
1 1 1   30    6   10 o  202.059   43.654   1.1021   0.5177   0.6112   0.8055   1.4476   0.6758  174.361   65.804  229.757   57.380 -55.39642 87.30792 
1 1 1   30    6   12 o  288.793   44.126   2.2835   0.6171   2.3310   1.0241   2.2564   0.7732  289.432   69.660  288.154   54.183 1.278717 88.25144 
1 1 1   30    6   14 o  592.337   34.470   9.2287   1.0404   10.881   1.5007   7.7000   1.4436  644.302   45.305  540.372   51.963 103.9304 68.93977 
1 1 1   30    6   16 o  393.458   39.190   4.2570   0.7280   5.9945   1.0492   2.6435   1.0111  478.412   42.656  308.504   65.755 169.9079 78.37954 
1 1 1   30    6   18 o  250.824   40.523   1.7382   0.5116   1.8940   0.7321   1.5894   0.7152  262.187   56.009  239.460   58.579 22.72704 81.04598 
1 1 1   30    6   20 o  137.539   35.210   0.4202   0.3219   0.4979   0.4514   0.3398   0.4592  143.743   49.934  131.335   49.655 12.40808 70.42090 
1 1 1   30    6   22 o  354.918   51.424   3.3551   0.9383   0.0000   0.0000   3.3551   0.9383  ?   ?   354.918   51.424      ?      ? 
1 1 1   30    6   24 o  456.989   38.641   5.4628   0.8845   4.9967   1.1130   6.2619   1.4574  432.819   50.015  481.158   58.915 -48.33902 77.28238 
1 1 1   30    6   26 o  205.714   37.950   1.1739   0.4112   1.4599   0.5910   0.9056   0.5723  229.180   51.424  182.248   55.825 46.93219 75.90087 
1 1 1   30    6   28 o  144.855   35.491   0.5144   0.3198   0.5574   0.4894   0.4823   0.4225  149.897   51.995  139.814   48.321 10.08345 70.98142 
1 1 1   30    6   30 o  159.646   36.544   0.6465   0.3522   0.4042   0.4821   0.9238   0.5157  136.915   51.063  182.378   52.293 -45.46260 73.08834 
1 1 1   30    6   32 o  465.604   34.222   5.8930   0.8119   6.4074   1.1144   5.3109   1.1855  489.210   44.306  441.999   52.167 47.21078 68.44305 
1 1 1   30    6   34 o  242.512   60.550   1.7020   0.7526   0.0000   0.0000   1.7020   0.7526  ?   ?   242.512   60.550      ?      ? 
1 1 1   30    6   36 o  168.382   47.462   0.5402   0.5614   0.4938   0.6547   0.6690   1.0913  152.601   58.895  184.163   74.444 -31.56242 94.92359 
1 1 1   30    6   38 o  352.423   48.911   3.4275   0.8862   3.4275   0.8862   0.0000   0.0000  352.423   48.911  ?   ?       ?      ? 
1 1 1   30    6   40 o  142.495   49.320   0.5345   0.4402   0.5345   0.4402   0.0000   0.0000  142.495   49.320  ?   ?       ?      ? 
1 1 1   30    6   42 o  215.794   45.643   1.5090   0.5320   1.6535   0.6133   1.0701   1.0690  237.158   51.757  194.430   75.197 42.72835 91.28693 
1 1 1   30    7    1 o  710.156   37.036   13.217   1.3516   13.785   1.9385   12.680   1.8855  725.087   51.999  695.224   52.750 29.86218 74.07104 
1 1 1   30    7    3 o  544.068   36.170   7.7818   1.0079   7.4118   1.4682   8.1114   1.3860  531.257   53.755  556.879   48.408 -25.62183 72.33939 
1 1 1   30    7    5 o  348.427   44.290   2.9683   0.7103   4.0529   1.3683   2.5683   0.8310  383.946   71.959  312.908   51.655 71.03821 88.57949 
1 1 1   30    7    7 o  171.512   42.842   0.6834   0.4625   0.7108   0.7430   0.6661   0.5910  177.073   63.827  165.952   57.165 11.12149 85.68352 
1 1 1   30    7    9 o  702.596   43.853   12.908   1.5693   14.470   2.4302   11.791   2.0552  737.801   64.067  667.391   59.898 70.40973 87.70563 
1 1 1   30    7   11 o  491.845   41.760   6.4558   0.9873   6.2698   1.7185   6.5475   1.2062  483.822   69.086  499.868   46.934 -16.04623 83.52027 
1 1 1   30    7   13 o  280.720   38.532   2.1224   0.5410   2.8754   0.7913   1.4615   0.7414  331.105   46.487  230.336   61.465 100.7692 77.06420 
1 1 1   30    7   15 o  269.892   38.208   1.9878   0.5113   2.0797   0.7421   1.9048   0.7053  275.898   54.254  263.885   53.812 12.01309 76.41505 
1 1 1   30    7   17 o  456.414   34.542   5.5041   0.8048   6.3464   1.1530   4.7039   1.1239  491.259   45.650  421.569   51.853 69.68985 69.08466 
1 1 1   30    7   19 o  257.558   39.526   1.8323   0.5083   1.8176   0.7143   1.8474   0.7236  256.527   55.752  258.589   56.043 -2.061859 79.05123 
1 1 1   30    7   21 o  360.552   59.397   3.6411   1.0711   2.9289   1.3803   4.7190   1.6981  317.405   83.470  403.699   84.527 -86.29477 118.7940 
1 1 1   30    7   23 o  499.448   44.459   6.8646   1.1178   5.3733   1.5876   8.3308   1.5742  441.743   69.902  557.154   54.955 -115.4109 88.91782 
1 1 1   30    7   25 o  180.606   37.256   0.8862   0.3860   1.2307   0.5349   0.5120   0.5575  210.606   50.123  150.607   55.134 59.99930 74.51201 
1 1 1   30    7   27 o  258.348   37.227   1.8550   0.4775   1.8352   0.6654   1.8760   0.6857  257.058   52.133  259.638   53.156 -2.580719 74.45391 
1 1 1   30    7   29 o  314.603   49.113   3.4060   0.7605   4.2008   0.8954   1.3492   1.4405  397.178   43.849  232.029   87.895 165.1493 98.22592 
1 1 1   30    7   31 o  254.859   38.220   1.8340   0.4936   2.1764   0.6771   1.4457   0.7210  284.841   46.235  224.876   60.873 59.96492 76.44090 
1 1 1   30    7   33 o  384.369   54.339   4.8636   0.9035   5.3807   1.0471   3.3574   1.7872  447.138   45.549  321.600   98.671 125.5388 108.6775 
1 1 1   30    7   35 o  344.100   86.712   3.7473   1.5334   0.0000   0.0000   3.7473   1.5334  ?   ?   344.100   86.712      ?      ? 
1 1 1   30    7   37 o  531.156   67.476   8.2141   1.8427   8.2141   1.8427   0.0000   0.0000  531.156   67.476  ?   ?       ?      ? 
1 1 1   30    7   39 o  244.019   70.334   1.8440   0.9307   1.8440   0.9307   0.0000   0.0000  244.019   70.334  ?   ?       ?      ? 
1 1 1   30    7   41 o  205.090   52.976   1.2411   0.5625   1.2411   0.5625   0.0000   0.0000  205.090   52.976  ?   ?       ?      ? 
1 1 1   30    7   43 o  183.266   41.341   1.1127   0.4603   1.3504   0.5071   0.0000   1.0971  215.143   47.145  151.388   67.925 63.75435 82.68230 
1 1 1   30    8    0 o  223.453   74.152   1.6669   0.7580   0.0000   0.0000   1.6669   0.7580  223.453   74.152  223.453   74.152 -0.000000 0.000000 
1 1 1   30    8    2 o  636.263   45.910   10.058   1.4136   8.8619   1.6928   12.814   2.5695  580.077   56.760  692.449   72.175 -112.3726 91.81988 
1 1 1   30    8    4 o  466.360   56.721   6.8315   1.1548   8.2034   1.4066   3.9948   2.0226  559.753   48.877  372.966  102.372 186.7867 113.4411 
1 1 1   30    8    6 o  814.131   53.260   17.888   2.2159   18.783   3.0277   16.855   3.2518  838.471   70.236  789.790   80.084 48.68109 106.5198 
1 1 1   30    8    8 o  300.900   49.303   2.5267   0.7352   2.4030   1.1775   2.6058   0.9412  293.265   77.082  308.536   61.494 -15.27100 98.60572 
1 1 1   30    8   10 o  367.083   46.380   3.5387   0.8441   4.6872   1.3164   2.7368   1.1000  420.243   60.927  313.922   69.945 106.3216 92.76008 
1 1 1   30    8   12 o  375.505   35.438   3.6980   0.6807   4.2428   0.9907   3.2108   0.9368  401.991   47.935  349.020   52.208 52.97119 70.87607 
1 1 1   30    8   14 o  319.284   38.631   2.7112   0.6076   3.6301   0.9096   1.9705   0.8166  371.604   47.609  266.965   60.849 104.6393 77.26125 
1 1 1   30    8   16 o  518.848   34.383   7.0909   0.9157   7.6659   1.3149   6.5496   1.2759  539.573   47.399  498.124   49.819 41.44928 68.76537 
1 1 1   30    8   18 o  283.851   38.203   2.1855   0.5435   2.5999   0.7783   1.7910   0.7594  313.750   48.247  253.953   59.246 59.79680 76.40634 
1 1 1   30    8   20 o  181.131   42.006   0.7314   0.4544   1.3199   0.7545   0.3965   0.5692  218.349   63.440  143.914   55.075 74.43466 84.01139 
1 1 1   30    8   22 o  147.392   52.461   0.5104   0.5004   0.5104   0.5004   0.0000   0.0000  147.392   52.461  ?   ?       ?      ? 
1 1 1   30    8   24 o  390.131   43.426   3.8899   0.8051   6.4880   1.3272   2.3771   1.0128  491.993   52.471  288.269   69.210 203.7240 86.85154 
1 1 1   30    8   26 o  683.808   32.610   12.431   1.1447   12.094   1.5680   12.815   1.6749  674.356   45.225  693.260   46.993 -18.90338 65.21949 
1 1 1   30    8   28 o  225.561   38.448   1.4272   0.4410   1.5433   0.6335   1.3180   0.6143  234.642   53.675  216.480   55.062 18.16194 76.89515 
1 1 1   30    8   30 o  484.234   45.438   6.4557   0.9844   6.3939   1.1424   6.6337   1.9403  488.883   45.450  479.586   78.694 9.296631 90.87597 
1 1 1   30    8   32 o  293.064   52.401   2.6439   0.7109   2.7843   0.7977   2.1020   1.5676  321.067   48.324  265.060   92.996 56.00674 104.8019 
1 1 1   30    8   34 o  166.890   46.000   0.5989   0.5244   0.6785   0.6019   0.3481   1.0680  163.114   57.590  170.665   71.746 -7.551605 92.00096 
1 1 1   30    8   36 o  336.583   46.639   3.0877   0.8071   3.0877   0.8071   0.0000   0.0000  336.583   46.639  ?   ?       ?      ? 
1 1 1   30    8   38 o  169.996   47.507   0.5079   0.5785   0.2534   0.6952   1.0803   1.0429  140.440   58.376  199.552   74.966 -59.11218 95.01391 
1 1 1   30    8   40 o  224.704   50.531   1.5175   0.6360   1.3375   0.7926   1.8431   1.0659  209.731   65.937  239.676   76.590 -29.94524 101.0628 
1 1 1   30    8   42 o  145.116   41.959   0.5975   0.3308   0.5975   0.3308   0.0000   0.0000  145.116   41.959  ?   ?       ?      ? 
1 1 1   30    9    1 o  855.904   54.297   19.754   2.3801   21.456   3.3441   18.007   3.3881  895.357   72.647  816.451   80.715 78.90582 108.5938 
1 1 1   30    9    3 o  192.904   39.115   0.9575   0.4129   1.3394   0.6342   0.6764   0.5440  221.331   55.762  164.477   54.867 56.85394 78.22932 
1 1 1   30    9    5 o  893.204   42.507   20.917   1.7709   21.567   3.3018   20.654   2.0982  897.581   71.549  888.826   45.915 8.754456 85.01501 
1 1 1   30    9    7 o  399.225   78.996   4.4408   1.5640   4.4408   1.5640   0.0000   0.0000  399.225   78.996  ?   ?       ?      ? 
1 1 1   30    9    9 o  248.528   70.925   1.7019   0.9509   1.7019   0.9509   0.0000   0.0000  248.528   70.925  ?   ?       ?      ? 
1 1 1   30    9   11 o  990.669   39.670   25.751   1.9140   26.639   3.3013   25.302   2.3491  999.036   64.274  982.302   46.514 16.73413 79.33910 
1 1 1   30    9   13 o  483.041   38.931   6.1374   0.9594   5.8681   1.2694   6.4963   1.4653  471.432   52.372  494.650   57.617 -23.21756 77.86236 
1 1 1   30    9   15 o  480.679   35.188   6.1026   0.8682   5.9631   1.2547   6.2306   1.2026  474.998   51.378  486.360   48.095 -11.36224 70.37621 
1 1 1   30    9   17 o  295.598   47.531   2.6269   0.6818   1.7580   1.2351   3.0078   0.8177  253.436   82.581  337.760   47.087 -84.32426 95.06226 
1 1 1   30    9   19 f  313.884   49.888   2.8299   0.7871   2.3173   1.2615   3.1566   1.0072  284.323   81.863  343.446   57.042 -59.12274 99.77632 
1 1 1   30    9   21 o  526.189   34.197   7.4280   0.9140   8.3139   1.2572   6.4348   1.3311  561.394   43.557  490.984   52.731 70.41022 68.39424 
1 1 1   30    9   23 o  252.397   50.898   1.6349   0.5967   1.4946   0.6707   2.1676   1.3071  231.155   56.833  273.639   84.454 -42.48410 101.7963 
1 1 1   30    9   25 o  324.791   44.453   3.0403   0.6937   2.5574   1.1385   3.3254   0.8748  296.601   74.704  352.980   48.205 -56.37915 88.90623 
1 1 1   30    9   27 o  442.095   51.282   5.7840   0.9545   6.0263   1.1064   5.0791   1.8871  475.598   45.250  408.591   92.042 67.00723 102.5635 
1 1 1   30    9   29 o  244.394   47.042   1.7696   0.5553   1.8666   0.6313   1.4375   1.1681  259.787   49.061  229.001   80.279 30.78593 94.08328 
1 1 1   30    9   31 o  225.455   44.317   1.0300   0.4797   0.6233   0.5409   2.5291   1.0384  157.073   54.654  293.837   69.777 -136.7642 88.63365 
1 1 1   30    9   33 o  229.137   47.870   1.4995   0.5348   1.5120   0.6001   1.4514   1.1788  231.306   51.756  226.969   80.544 4.337692 95.73929 
1 1 1   30    9   35 o  569.998   65.374   9.2959   1.9158   9.2959   1.9158   0.0000   0.0000  569.998   65.374  ?   ?       ?      ? 
1 1 1   30    9   37 o  206.561   40.787   1.3762   0.4948   1.8029   0.5902   0.3664   0.9079  253.161   47.079  159.961   66.618 93.20023 81.57417 
1 1 1   30    9   39 o  228.611   43.418   1.6495   0.4446   1.7385   0.4805   1.1200   1.1716  254.192   36.771  203.030   78.665 51.16241 86.83508 
1 1 1   30    9   41 o  250.711   53.999   2.0861   0.7490   2.1774   0.9231   1.9103   1.2813  262.997   67.827  238.426   84.043 24.57077 107.9987 
1 1 1   30   10    0 o  648.260   82.189   11.582   2.6193   0.0000   0.0000   11.582   2.6193  648.260   82.189  648.260   82.189 -0.000000 0.000000 
1 1 1   30   10    2 o  521.559   50.111   7.6781   1.1355   6.6582   2.1377   8.0789   1.3402  487.439   88.564  555.680   46.912 -68.24094 100.2215 
1 1 1   30   10    4 o  231.542   46.588   1.4335   0.5342   1.4537   1.0499   1.4264   0.6205  234.659   76.121  228.424   53.734 6.235184 93.17550 
1 1 1   30   10    6 o  364.969   41.949   3.0849   0.7125   4.9895   1.3786   2.3907   0.8323  433.593   61.842  296.344   56.695 137.2497 83.89763 
1 1 1   30   10    8 o  382.152   47.719   3.7554   0.8958   4.9517   1.4905   3.0788   1.1209  430.362   67.364  333.942   67.606 96.42017 95.43820 
1 1 1   30   10   10 o  375.557   46.169   3.7206   0.8618   4.6834   1.3437   3.0479   1.1232  419.347   62.327  331.768   68.131 87.57889 92.33871 
1 1 1   30   10   12 o  553.329   54.404   8.3830   1.5092   8.6031   1.9506   8.0548   2.3822  566.115   67.020  540.544   85.718 25.57043 108.8081 
1 1 1   30   10   14 o  592.931   35.116   9.2751   1.0690   9.2292   1.5506   9.3166   1.4757  591.115   51.023  594.746   48.262 -3.630554 70.23237 
1 1 1   30   10   16 o  770.026   44.875   16.076   1.5896   15.610   2.9760   16.262   1.8804  754.346   76.735  785.707   46.549 -31.36072 89.74986 
1 1 1   30   10   18 o  144.943   35.941   0.4898   0.3367   0.6407   0.4707   0.3318   0.4818  157.289   50.966  132.597   50.689 24.69260 71.88110 
1 1 1   30   10   20 o  176.517   39.351   0.8291   0.3992   0.8742   0.5698   0.7856   0.5595  180.341   55.778  172.693   55.523 7.647461 78.70186 
1 1 1   30   10   22 o  441.049   34.925   5.2210   0.7847   5.6225   1.0704   4.7546   1.1538  460.773   45.186  421.324   53.266 39.44907 69.85041 
1 1 1   30   10   24 o  395.934   48.854   3.8141   0.8189   3.3559   0.9176   5.6069   1.8151  354.148   50.398  437.720   83.708 -83.57169 97.70894 
1 1 1   30   10   26 o  331.002   51.928   3.1934   0.7393   3.2506   0.8332   2.9816   1.6030  349.116   46.420  312.889   92.905 36.22635 103.8564 
1 1 1   30   10   28 o  172.018   41.906   0.7822   0.4292   0.9061   0.4902   0.3751   0.8885  180.727   50.696  163.309   66.741 17.41730 83.81219 
1 1 1   30   10   30 o  377.849   43.827   3.4599   0.7652   2.8974   0.8799   5.2053   1.5501  326.738   52.378  428.961   70.284 -102.2237 87.65447 
1 1 1   30   10   32 o  283.271   43.873   2.9607   0.7094   4.0781   0.8326   0.0000   1.3552  390.820   41.435  175.723   77.347 215.0975 87.74654 
1 1 1   30   10   34 o  197.360   51.773   1.1075   0.5319   1.1075   0.5319   0.0000   0.0000  197.360   51.773  ?   ?       ?      ? 
1 1 1   30   10   36 o  365.339   50.361   4.0839   0.8102   4.2086   0.9454   3.7391   1.5725  392.414   46.860  338.263   89.158 54.15054 100.7226 
1 1 1   30   10   38 o  155.382   38.696   0.6456   0.4068   0.8913   0.4780   0.0000   0.7747  176.344   50.273  134.421   58.840 41.92325 77.39182 
1 1 1   30   10   40 o  160.967   40.258   0.6878   0.3323   0.7266   0.3531   0.3870   0.9829  159.895   42.298  162.038   68.511 -2.143021 80.51651 
1 1 1   30   10   42 o  142.300   37.360   0.4991   0.3058   0.5192   0.3342   0.3958   0.7580  136.293   42.807  148.306   61.242 -12.01289 74.71980 
1 1 1   30   11    1 o  592.120   35.736   9.1740   1.0858   9.7181   1.5967   8.7060   1.4810  608.267   51.058  575.972   50.012 32.29443 71.47168 
1 1 1   30   11    3 o  305.076   39.853   2.5802   0.5958   2.0370   0.9016   3.0011   0.7938  271.427   65.388  338.724   45.579 -67.29675 79.70573 
1 1 1   30   11    5 o  417.787   59.847   4.9390   1.2601   6.5094   1.7808   3.3644   1.7832  492.807   70.285  342.768   96.885 150.0392 119.6946 
1 1 1   30   11    7 o  180.683   43.604   0.7852   0.4530   0.8429   0.8493   0.7622   0.5356  190.317   68.278  171.049   54.251 19.26729 87.20760 
1 1 1   30   11    9 o  195.962   45.674   0.8855   0.4923   1.3183   0.9322   0.7181   0.5797  222.843   71.669  169.082   56.638 53.76112 91.34749 
1 1 1   30   11   11 o  461.780   41.674   5.5895   0.9334   5.9148   1.6313   5.4311   1.1382  469.206   67.623  454.353   48.724 14.85226 83.34856 
1 1 1   30   11   13 o  319.670   88.005   2.9350   1.4921   0.0000   0.0000   2.9350   1.4921  ?   ?   319.670   88.005      ?      ? 
1 1 1   30   11   15 o  132.610   35.846   0.3351   0.3377   0.1501   0.5722   0.4339   0.4183  128.986   53.232  136.234   48.021 -7.247070 71.69178 
1 1 1   30   11   17 o  747.291   39.756   15.303   1.4711   16.797   1.9080   13.114   2.3100  797.845   46.515  696.737   64.488 101.1085 79.51283 
1 1 1   30   11   19 o  353.048   53.028   4.0754   0.8476   4.7097   0.9857   2.2756   1.6603  422.282   45.402  283.814   95.845 138.4682 106.0551 
1 1 1   30   11   21 o  442.644   58.012   6.1752   1.0358   6.6366   1.1768   4.5887   2.1823  500.565   45.726  384.722  106.633 115.8432 116.0234 
1 1 1   30   11   23 o  190.065   48.215   0.8501   0.4836   0.8650   0.5242   0.7649   1.2534  178.046   53.189  202.084   80.435 -24.03844 96.43069 
1 1 1   30   11   25 o  313.183   59.751   2.8125   0.9595   2.4261   1.2056   3.4801   1.5847  287.195   79.124  339.172   89.555 -51.97702 119.5018 
1 1 1   30   11   27 o  303.081   52.620   2.5820   0.6948   2.5550   0.7726   2.6962   1.5880  308.630   48.692  297.531   93.297 11.09940 105.2390 
1 1 1   30   11   29 o  225.690   46.235   1.2754   0.5093   1.0580   0.5868   1.9392   1.0252  194.298   55.800  257.081   73.737 -62.78326 92.47025 
1 1 1   30   11   31 o  240.069   45.550   1.6051   0.4599   1.6160   0.4960   1.5381   1.2279  246.656   39.113  233.483   82.276 13.17267 91.09971 
1 1 1   30   11   33 o  217.153   44.603   1.3119   0.4813   1.3119   0.4813   0.0000   0.0000  217.153   44.603  ?   ?       ?      ? 
1 1 1   30   11   35 o  335.472   46.199   3.3676   0.6153   3.4295   0.6860   3.1125   1.3917  358.469   37.224  312.475   84.568 45.99384 92.39754 
1 1 1   30   11   37 o  357.524   38.826   2.7231   0.5826   2.1795   0.6386   5.4231   1.4231  282.734   43.931  432.314   64.030 -149.5797 77.65131 
1 1 1   30   11   39 o  203.580   41.129   1.0644   0.3792   0.9440   0.4217   1.5741   0.8675  181.638   45.304  225.522   68.659 -43.88454 82.25876 
1 1 1   30   11   41 o  187.725   43.358   1.0357   0.4039   1.0723   0.4345   0.8020   1.0966  192.921   44.683  182.530   74.318 10.39105 86.71667 
1 1 1   30   12    0 o  385.656   54.124   4.0862   1.0125   4.0862   1.0125   0.0000   0.0000  385.656   54.124  385.656   54.124 0.000000 0.000000 
1 1 1   30   12    2 o  323.867   40.913   2.8096   0.6670   2.6373   0.9207   2.9999   0.9676  310.669   59.815  337.064   55.837 -26.39474 81.82645 
1 1 1   30   12    4 o  319.362   42.885   2.9100   0.6774   4.3378   0.9513   1.4411   0.9648  407.075   45.453  231.650   72.736 175.4247 85.77005 
1 1 1   30   12    6 o  172.967   53.282   0.7905   0.5206   0.0000   0.0000   0.7905   0.5206  ?   ?   172.967   53.282      ?      ? 
1 1 1   30   12    8 o  457.329   57.099   5.5427   1.3425   0.0000   0.0000   5.5427   1.3425  ?   ?   457.329   57.099      ?      ? 
1 1 1   30   12   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   12   12 o  475.784   58.091   6.0264   1.4210   0.0000   0.0000   6.0264   1.4210  ?   ?   475.784   58.091      ?      ? 
1 1 1   30   12   14 o  790.758   51.074   16.547   2.0764   16.547   2.0764   0.0000   0.0000  790.758   51.074  ?   ?       ?      ? 
1 1 1   30   12   16 o  411.597   53.341   4.7536   0.9650   4.7845   1.1243   4.6671   1.8812  424.629   51.497  398.565   93.428 26.06378 106.6811 
1 1 1   30   12   18 o  547.181   59.169   9.4716   1.3012   10.473   1.5124   6.6184   2.5528  629.305   46.744  465.057  108.715 164.2486 118.3386 
1 1 1   30   12   20 o  186.471   48.571   0.6449   0.4361   0.5742   0.4643   1.1741   1.2698  150.751   50.687  222.190   82.869 -71.43935 97.14124 
1 1 1   30   12   22 o  250.070   51.106   1.8728   0.6139   2.0128   0.6725   1.1731   1.5035  270.708   50.170  229.431   89.053 41.27686 102.2129 
1 1 1   30   12   24 o  160.222   40.613   0.6413   0.3527   0.7274   0.3756   0.0000   1.0251  162.826   43.877  157.619   68.357 5.207230 81.22666 
1 1 1   30   12   26 o  345.167   51.383   2.9217   0.7222   2.6198   0.7953   4.3419   1.7248  312.404   49.514  377.930   90.050 -65.52563 102.7651 
1 1 1   30   12   28 o  633.787   44.165   10.330   1.2391   9.6199   1.4103   12.735   2.5946  599.706   45.741  667.869   75.564 -68.16278 88.33006 
1 1 1   30   12   30 o  268.038   46.838   2.4640   0.6390   2.9157   0.7206   0.8020   1.3822  330.552   42.400  205.524   83.532 125.0282 93.67641 
1 1 1   30   12   32 o  283.639   39.122   2.1427   0.5705   2.1427   0.5705   0.0000   0.0000  283.639   39.122  ?   ?       ?      ? 
1 1 1   30   12   34 o  270.955   42.860   1.7758   0.4650   1.5737   0.5088   2.8016   1.1462  238.448   43.086  303.462   74.105 -65.01410 85.72044 
1 1 1   30   12   36 o  313.674   45.537   2.3526   0.6355   1.7336   0.7240   4.4303   1.3264  243.058   58.619  384.291   69.701 -141.2331 91.07330 
1 1 1   30   12   38 o  199.365   42.327   1.2299   0.4490   1.3551   0.5105   0.8024   0.9432  217.899   46.955  180.830   70.438 37.06900 84.65402 
1 1 1   30   12   40 o  230.995   42.825   1.4171   0.4305   1.2724   0.4780   2.0382   0.9903  210.554   45.487  251.435   72.573 -40.88081 85.64943 
1 1 1   30   13    1 o  532.186   42.853   7.3967   1.1622   8.5520   1.7931   6.5598   1.5261  567.169   61.492  497.203   59.702 69.96622 85.70651 
1 1 1   30   13    3 o  215.665   69.951   1.2234   0.8866   1.2234   0.8866   0.0000   0.0000  215.665   69.951  ?   ?       ?      ? 
1 1 1   30   13    5 o  714.543   80.234   13.915   2.9475   0.0000   0.0000   13.915   2.9475  ?   ?   714.543   80.234      ?      ? 
1 1 1   30   13    7 f  276.574   82.243   2.1370   1.2555   0.0000   0.0000   2.1370   1.2555  ?   ?   276.574   82.243      ?      ? 
1 1 1   30   13    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   13   11 o  323.749   76.158   2.9643   1.2464   2.9643   1.2464   0.0000   0.0000  323.749   76.158  ?   ?       ?      ? 
1 1 1   30   13   13 o  513.582   52.281   7.2397   1.1888   7.1986   1.3951   7.3486   2.2721  521.250   52.056  505.914   90.684 15.33600 104.5629 
1 1 1   30   13   15 o  402.811   50.876   4.2273   0.9280   3.8873   1.0833   5.1642   1.7983  381.886   55.178  423.736   85.493 -41.84976 101.7528 
1 1 1   30   13   17 o  256.814   47.378   1.5442   0.5000   1.3825   0.5447   2.4095   1.2600  224.394   48.619  289.233   81.332 -64.83949 94.75555 
1 1 1   30   13   19 o  209.867   44.105   1.1325   0.4039   1.1207   0.4358   1.2040   1.0745  202.496   43.181  217.238   76.918 -14.74162 88.20998 
1 1 1   30   13   21 o  571.161   53.894   9.6593   1.0456   9.8741   1.1371   8.4830   2.6606  613.688   36.039  528.633  101.584 85.05475 107.7873 
1 1 1   30   13   23 o  155.082   44.500   0.3681   0.3094   0.3658   0.3191   0.4041   1.2653  122.380   42.010  187.783   78.462 -65.40314 89.00069 
1 1 1   30   13   25 f  196.329   46.213   1.0395   0.4260   1.1081   0.4486   0.4084   1.3605  200.394   44.681  192.264   80.909 8.129898 92.42661 
1 1 1   30   13   27 o  244.644   51.766   1.3672   0.5467   1.1755   0.5932   2.4471   1.4080  204.447   55.163  284.840   87.612 -80.39249 103.5313 
1 1 1   30   13   29 o  475.609   42.617   5.1685   0.8925   4.2912   0.9991   8.6346   1.9860  398.906   48.716  552.312   69.941 -153.4053 85.23482 
1 1 1   30   13   31 o  298.876   39.535   2.3783   0.6075   2.3783   0.6075   0.0000   0.0000  298.876   39.535  ?   ?       ?      ? 
1 1 1   30   13   33 o  210.671   41.397   1.4270   0.4275   1.5922   0.4609   0.4111   1.1433  244.694   36.640  176.648   74.245 68.04567 82.79405 
1 1 1   30   13   35 o  194.915   42.700   0.8107   0.3516   0.6825   0.3774   1.6533   0.9676  156.292   44.712  233.537   72.761 -77.24547 85.40085 
1 1 1   30   13   37 o  289.460   40.473   1.7364   0.5517   0.8776   0.6293   4.5860   1.1464  176.464   59.012  402.455   55.407 -225.9903 80.94669 
1 1 1   30   13   39 o  360.134   47.500   4.0412   0.6858   4.1216   0.7718   3.7392   1.4952  389.582   38.533  330.686   86.835 58.89584 95.00096 
1 1 1   30   13   41 o  208.695   43.641   1.3266   0.4411   1.3405   0.4895   1.2668   1.0173  215.314   45.635  202.076   74.402 13.23799 87.28185 
1 1 1   30   14    0 o  123.507   75.752   0.3511   0.9250   0.3511   0.9250   0.0000   0.0000  123.507   75.752  123.507   75.752 0.000000 0.000000 
1 1 1   30   14    2 o  909.388   41.082   20.182   1.5382   19.091   1.7024   25.031   3.5888  855.722   38.696  963.054   72.482 -107.3320 82.16447 
1 1 1   30   14    4 o  160.358   40.055   0.5866   0.3031   0.6117   0.3200   0.3674   0.9460  150.516   40.476  170.200   69.133 -19.68428 80.11037 
1 1 1   30   14    6 o  765.496   42.814   14.413   1.4960   13.142   1.7219   18.325   3.0215  707.198   47.357  823.794   71.341 -116.5954 85.62880 
1 1 1   30   14    8 o  193.346   67.807   0.9125   0.8334   0.9125   0.8334   0.0000   0.0000  193.346   67.807  ?   ?       ?      ? 
1 1 1   30   14   10 o  336.593   50.538   2.7976   0.7110   2.5685   0.7908   3.7644   1.6245  312.033   49.294  361.153   88.242 -49.11960 101.0764 
1 1 1   30   14   12 o  575.816   42.518   7.7245   1.0819   6.7665   1.2181   11.305   2.3549  506.771   46.753  644.862   71.030 -138.0911 85.03593 
1 1 1   30   14   14 o  669.110   50.259   13.053   1.2631   13.534   1.3962   10.884   2.9640  719.388   37.751  618.832   93.160 100.5556 100.5187 
1 1 1   30   14   16 o  347.473   52.271   3.9084   0.7256   4.2286   0.8020   2.4633   1.7037  401.651   38.839  293.296   97.060 108.3548 104.5421 
1 1 1   30   14   18 o  175.435   45.515   0.6485   0.4503   0.6060   0.5007   0.8287   1.0300  155.267   52.633  195.603   74.270 -40.33594 91.02910 
1 1 1   30   14   20 o  381.440   48.637   4.0243   0.6946   4.0016   0.7616   4.1369   1.6945  390.297   37.952  372.583   89.565 17.71365 97.27406 
1 1 1   30   14   22 o  425.993   43.524   3.7065   0.6877   3.2443   0.7332   7.0904   1.9840  350.541   40.683  501.445   76.956 -150.9036 87.04747 
1 1 1   30   14   24 o  561.720   45.247   7.8450   0.9364   7.4929   1.0095   10.017   2.5072  533.584   36.799  589.855   82.674 -56.27051 90.49426 
1 1 1   30   14   26 o  287.788   50.659   2.4375   0.5711   2.4863   0.6122   2.1098   1.5860  306.695   38.823  268.882   93.584 37.81299 101.3170 
1 1 1   30   14   28 o  469.660   56.881   6.0252   1.2853   5.1189   1.5519   8.0043   2.2933  418.718   74.836  520.603   85.682 -101.8853 113.7620 
1 1 1   30   14   30 f  249.154   39.868   1.6523   0.5107   1.6523   0.5107   0.0000   0.0000  249.154   39.868  ?   ?       ?      ? 
1 1 1   30   14   32 o  319.142   50.586   3.2302   0.6220   3.3469   0.6748   2.5715   1.6031  354.837   36.991  283.448   94.167 71.38925 101.1718 
1 1 1   30   14   34 o  347.189   49.411   3.6650   0.6564   3.7202   0.7215   3.4002   1.5813  373.085   37.613  321.292   91.385 51.79205 98.82245 
1 1 1   30   14   36 o  308.012   47.466   2.9696   0.5960   3.0621   0.6607   2.5654   1.3813  337.432   38.084  278.591   86.957 58.84116 94.93147 
1 1 1   30   14   38 o  200.432   45.901   1.1284   0.4731   1.0851   0.5312   1.2945   1.0404  192.654   52.290  208.211   75.455 -15.55766 91.80190 
1 1 1   30   14   40 o  160.276   38.626   0.7325   0.3431   0.7959   0.3774   0.4302   0.8240  166.362   43.594  154.190   63.777 12.17247 77.25206 
1 1 1   30   15    1 o  355.521   61.613   3.6229   1.1212   3.1980   1.5848   4.0488   1.5865  333.642   90.220  377.401   83.934 -43.75839 123.2263 
1 1 1   30   15    3 f  1229.25   40.105   35.707   2.0655   32.863   2.2893   48.159   4.7900  1121.86   39.691  1336.65   69.702 -214.7859 80.21057 
1 1 1   30   15    5 o  402.693   44.315   3.9290   0.8186   3.4904   0.9418   5.2852   1.6559  363.802   50.350  441.585   72.939 -77.78320 88.62997 
1 1 1   30   15    7 o  280.099   48.507   2.2299   0.6305   2.3352   0.7199   1.8834   1.3057  297.950   46.999  262.249   84.870 35.70071 97.01427 
1 1 1   30   15    9 o  747.107   44.585   14.662   1.7126   14.662   1.7126   0.0000   0.0000  747.107   44.585  ?   ?       ?      ? 
1 1 1   30   15   11 o  682.461   47.539   12.396   1.3830   12.235   1.5663   12.963   2.9466  682.078   44.665  682.843   83.933 -0.7653809 95.07784 
1 1 1   30   15   13 o  181.470   43.569   0.8881   0.4520   1.0576   0.4933   0.0000   1.1293  196.197   49.039  166.744   72.029 29.45300 87.13798 
1 1 1   30   15   15 o  870.259   37.977   19.836   1.6992   19.836   1.6992   0.0000   0.0000  870.259   37.977  ?   ?       ?      ? 
1 1 1   30   15   17 o  291.290   45.004   1.9772   0.5820   1.5602   0.6623   3.3895   1.2189  236.835   55.384  345.745   70.951 -108.9101 90.00844 
1 1 1   30   15   19 o  253.896   46.605   2.1531   0.6794   2.7590   0.7691   0.0000   1.4499  322.401   46.400  185.390   80.840 137.0118 93.20947 
1 1 1   30   15   21 o  230.217   49.975   1.2354   0.4230   1.1942   0.4411   1.7057   1.4917  208.958   42.506  251.477   90.462 -42.51920 99.95026 
1 1 1   30   15   23 o  259.087   47.674   1.6916   0.4753   1.6310   0.5070   2.1300   1.3642  248.510   39.684  269.664   86.697 -21.15381 95.34780 
1 1 1   30   15   25 o  152.999   41.100   0.5134   0.3155   0.5590   0.3292   0.0000   1.1048  143.635   41.951  162.363   70.689 -18.72888 82.19994 
1 1 1   30   15   27 o  244.906   55.864   1.7137   0.7634   1.7004   0.9161   1.7438   1.3809  242.057   69.781  247.755   87.257 -5.698608 111.7282 
1 1 1   30   15   29 o  184.974   54.530   0.9572   0.5539   0.9572   0.5539   0.0000   0.0000  184.974   54.530  ?   ?       ?      ? 
1 1 1   30   15   31 o  252.780   46.311   2.0055   0.5132   2.1271   0.5566   1.3162   1.3251  282.673   38.298  222.886   84.333 59.78706 92.62189 
1 1 1   30   15   33 o  289.605   48.573   2.5817   0.5510   2.6425   0.5949   2.2153   1.4617  314.877   36.749  264.333   89.927 50.54449 97.14579 
1 1 1   30   15   35 o  286.868   48.620   2.5764   0.5588   2.6419   0.6051   2.1971   1.4562  313.859   37.502  259.878   89.717 53.98126 97.23981 
1 1 1   30   15   37 o  128.602   37.455   0.2141   0.2850   0.1807   0.3051   0.4423   0.7980  101.578   39.921  155.626   63.385 -54.04872 74.90920 
1 1 1   30   15   39 o  311.395   45.015   2.6149   0.5767   2.3919   0.6403   3.5727   1.3270  294.583   42.277  328.207   79.486 -33.62439 90.02976 
1 1 1   30   16    0 o  145.193   82.858   0.7405   0.9709   0.0000   0.0000   0.7405   0.9709  145.193   82.858  145.193   82.858 -0.000000 0.000000 
1 1 1   30   16    2 o  282.985   58.331   2.1935   0.9293   1.4397   1.2714   3.0580   1.3615  238.284   83.743  327.687   81.224 -89.40329 116.6628 
1 1 1   30   16    4 o  377.063   49.582   3.6883   0.7036   3.5781   0.7677   4.2679   1.7600  369.903   40.366  384.223   90.576 -14.32019 99.16322 
1 1 1   30   16    6 o  247.061   47.125   1.4173   0.5239   1.1837   0.5874   2.3255   1.1582  207.500   54.397  286.623   76.968 -79.12256 94.25063 
1 1 1   30   16    8 o  704.324   45.474   13.049   1.6466   13.049   1.6466   0.0000   0.0000  704.324   45.474  ?   ?       ?      ? 
1 1 1   30   16   10 o  441.579   45.802   5.1364   1.0398   5.1364   1.0398   0.0000   0.0000  441.579   45.802  ?   ?       ?      ? 
1 1 1   30   16   12 o  178.604   42.846   0.8600   0.4412   1.0310   0.4831   0.0000   1.0834  193.736   48.590  163.472   70.584 30.26390 85.69160 
1 1 1   30   16   14 o  499.877   45.131   6.2645   0.9010   5.9815   0.9905   7.6213   2.1687  477.271   40.366  522.483   80.734 -45.21231 90.26286 
1 1 1   30   16   16 o  455.854   59.644   7.4239   0.9602   8.1396   1.0531   3.8922   2.3392  557.421   36.745  354.286  113.488 203.1348 119.2884 
1 1 1   30   16   18 o  511.173   48.359   6.8427   1.0636   6.5599   1.2020   7.8628   2.2827  496.914   47.051  525.432   84.502 -28.51758 96.71807 
1 1 1   30   16   20 o  205.791   45.182   1.0137   0.3902   0.9739   0.4156   1.3100   1.1345  188.145   43.786  223.437   79.047 -35.29280 90.36399 
1 1 1   30   16   22 o  317.122   52.174   2.5068   0.6539   2.3256   0.7101   3.5174   1.6767  295.241   46.784  339.003   93.273 -43.76230 104.3481 
1 1 1   30   16   24 o  243.175   46.679   1.3664   0.4313   1.2561   0.4590   2.1993   1.2612  213.864   43.228  272.487   82.747 -58.62271 93.35796 
1 1 1   30   16   26 o  334.855   99.067   3.5590   1.8252   0.0000   0.0000   3.5590   1.8252  ?   ?   334.855   99.067      ?      ? 
1 1 1   30   16   28 o  339.070   45.769   3.0881   0.7979   3.0881   0.7979   0.0000   0.0000  339.070   45.769  ?   ?       ?      ? 
1 1 1   30   16   30 o  447.380   56.740   6.9899   0.8857   7.4967   0.9714   4.4918   2.1568  532.134   35.505  362.626  107.783 169.5083 113.4805 
1 1 1   30   16   32 o  141.316   37.176   0.4771   0.2941   0.5407   0.3131   0.0000   0.8572  140.348   40.890  142.285   62.098 -1.937195 74.35168 
1 1 1   30   16   34 o  190.243   39.341   1.1592   0.3883   1.3201   0.4144   0.0000   1.1120  222.288   36.261  158.199   69.829 64.08916 78.68248 
1 1 1   30   16   36 o  161.214   39.639   0.3970   0.2855   0.2714   0.3035   1.3629   0.8418  109.984   40.615  212.444   68.083 -102.4598 79.27734 
1 1 1   30   16   38 o  192.748   45.331   0.9296   0.5601   0.3250   0.7241   1.8299   0.8836  144.220   59.732  241.277   68.204 -97.05649 90.66242 
1 1 1   30   16   40 f  211.482   45.279   1.2254   0.4683   1.0441   0.5321   1.8488   0.9866  186.836   52.964  236.128   73.455 -49.29245 90.55831 
1 1 1   30   17    1 o  304.971   61.126   2.6642   1.0080   2.9959   1.4179   2.3253   1.4333  323.102   84.424  286.839   88.421 36.26306 122.2525 
1 1 1   30   17    3 o  351.538   62.598   3.5995   1.1348   3.9757   1.5527   3.1683   1.6626  372.919   83.109  330.158   93.633 42.76096 125.1969 
1 1 1   30   17    5 o  150.291   39.849   0.4980   0.3452   0.5763   0.3713   0.0000   0.9361  147.591   44.917  152.991   65.835 -5.400406 79.69868 
1 1 1   30   17    7 o  237.985   44.228   1.7978   0.5658   2.1930   0.6407   0.3979   1.2058  288.978   43.125  186.992   77.231 101.9864 88.45580 
1 1 1   30   17    9 o  370.211   80.919   3.9247   1.4972   3.9247   1.4972   0.0000   0.0000  370.211   80.919  ?   ?       ?      ? 
1 1 1   30   17   11 o  251.754   51.409   1.5930   0.5756   1.4952   0.6325   2.0646   1.3891  232.515   53.953  270.992   87.525 -38.47717 102.8176 
1 1 1   30   17   13 o  446.853   42.465   4.1989   0.8371   3.2290   0.9352   8.1107   1.8781  348.116   52.252  545.589   66.954 -197.4725 84.93042 
1 1 1   30   17   15 o  397.050   54.953   4.7870   0.8124   4.9538   0.8903   3.9574   1.9858  434.099   39.892  360.001  102.412 74.09726 109.9067 
1 1 1   30   17   17 o  138.730   36.453   0.4378   0.2949   0.5112   0.3187   0.0000   0.7783  138.371   41.503  139.089   59.940 -0.7173920 72.90633 
1 1 1   30   17   19 o  422.867   59.425   5.3615   1.2236   5.9080   1.5651   4.5022   1.9625  463.502   65.677  382.233   99.055 81.26910 118.8503 
1 1 1   30   17   21 o  349.481   51.869   3.6865   0.6541   3.7751   0.7058   3.1482   1.7403  378.953   36.227  320.009   97.208 58.94464 103.7387 
1 1 1   30   17   23 o  352.659   52.482   3.5242   0.6613   3.5082   0.7107   3.6278   1.8050  364.658   37.910  340.660   97.878 23.99744 104.9634 
1 1 1   30   17   25 o  185.841   47.599   0.9614   0.4568   0.9614   0.4568   0.0000   0.0000  185.841   47.599  ?   ?       ?      ? 
1 1 1   30   17   27 o  417.029   36.342   4.5956   0.7792   4.5956   0.7792   0.0000   0.0000  417.029   36.342  ?   ?       ?      ? 
1 1 1   30   17   29 o  552.156   52.834   8.9513   1.1699   9.0159   1.3248   8.7229   2.4929  579.025   44.503  525.286   95.839 53.73889 105.6680 
1 1 1   30   17   31 o  283.243   46.206   2.3106   0.5180   2.3090   0.5641   2.3188   1.3079  294.447   37.266  272.039   84.565 22.40787 92.41240 
1 1 1   30   17   33 o  384.418   45.273   3.7943   0.6538   3.5431   0.7119   5.1483   1.6527  363.650   38.079  405.185   82.150 -41.53519 90.54591 
1 1 1   30   17   35 o  256.209   49.970   1.5552   0.4793   1.3968   0.5080   2.8400   1.4466  221.995   46.018  290.424   88.715 -68.42912 99.94048 
1 1 1   30   17   37 o  268.498   45.896   2.3149   0.5289   2.4073   0.5822   1.8788   1.2651  298.039   37.996  238.957   83.558 59.08261 91.79162 
1 1 1   30   17   39 o  237.161   50.961   1.5832   0.6698   0.9722   0.8167   2.8394   1.1710  182.959   66.767  291.363   77.007 -108.4045 101.9212 
1 1 1   30   18    0 o  296.364  106.788   3.1159   1.4905   3.1159   1.4905   0.0000   0.0000  296.364  106.788  296.364  106.788 0.000000 0.000000 
1 1 1   30   18    2 o  318.893   60.771   2.9358   1.0220   2.6541   1.4480   3.2155   1.4428  303.691   87.783  334.096   84.065 -30.40448 121.5429 
1 1 1   30   18    4 o  948.849   56.465   24.932   2.7458   26.043   3.8020   23.721   3.9698  974.171   75.912  923.526   83.609 50.64514 112.9296 
1 1 1   30   18    6 o  602.589   47.285   9.8354   1.2546   9.8405   1.4459   9.8201   2.5237  610.986   46.028  594.192   82.613 16.79333 94.56969 
1 1 1   30   18    8 o  347.101   47.425   2.9885   0.7278   2.6521   0.8316   4.0882   1.5038  316.098   51.174  378.104   79.861 -62.00552 94.84978 
1 1 1   30   18   10 o  281.396   81.601   2.2714   1.2494   2.2714   1.2494   0.0000   0.0000  281.396   81.601  ?   ?       ?      ? 
1 1 1   30   18   12 f  382.453   55.566   4.2868   0.8619   4.3890   0.9615   3.8690   1.9443  407.397   45.907  357.510  101.206 49.88702 111.1315 
1 1 1   30   18   14 o  489.320   47.111   6.0273   0.9827   5.6406   1.1007   7.5454   2.1809  461.329   46.409  517.312   82.001 -55.98285 94.22272 
1 1 1   30   18   16 o  321.525   46.500   2.7034   0.5890   2.6043   0.6470   3.1830   1.4234  314.468   40.016  328.581   83.950 -14.11270 92.99959 
1 1 1   30   18   18 o  203.980   47.329   0.9355   0.4136   0.8786   0.4393   1.3795   1.2262  178.474   47.165  229.485   82.072 -51.01070 94.65900 
1 1 1   30   18   20 o  361.414   54.079   4.3668   0.7378   4.6644   0.8033   2.7619   1.8653  421.003   37.112  301.826  101.593 119.1772 108.1588 
1 1 1   30   18   22 o  226.138   47.834   1.5018   0.5137   1.5998   0.5558   0.9265   1.3467  241.069   46.527  211.208   83.593 29.86150 95.66889 
1 1 1   30   18   24 o  352.374   43.009   3.3065   0.7792   3.3065   0.7792   0.0000   0.0000  352.374   43.009  ?   ?       ?      ? 
1 1 1   30   18   26 o  373.574   58.396   4.7086   0.7601   4.8964   0.8084   3.2792   2.2302  430.461   36.530  316.687  110.932 113.7740 116.7922 
1 1 1   30   18   28 o  272.677   51.102   2.0697   0.5936   2.0103   0.6496   2.3701   1.4610  268.859   48.794  276.495   89.803 -7.635620 102.2030 
1 1 1   30   18   30 o  285.371   49.399   2.3561   0.5430   2.3540   0.5825   2.3698   1.5015  297.156   38.126  273.585   91.146 23.57123 98.79882 
1 1 1   30   18   32 o  346.823   45.602   2.7678   0.5806   2.4591   0.6234   4.7881   1.5948  302.441   40.090  391.205   81.920 -88.76440 91.20397 
1 1 1   30   18   34 o  336.124   42.024   2.1879   0.5326   1.7556   0.5682   5.3180   1.5288  249.777   45.936  422.471   70.385 -172.6934 84.04833 
1 1 1   30   18   36 o  173.089   42.032   0.8245   0.3618   0.8666   0.3839   0.4892   1.0828  174.540   43.050  171.638   72.204 2.902344 84.06343 
1 1 1   30   18   38 o  265.285   82.648   2.4282   1.2485   0.0000   0.0000   2.4282   1.2485  ?   ?   265.285   82.648      ?      ? 
1 1 1   30   19    1 o  260.682   57.026   1.8650   0.9102   2.7564   1.2375   0.8144   1.3435  310.484   77.708  210.881   83.484 99.60323 114.0527 
1 1 1   30   19    3 o  289.746   58.597   2.2836   0.9360   1.5220   1.2307   3.3286   1.4416  240.024   82.500  339.469   83.235 -99.44501 117.1938 
1 1 1   30   19    5 o  437.918   42.100   3.8092   0.7794   2.9552   0.8554   7.9834   1.8911  333.923   49.825  541.912   67.877 -207.9888 84.20079 
1 1 1   30   19    7 o  199.741   50.847   0.9621   0.6686   1.0731   0.9233   0.8396   0.9697  205.487   71.410  193.995   72.403 11.49144 101.6933 
1 1 1   30   19    9 o  562.993   42.107   7.3166   1.0740   6.1427   1.2202   11.354   2.2629  481.100   49.331  644.887   68.253 -163.7874 84.21419 
1 1 1   30   19   11 o  756.787   48.374   15.704   1.5628   15.735   1.7791   15.598   3.2700  771.647   44.844  741.928   85.728 29.71887 96.74826 
1 1 1   30   19   13 o  387.329   44.594   2.9055   0.7340   1.9380   0.8132   7.1549   1.7044  262.562   61.350  512.097   64.735 -249.5341 89.18815 
1 1 1   30   19   15 o  236.998   47.200   0.9861   0.4361   0.7513   0.4640   2.7635   1.2766  166.633   50.101  307.362   80.007 -140.7292 94.39948 
1 1 1   30   19   17 o  308.247   51.401   3.2880   0.6819   3.6392   0.7428   1.4069   1.7192  371.691   38.873  244.802   95.170 126.8892 102.8025 
1 1 1   30   19   19 o  255.549   58.573   1.8035   0.8729   1.4205   1.1308   2.3683   1.3730  228.591   79.051  282.507   86.453 -53.91580 117.1461 
1 1 1   30   19   21 o  289.931   50.628   2.7819   0.6642   3.0648   0.7300   1.4214   1.6011  339.915   41.770  239.948   92.239 99.96716 101.2558 
1 1 1   30   19   23 o  468.514   36.845   5.7910   0.8875   5.7910   0.8875   0.0000   0.0000  468.514   36.845  ?   ?       ?      ? 
1 1 1   30   19   25 o  357.792   54.580   3.3796   0.6338   3.2778   0.6681   4.2964   2.0049  352.128   36.905  363.456  102.733 -11.32730 109.1603 
1 1 1   30   19   27 o  240.347   43.055   1.8662   0.4738   2.0503   0.5200   0.9666   1.1495  278.273   36.349  202.421   78.063 75.85182 86.11096 
1 1 1   30   19   29 o  422.020   99.709   5.8713   2.1290   0.0000   0.0000   5.8713   2.1290  ?   ?   422.020   99.709      ?      ? 
1 1 1   30   19   31 o  232.348   42.102   2.0300   0.5045   2.3564   0.5362  -0.4893   1.4895  297.690   35.032  167.005   76.571 130.6844 84.20382 
1 1 1   30   19   33 o  237.224   44.265   1.2538   0.4098   1.0687   0.4398   2.4717   1.1283  194.296   44.927  280.152   76.282 -85.85571 88.52913 
1 1 1   30   19   35 o  201.383   44.389   1.0192   0.3833   0.9493   0.4104   1.4982   1.0740  182.540   44.199  220.225   76.993 -37.68550 88.77711 
1 1 1   30   19   37 o  296.335   51.106   2.9170   0.7028   3.0410   0.7972   2.4843   1.4888  329.417   47.074  263.253   90.726 66.16394 102.2112 
1 1 1   30   20    0 o  201.967   99.211   1.6356   1.2265   1.6356   1.2265   0.0000   0.0000  201.967   99.211  201.967   99.211 0.000000 0.000000 
1 1 1   30   20    2 o  653.970   59.102   12.126   1.9535   13.949   2.7004   10.124   2.8294  712.181   73.750  595.759   92.374 116.4221 118.2035 
1 1 1   30   20    4 o  409.763   62.484   4.7545   1.3350   2.7015   1.7921   7.3144   2.0011  304.939   99.478  514.588   75.638 -209.6484 124.9679 
1 1 1   30   20    6 o  317.115   48.558   2.4504   0.6996   1.9652   0.8096   3.8813   1.3904  265.170   60.694  369.060   75.813 -103.8901 97.11505 
1 1 1   30   20    8 o  262.074   49.652   1.9724   0.6079   2.0396   0.6851   1.7236   1.3179  272.938   50.691  251.210   85.391 21.72784 99.30353 
1 1 1   30   20   10 o  484.362   75.536   6.5227   1.8810   6.5227   1.8810   0.0000   0.0000  484.362   75.536  ?   ?       ?      ? 
1 1 1   30   20   12 o  497.156   44.821   6.1030   0.9964   5.5145   1.1335   8.1052   2.0906  455.252   48.426  539.061   75.435 -83.80911 89.64121 
1 1 1   30   20   14 o  166.535   41.883   0.6672   0.3838   0.7086   0.4212   0.4645   0.9320  161.604   47.526  171.466   68.977 -9.861877 83.76519 
1 1 1   30   20   16 o  578.617   44.647   7.8663   1.0239   7.1970   1.1154   11.453   2.5819  521.726   41.583  635.507   79.022 -113.7812 89.29498 
1 1 1   30   20   18 o  174.953   41.815   0.8439   0.3984   0.9723   0.4276   0.0000   1.0964  187.613   44.926  162.294   70.539 25.31883 83.63056 
1 1 1   30   20   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   20   22 o  244.073   38.245   1.5747   0.4799   1.5747   0.4799   0.0000   0.0000  244.073   38.245  ?   ?       ?      ? 
1 1 1   30   20   24 o  198.030   43.810   0.6447   0.3301   0.5071   0.3469   1.9674   1.0754  138.217   43.644  257.843   75.976 -119.6258 87.61942 
1 1 1   30   20   26 o  243.152   38.901   1.0511   0.3649   0.7655   0.3913   2.9551   1.0105  165.992   44.810  320.312   63.602 -154.3203 77.80166 
1 1 1   30   20   28 f  201.466   44.603   1.2309   0.4924   1.4031   0.5473   0.4986   1.1285  223.165   49.037  179.767   74.520 43.39880 89.20679 
1 1 1   30   20   30 o  200.346   38.974   0.4632   0.2983   0.2480   0.3134   2.5253   0.9703  109.170   41.082  291.523   66.244 -182.3540 77.94841 
1 1 1   30   20   32 o  316.857   51.127   3.3330   0.6247   3.4675   0.6747   2.5251   1.6533  359.956   36.456  273.758   95.534 86.19849 102.2539 
1 1 1   30   20   34 o  419.053   53.421   5.3043   0.7817   5.2511   0.8461   5.6146   2.0422  441.414   37.283  396.691  100.126 44.72238 106.8417 
1 1 1   30   20   36 o  290.797   50.577   2.5070   0.6600   2.3348   0.7503   3.0956   1.3872  282.345   53.652  299.250   85.753 -16.90536 101.1542 
1 1 1   30   20   38 o  130.606   38.652   0.2758   0.3781   0.3408   0.4203   0.0000   0.8657  123.620   47.322  137.592   61.127 -13.97193 77.30405 
1 1 1   30   21    1 o  276.105   56.470   2.0532   0.9289   0.8266   1.2801   3.4174   1.3499  207.462   81.693  344.748   77.986 -137.2858 112.9402 
1 1 1   30   21    3 f  456.055   62.192   6.0494   1.4027   5.9965   1.9202   6.1098   2.0540  455.486   85.127  456.623   90.690 -1.137329 124.3837 
1 1 1   30   21    5 o  374.199   65.709   4.0693   1.2659   3.1280   1.6800   5.3058   1.9256  324.171   94.801  424.226   91.013 -100.0548 131.4177 
1 1 1   30   21    7 o  159.578   41.281   0.5720   0.3748   0.6002   0.4135   0.4424   0.8874  150.993   47.643  168.162   67.428 -17.16914 82.56151 
1 1 1   30   21    9 o  173.965   43.619   0.7484   0.4422   0.8274   0.4961   0.4426   0.9756  174.430   51.660  173.499   70.298 0.9318848 87.23833 
1 1 1   30   21   11 o  287.946   50.106   2.5136   0.6684   2.7069   0.7554   1.8160   1.4348  319.373   46.002  256.520   89.029 62.85297 100.2113 
1 1 1   30   21   13 o  291.337   51.907   2.7469   0.7261   3.0842   0.8122   1.4031   1.6211  340.574   46.384  242.101   92.875 98.47348 103.8130 
1 1 1   30   21   15 o  169.570   43.797   0.7075   0.4447   0.8398   0.4845   0.0000   1.1205  174.956   50.835  164.184   71.335 10.77136 87.59488 
1 1 1   30   21   17 o  299.941   46.021   2.3986   0.7097   2.3986   0.7097   0.0000   0.0000  299.941   46.021  ?   ?       ?      ? 
1 1 1   30   21   19 o  333.774   51.148   3.0018   0.8777   3.0018   0.8777   0.0000   0.0000  333.774   51.148  ?   ?       ?      ? 
1 1 1   30   21   21 o  602.508   43.965   8.6323   1.1552   7.5347   1.2933   12.963   2.5690  529.915   47.471  675.102   74.015 -145.1870 87.93006 
1 1 1   30   21   23 o  454.230   55.962   6.0507   0.8194   6.0543   0.8753   6.0254   2.3296  479.056   35.540  429.405  106.131 49.65134 111.9235 
1 1 1   30   21   25 o  231.243   43.474   1.6408   0.4384   1.7407   0.4720   1.0140   1.1825  256.550   35.786  205.936   79.243 50.61330 86.94865 
1 1 1   30   21   27 o  201.204   43.502   1.1143   0.3998   1.1304   0.4313   1.0160   1.0648  201.677   42.915  200.732   75.682 0.9445648 87.00310 
1 1 1   30   21   29 o  331.956   57.804   3.8375   1.0236   4.6104   1.2258   2.0577   1.8602  404.724   58.912  259.188   99.472 145.5359 115.6088 
1 1 1   30   21   31 o  241.904   48.740   1.5285   0.4583   1.4601   0.4856   2.0853   1.3860  228.837   42.851  254.972   87.558 -26.13466 97.48086 
1 1 1   30   21   33 o  176.250   42.451   0.8570   0.3728   0.9015   0.3967   0.5213   1.0900  178.208   43.648  174.291   72.824 3.917648 84.90253 
1 1 1   30   21   35 o  248.273   44.303   2.2912   0.6685   2.9745   0.7617   0.0000   1.3949  327.405   45.253  169.142   76.179 158.2633 88.60660 
1 1 1   30   21   37 o  250.041   43.988   1.0939   0.4183   0.7516   0.4446   3.7312   1.2341  160.921   49.190  339.160   72.940 -178.2391 87.97691 
1 1 1   30   22    0 o  258.748  108.281   2.5716   1.4440   2.5716   1.4440   0.0000   0.0000  258.748  108.281  258.748  108.281 0.000000 0.000000 
1 1 1   30   22    2 o  349.630   64.303   3.6574   1.1763   4.1821   1.6352   3.0945   1.6935  377.443   86.161  321.817   95.477 55.62659 128.6062 
1 1 1   30   22    4 o  333.141   59.058   3.0517   1.1106   1.2157   1.4812   5.4097   1.6786  231.307   88.765  434.976   77.922 -203.6693 118.1151 
1 1 1   30   22    6 o  332.504   52.933   2.7145   0.8144   2.0645   0.9484   4.5386   1.5888  269.201   68.391  395.807   80.812 -126.6062 105.8669 
1 1 1   30   22    8 o  334.684   50.595   2.9916   0.8706   2.9916   0.8706   0.0000   0.0000  334.684   50.595  ?   ?       ?      ? 
1 1 1   30   22   10 o  267.722   55.263   1.9936   0.7354   1.9936   0.7354   0.0000   0.0000  267.722   55.263  ?   ?       ?      ? 
1 1 1   30   22   12 o  159.654   44.064   0.4709   0.4034   0.4709   0.4357   0.4710   1.0674  139.801   49.028  179.507   73.232 -39.70650 88.12868 
1 1 1   30   22   14 o  271.698   64.077   2.1028   0.8805   2.1028   0.8805   0.0000   0.0000  271.698   64.077  ?   ?       ?      ? 
1 1 1   30   22   16 o  306.430   41.654   2.4882   0.6562   2.4882   0.6562   0.0000   0.0000  306.430   41.654  ?   ?       ?      ? 
1 1 1   30   22   18 o  479.741   44.669   5.5869   0.8106   5.2458   0.8764   7.6065   2.1326  445.724   38.246  513.758   80.738 -68.03326 89.33817 
1 1 1   30   22   20 o  200.692   51.315   0.8758   0.6318   0.6099   0.7481   1.5370   1.1797  167.119   63.334  234.264   80.758 -67.14514 102.6310 
1 1 1   30   22   22 o  138.959   37.621   0.4101   0.2551   0.4431   0.2651   0.0000   0.9351  128.193   37.711  149.725   65.110 -21.53239 75.24278 
1 1 1   30   22   24 o  177.870   41.227   0.7321   0.3264   0.6877   0.3495   1.0341   0.9125  157.676   42.256  198.065   70.803 -40.38940 82.45350 
1 1 1   30   22   26 o  316.161   40.196   1.8028   0.4738   1.4228   0.5038   4.7045   1.3923  226.202   44.906  406.120   66.680 -179.9181 80.39182 
1 1 1   30   22   28 o  222.547   44.424   1.5893   0.4464   1.7129   0.4716   0.5240   1.3850  253.662   36.162  191.431   81.155 62.23123 88.84715 
1 1 1   30   22   30 o  309.044   51.382   2.3516   0.6808   1.8918   0.7589   4.2457   1.5405  253.792   59.243  364.297   83.969 -110.5051 102.7645 
1 1 1   30   22   32 o  237.395   49.136   1.4469   0.4574   1.3610   0.4844   2.1527   1.3888  219.531   44.445  255.259   87.647 -35.72720 98.27180 
1 1 1   30   22   34 o  431.566   46.419   5.1810   1.0299   5.1810   1.0299   0.0000   0.0000  431.566   46.419  ?   ?       ?      ? 
1 1 1   30   22   36 o  242.922   38.413   1.6145   0.4798   1.6145   0.4798   0.0000   0.0000  242.922   38.413  ?   ?       ?      ? 
1 1 1   30   23    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   23    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   23    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   23    7 o  186.173   63.290   0.8993   0.7240   0.8993   0.7240   0.0000   0.0000  186.173   63.290  ?   ?       ?      ? 
1 1 1   30   23    9 o  151.179   40.898   0.4901   0.3891   0.5896   0.4268   0.0000   0.9473  150.170   48.514  152.187   65.855 -2.016998 81.79593 
1 1 1   30   23   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   23   13 o  348.585   46.929   3.2429   0.8411   3.2429   0.8411   0.0000   0.0000  348.585   46.929  ?   ?       ?      ? 
1 1 1   30   23   15 o  626.381   70.313   10.985   2.2644   10.985   2.2644   0.0000   0.0000  626.381   70.313  ?   ?       ?      ? 
1 1 1   30   23   17 o  357.939   54.087   4.0772   0.7334   4.2597   0.7987   3.0958   1.8523  401.463   38.695  314.415  101.016 87.04800 108.1739 
1 1 1   30   23   19 o  361.244   51.488   3.5424   0.7699   3.3840   0.8606   4.1776   1.7231  355.106   47.137  367.382   91.555 -12.27567 102.9766 
1 1 1   30   23   21 o  192.792   46.953   0.7460   0.4547   0.5720   0.4998   1.5823   1.0955  150.991   52.534  234.593   77.837 -83.60265 93.90661 
1 1 1   30   23   23 o  244.722   49.489   1.6287   0.4584   1.6329   0.4794   1.5837   1.5648  248.100   37.586  241.344   91.563 6.755402 98.97742 
1 1 1   30   23   25 f  290.680   45.029   1.9834   0.4868   1.7995   0.5225   3.1950   1.3411  259.719   39.128  321.641   81.114 -61.92258 90.05830 
1 1 1   30   23   27 o  216.199   44.749   0.9461   0.3751   0.7921   0.3983   2.1563   1.1166  168.012   45.145  264.387   77.277 -96.37505 89.49796 
1 1 1   30   23   29 o  402.029   61.849   5.6321   1.2882   7.3157   1.6819   3.2425   2.0038  502.462   65.106  301.595  105.178 200.8663 123.6979 
1 1 1   30   23   31 o  193.714   44.665   0.9901   0.3872   0.9765   0.4115   1.0951   1.1431  185.606   43.825  201.821   77.842 -16.21486 89.33095 
1 1 1   30   23   33 f  620.791   45.886   10.691   1.4645   10.691   1.4645   0.0000   0.0000  620.791   45.886  ?   ?       ?      ? 
1 1 1   30   23   35 o  240.706   48.949   1.6081   0.4765   1.5248   0.5078   2.2220   1.3790  230.935   44.385  250.477   87.259 -19.54239 97.89890 
1 1 1   30   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   24    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   24    4 o  768.768   85.898   16.992   3.3951   0.0000   0.0000   16.992   3.3951  ?   ?   768.768   85.898      ?      ? 
1 1 1   30   24    6 o  331.039   94.981   3.3387   1.7009   0.0000   0.0000   3.3387   1.7009  ?   ?   331.039   94.981      ?      ? 
1 1 1   30   24    8 o  221.902   48.967   1.4979   0.6615   1.9242   0.7498   0.0000   1.4054  261.928   57.273  181.877   79.441 80.05122 97.93364 
1 1 1   30   24   10 o  175.850   46.475   0.7349   0.4792   0.8504   0.5155   0.0000   1.3005  176.282   52.762  175.418   76.524 0.8639679 92.95061 
1 1 1   30   24   12 o  315.039   50.423   2.1861   0.6760   1.6653   0.7504   4.4288   1.5572  242.264   60.444  387.814   80.724 -145.5505 100.8456 
1 1 1   30   24   14 o  208.748   50.103   0.7918   0.4797   0.5986   0.5159   2.0262   1.3043  154.500   53.396  262.997   84.794 -108.4970 100.2059 
1 1 1   30   24   16 o  316.833   45.044   2.0416   0.6212   1.4295   0.6893   4.6867   1.4329  224.399   58.976  409.267   68.100 -184.8681 90.08751 
1 1 1   30   24   18 o  220.128   43.971   0.7162   0.3479   0.5264   0.3645   2.6568   1.1655  140.978   44.761  299.277   75.698 -158.2986 87.94115 
1 1 1   30   24   20 o  438.680   52.925   4.8269   0.9052   4.3955   0.9914   6.9881   2.2192  403.835   47.751  473.524   94.467 -69.68900 105.8497 
1 1 1   30   24   22 o  388.130   51.867   4.0913   0.7139   3.9634   0.7692   4.8867   1.9181  386.091   38.750  390.169   96.224 -4.077423 103.7333 
1 1 1   30   24   24 o  467.624   46.672   4.7804   0.9146   3.8802   1.0028   9.2365   2.2310  376.167   51.850  559.081   77.618 -182.9138 93.34312 
1 1 1   30   24   26 o  322.416   51.409   2.6430   0.5813   2.4894   0.6175   3.8402   1.7240  304.829   39.398  340.003   94.969 -35.17435 102.8173 
1 1 1   30   24   28 o  148.206   42.324   0.6112   0.3385   0.6112   0.3385   0.0000   0.0000  148.206   42.324  ?   ?       ?      ? 
1 1 1   30   24   30 o  259.157   50.611   1.7866   0.5987   1.5220   0.6732   2.7868   1.3089  226.960   57.599  291.355   83.235 -64.39503 101.2216 
1 1 1   30   24   32 o  182.318   49.102   0.9634   0.4705   0.9634   0.4705   0.0000   0.0000  182.318   49.102  ?   ?       ?      ? 
1 1 1   30   24   34 o  229.404   49.295   1.3244   0.4507   1.2057   0.4775   2.2943   1.3650  203.935   46.566  254.874   86.901 -50.93877 98.59044 
1 1 1   30   25    1 o  264.897   51.924   1.7325   0.8866   0.0000   1.2135   3.7158   1.2984  170.291   74.113  359.504   72.744 -189.2134 103.8478 
1 1 1   30   25    3 f  299.297   55.455   2.5553   0.9739   0.8784   1.3634   4.3030   1.3918  211.015   83.921  387.578   72.513 -176.5628 110.9095 
1 1 1   30   25    5 o  187.729   52.400   0.6169   0.7161   0.4299   0.8840   0.9737   1.2213  166.315   67.081  209.143   80.518 -42.82854 104.7998 
1 1 1   30   25    7 f  179.042   48.163   0.5979   0.4703   0.5314   0.5097   0.9788   1.2194  148.990   52.953  209.093   80.466 -60.10301 96.32648 
1 1 1   30   25    9 o  402.090   52.799   4.1046   0.9468   3.5449   1.0859   5.8779   1.9329  360.597   58.575  443.584   87.864 -82.98654 105.5990 
1 1 1   30   25   11 o  458.822   65.530   6.7715   1.4801   8.4255   1.9325   4.4245   2.3020  549.691   68.380  367.954  111.808 181.7365 131.0602 
1 1 1   30   25   13 o  141.240   38.571   0.4162   0.3414   0.4959   0.3727   0.0000   0.8512  138.413   45.376  144.068   62.384 -5.654816 77.14132 
1 1 1   30   25   15 o  205.025   47.641   1.2026   0.5362   1.3491   0.5913   0.5247   1.2718  219.047   53.062  191.003   79.138 28.04346 95.28113 
1 1 1   30   25   17 o  224.043   47.983   1.2363   0.4270   1.1927   0.4509   1.6154   1.3289  207.829   43.594  240.257   85.492 -32.42726 95.96577 
1 1 1   30   25   19 o  297.720   52.500   2.4843   0.6750   2.4282   0.7464   2.7359   1.5815  299.850   48.417  295.590   93.171 4.259644 105.0000 
1 1 1   30   25   21 o  210.812   45.598   0.5219   0.4327   0.1901   0.4636   2.7660   1.2056  119.339   48.422  302.285   77.278 -182.9469 91.19531 
1 1 1   30   25   23 o  325.832   52.609   3.3586   0.6396   3.4487   0.6871   2.7728   1.7520  360.117   37.109  291.548   98.456 68.56927 105.2175 
1 1 1   30   25   25 o  168.641   46.322   0.5615   0.3254   0.5616   0.3342   0.5593   1.4264  142.972   42.410  194.311   82.366 -51.33839 92.64325 
1 1 1   30   25   27 o  160.403   42.355   0.7218   0.3545   0.7218   0.3545   0.0000   0.0000  160.403   42.355  ?   ?       ?      ? 
1 1 1   30   25   29 o  178.697   46.551   0.7568   0.5022   0.6332   0.5787   1.1339   1.0107  156.613   56.341  200.780   74.119 -44.16747 93.10181 
1 1 1   30   25   31 o  157.693   45.421   0.7071   0.3883   0.7071   0.3883   0.0000   0.0000  157.693   45.421  ?   ?       ?      ? 
1 1 1   30   25   33 o  192.341   42.954   1.2197   0.4333   1.3585   0.4573   0.0000   1.3555  218.874   42.164  165.808   74.849 53.06613 85.90786 
1 1 1   30   26    0 o  185.653   94.826   1.4068   1.1424   0.0000   0.0000   1.4068   1.1424  185.653   94.826  185.653   94.826 -0.000000 0.000000 
1 1 1   30   26    2 o  381.063   62.755   4.3251   1.2944   6.4191   1.8749   2.4184   1.7891  475.954   76.622  286.172   99.408 189.7820 125.5103 
1 1 1   30   26    4 o  472.398   65.126   6.7883   1.5339   8.0037   2.1112   5.4295   2.2324  530.773   77.367  414.022  104.785 116.7516 130.2520 
1 1 1   30   26    6 o  325.925   62.957   3.3216   1.1464   4.3517   1.5299   2.0025   1.7313  384.655   79.971  267.194   97.258 117.4615 125.9146 
1 1 1   30   26    8 o  204.814   49.704   0.7427   0.5361   0.4421   0.5964   2.0079   1.2234  147.738   56.412  261.889   81.851 -114.1501 99.40800 
1 1 1   30   26   10 o  218.539   58.551   1.1565   0.8558   1.2177   1.0146   1.0053   1.5934  213.648   74.823  223.430   90.081 -9.781631 117.1029 
1 1 1   30   26   12 o  317.099   52.755   2.8149   0.7527   2.7356   0.8571   3.0825   1.5741  317.961   52.430  316.236   91.561 1.724792 105.5101 
1 1 1   30   26   14 o  428.068   47.955   3.9578   0.8746   3.0660   0.9680   7.9210   2.0406  329.989   59.231  526.147   75.435 -196.1579 95.91022 
1 1 1   30   26   16 o  715.211   49.070   13.801   1.5097   13.253   1.7093   15.745   3.2196  701.809   47.372  728.614   85.949 -26.80530 98.13903 
1 1 1   30   26   18 o  251.331   47.067   1.7846   0.4691   1.8002   0.4998   1.6690   1.3595  260.674   37.293  241.988   86.432 18.68643 94.13383 
1 1 1   30   26   20 o  443.358   60.208   6.8228   1.0650   7.4614   1.2028   4.5061   2.2910  526.670   44.421  360.044  111.924 166.6259 120.4170 
1 1 1   30   26   22 o  457.900   44.839   4.7181   0.7445   4.2731   0.7938   7.9705   2.1459  400.218   38.579  515.582   80.956 -115.3641 89.67825 
1 1 1   30   26   24 o  290.736   50.860   2.5991   0.5680   2.6432   0.6062   2.2823   1.6243  314.623   37.478  266.849   94.563 47.77383 101.7195 
1 1 1   30   26   26 o  288.811   49.539   2.5730   0.5590   2.6149   0.6009   2.3033   1.5230  312.406   37.414  265.215   91.741 47.19153 99.07700 
1 1 1   30   26   28 o  248.258   46.374   1.3952   0.4898   1.0853   0.5374   2.9133   1.1895  193.338   52.648  303.177   76.356 -109.8395 92.74703 
1 1 1   30   26   30 o  240.510   51.962   1.6848   0.6238   1.6848   0.6238   0.0000   0.0000  240.510   51.962  ?   ?       ?      ? 
1 1 1   30   26   32 o  165.340   39.947   0.8165   0.3700   0.9303   0.3949   0.0000   1.0580  180.068   43.212  150.611   67.200 29.45662 79.89426 
1 1 1   30   27    1 o  244.095   58.707   1.6620   0.8821   1.4212   1.2044   1.9406   1.2955  229.680   81.426  258.510   84.591 -28.83064 117.4131 
1 1 1   30   27    3 o  368.449   65.405   4.1409   1.2982   5.9722   1.8877   2.4978   1.7882  448.377   85.000  288.521   99.430 159.8565 130.8106 
1 1 1   30   27    5 o  374.768   65.085   4.2873   1.2402   4.0485   1.6689   4.5817   1.8533  364.377   89.692  385.159   94.339 -20.78119 130.1709 
1 1 1   30   27    7 o  294.832   56.371   2.3811   0.7907   2.1436   0.9148   3.0827   1.5724  272.874   65.939  316.791   91.448 -43.91638 112.7418 
1 1 1   30   27    9 o  274.077   56.257   2.0267   0.7148   1.8938   0.7969   2.5742   1.6172  257.657   61.085  290.497   94.488 -32.84064 112.5143 
1 1 1   30   27   11 o  183.446   47.314   0.8596   0.4980   0.9878   0.5338   0.0000   1.3819  188.081   52.958  178.812   78.420 9.268661 94.62727 
1 1 1   30   27   13 o  191.572   47.386   0.8710   0.4616   0.8354   0.5024   1.0632   1.1683  174.010   52.091  209.134   79.173 -35.12415 94.77225 
1 1 1   30   27   15 o  182.486   46.314   0.7306   0.4438   0.6579   0.4863   1.0933   1.0857  157.642   51.838  207.330   76.764 -49.68796 92.62734 
1 1 1   30   27   17 o  321.338   52.066   3.1238   0.5925   3.1657   0.6305   2.8064   1.7344  346.067   35.435  296.608   97.918 49.45892 104.1323 
1 1 1   30   27   19 o  548.368   46.935   7.3757   1.0911   6.5597   1.2115   10.880   2.5106  491.776   47.916  604.959   80.719 -113.1831 93.86978 
1 1 1   30   27   21 o  445.105   56.596   5.7712   1.0257   5.6115   1.1530   6.3764   2.2451  453.102   49.496  437.108  101.798 15.99460 113.1929 
1 1 1   30   27   23 o  170.649   41.216   0.8140   0.3529   0.8965   0.3703   0.0000   1.1631  179.253   41.064  162.046   71.476 17.20656 82.43184 
1 1 1   30   27   25 o  163.333   43.930   0.5622   0.3239   0.5603   0.3361   0.5871   1.2111  142.482   42.595  184.184   76.845 -41.70110 87.86067 
1 1 1   30   27   27 o  377.339   45.696   3.9162   0.8865   3.9162   0.8865   0.0000   0.0000  377.339   45.696  ?   ?       ?      ? 
1 1 1   30   27   29 o  157.084   42.589   0.5571   0.3922   0.5487   0.4285   0.6006   0.9733  143.013   48.689  171.154   69.890 -28.14104 85.17731 
1 1 1   30   27   31 o  270.937   43.780   1.5563   0.4515   1.2421   0.4847   3.6177   1.2416  207.140   46.640  334.735   74.105 -127.5946 87.56036 
1 1 1   30   28    0 o  128.031   77.032   0.4897   0.9180   0.4897   0.9180   0.0000   0.0000  128.031   77.032  128.031   77.032 0.000000 0.000000 
1 1 1   30   28    2 o  202.598   53.744   0.9835   0.7570   0.9586   1.0497   1.0104   1.0927  200.466   75.231  204.731   76.771 -4.265274 107.4872 
1 1 1   30   28    4 o  233.386   58.391   1.3876   0.8751   0.9297   1.1338   2.0624   1.3765  202.230   77.648  264.542   87.229 -62.31194 116.7823 
1 1 1   30   28    6 o  250.352   56.352   1.4408   0.8687   0.4551   1.0909   3.1492   1.4361  178.669   73.591  322.035   85.360 -143.3653 112.7033 
1 1 1   30   28    8 o  195.264   51.531   0.8496   0.5796   0.8031   0.6422   1.0542   1.3459  175.134   59.606  215.394   84.076 -40.26062 103.0612 
1 1 1   30   28   10 o  254.538   60.835   1.8473   0.9174   1.6997   1.1447   2.1125   1.5339  242.281   79.528  266.795   92.080 -24.51402 121.6699 
1 1 1   30   28   12 o  252.283   45.649   1.6873   0.5729   1.3127   0.6987   2.4555   1.0006  214.493   60.656  290.073   68.236 -75.57947 91.29771 
1 1 1   30   28   14 o  285.252   53.179   2.6022   0.7499   2.8559   0.8439   1.6503   1.6347  324.310   50.615  246.193   93.542 78.11716 106.3582 
1 1 1   30   28   16 o  219.901   51.071   1.2098   0.5419   1.1124   0.5937   1.6963   1.3269  197.936   55.889  241.867   85.495 -43.93149 102.1420 
1 1 1   30   28   18 o  464.255   42.645   4.5202   0.7404   3.9329   0.7907   8.6973   2.1089  383.626   40.092  544.885   75.280 -161.2596 85.29077 
1 1 1   30   28   20 o  219.594   46.255   0.9029   0.3733   0.7519   0.3922   2.3579   1.2175  163.984   45.108  275.203   80.768 -111.2187 92.51034 
1 1 1   30   28   22 o  262.717   47.890   2.3323   0.5431   2.4968   0.5810   1.1929   1.5293  305.762   36.959  219.673   88.363 86.08925 95.78094 
1 1 1   30   28   24 o  253.419   52.671   1.7195   0.5609   1.6132   0.6024   2.4125   1.5376  237.348   50.896  269.490   92.230 -32.14270 105.3414 
1 1 1   30   28   26 o  300.206   38.268   2.4316   0.5906   2.4316   0.5906   0.0000   0.0000  300.206   38.268  ?   ?       ?      ? 
1 1 1   30   28   28 o  302.534   50.303   1.9939   0.6305   1.4288   0.6894   4.8868   1.5597  217.706   59.771  387.363   80.926 -169.6575 100.6066 
1 1 1   30   28   30 o  249.305   47.168   1.2214   0.5248   0.7187   0.5752   3.7158   1.2814  160.835   56.338  337.775   75.665 -176.9397 94.33581 
1 1 1   30   29    1 o  303.643   59.794   2.7931   1.0423   1.4842   1.4891   4.0502   1.4594  238.096   89.554  369.190   79.255 -131.0945 119.5878 
1 1 1   30   29    3 o  366.137   67.789   4.2305   1.3003   4.8002   1.8306   3.6503   1.8473  393.887   92.051  338.387   99.539 55.49982 135.5777 
1 1 1   30   29    5 o  266.625   55.860   2.1147   0.9414   3.2906   1.2428   0.5318   1.4420  334.314   74.239  198.936   83.485 135.3786 111.7196 
1 1 1   30   29    7 o  211.475   51.525   1.1838   0.5903   1.2083   0.6548   1.0776   1.3646  206.513   58.827  216.438   84.610 -9.925385 103.0506 
1 1 1   30   29    9 o  293.403   56.234   2.1175   0.7620   1.6474   0.8627   3.7849   1.6248  238.141   67.418  348.664   90.021 -110.5235 112.4674 
1 1 1   30   29   11 o  171.989   45.080   0.7331   0.4956   0.8998   0.5491   0.0000   1.1512  179.987   54.589  163.990   71.756 15.99681 90.16042 
1 1 1   30   29   13 o  361.834   43.042   2.3517   0.7277   0.6745   0.8237   8.3094   1.5525  173.663   66.302  550.005   54.904 -376.3426 86.08377 
1 1 1   30   29   15 o  135.125   38.422   0.3295   0.3383   0.3903   0.3682   0.0000   0.8573  127.226   45.027  143.023   62.269 -15.79712 76.84326 
1 1 1   30   29   17 o  192.273   43.822   1.0242   0.3746   1.0691   0.3933   0.5845   1.2311  196.675   40.252  187.872   77.853 8.802673 87.64305 
1 1 1   30   29   19 o  172.751   41.359   0.8593   0.4118   1.0120   0.4469   0.0000   1.0600  189.433   46.282  156.068   68.557 33.36403 82.71745 
1 1 1   30   29   21 o  402.613   55.174   4.6801   0.8965   4.4925   0.9985   5.4602   2.0363  404.712   47.990  400.514   99.367 4.198608 110.3488 
1 1 1   30   29   23 o  298.326   44.628   2.4313   0.6845   2.4313   0.6845   0.0000   0.0000  298.326   44.628  ?   ?       ?      ? 
1 1 1   30   29   25 o  148.847   41.767   0.6219   0.3327   0.6219   0.3327   0.0000   0.0000  148.847   41.767  ?   ?       ?      ? 
1 1 1   30   29   27 f  236.127   51.425   1.5645   0.4752   1.5379   0.4957   1.8663   1.6693  233.632   42.848  238.622   93.499 -4.989624 102.8499 
1 1 1   30   29   29 o  234.931   46.639   1.0218   0.4042   0.7843   0.4262   3.1469   1.2750  164.586   47.638  305.275   80.195 -140.6884 93.27731 
1 1 1   30   30    0 o  163.722   94.228   1.0220   1.2714   0.0000   0.0000   1.0220   1.2714  163.722   94.228  163.722   94.228 -0.000000 0.000000 
1 1 1   30   30    2 o  181.562   51.556   0.5030   0.7571   0.0000   1.0506   1.0464   1.0921  157.772   68.805  205.351   76.798 -47.57861 103.1122 
1 1 1   30   30    4 o  343.165   61.358   3.5499   1.2064   1.4565   1.6557   5.9192   1.7614  239.827   93.352  446.502   79.651 -206.6746 122.7151 
1 1 1   30   30    6 o  236.760   55.387   1.2928   0.8164   0.4754   1.0212   2.7401   1.3589  174.682   71.489  298.837   84.617 -124.1555 110.7734 
1 1 1   30   30    8 o  257.604   55.167   1.8452   0.6970   1.7442   0.7871   2.2117   1.4999  245.649   62.246  269.559   91.099 -23.90967 110.3337 
1 1 1   30   30   10 o  316.611   60.632   3.2505   1.0994   4.4409   1.4545   1.6639   1.6792  386.426   75.918  246.796   94.559 139.6300 121.2636 
1 1 1   30   30   12 o  169.274   43.644   0.7336   0.4776   0.9205   0.5350   0.0000   1.0600  181.172   53.644  157.376   68.859 23.79575 87.28787 
1 1 1   30   30   14 o  285.862   55.500   2.3262   0.7425   2.1696   0.8439   2.8633   1.5627  273.369   61.529  298.354   92.387 -24.98517 111.0007 
1 1 1   30   30   16 o  399.365   53.885   4.2788   0.9321   3.8181   1.0575   5.8835   1.9734  370.740   55.479  427.990   92.392 -57.25076 107.7690 
1 1 1   30   30   18 o  408.407   44.983   3.1503   0.6891   2.5337   0.7330   7.8475   2.0230  304.802   46.774  512.013   76.852 -207.2117 89.96627 
1 1 1   30   30   20 o  192.905   45.362   0.6975   0.3907   0.5232   0.4193   1.8487   1.0774  141.481   48.162  244.329   76.884 -102.8474 90.72306 
1 1 1   30   30   22 o  132.572   41.695   0.4767   0.3169   0.4767   0.3169   0.0000   0.0000  132.572   41.695  ?   ?       ?      ? 
1 1 1   30   30   24 o  273.996   47.855   1.7531   0.4601   1.5940   0.4855   3.1581   1.4428  242.676   38.911  305.317   87.443 -62.64070 95.70957 
1 1 1   30   30   26 o  338.598   55.825   4.0425   0.7135   4.1658   0.7623   3.1694   2.0281  391.948   37.827  285.249  105.046 106.6995 111.6492 
1 1 1   30   30   28 o  262.798   48.138   2.7465   0.7187   3.2220   0.7784   0.0000   1.8707  339.994   44.530  185.603   85.360 154.3911 96.27693 
1 1 1   30   31    1 o  171.482   47.037   0.5256   0.6235   1.0326   0.8739   0.0000   0.8899  196.992   69.412  145.971   63.497 51.02083 94.07341 
1 1 1   30   31    3 o  265.870   53.229   1.8830   0.9320   0.0000   1.3108   3.8080   1.3254  173.305   76.182  358.435   74.360 -185.1300 106.4572 
1 1 1   30   31    5 o  253.117   56.239   1.8519   0.9171   2.9444   1.2449   0.5549   1.3563  312.090   77.844  194.143   81.187 117.9471 112.4772 
1 1 1   30   31    7 o  394.237   65.944   4.9351   1.3211   4.2638   1.8430   5.6446   1.8947  362.723   96.961  425.750   89.405 -63.02786 131.8888 
1 1 1   30   31    9 o  327.770   67.125   3.5565   1.2652   4.6039   1.7039   2.2693   1.8889  383.401   88.267  272.139  101.154 111.2615 134.2502 
1 1 1   30   31   11 o  193.959   44.706   1.1300   0.5363   1.4336   0.6041   0.0000   1.1654  224.322   53.185  163.596   71.874 60.72546 89.41214 
1 1 1   30   31   13 o  184.058   47.268   0.9088   0.5703   1.1461   0.6404   0.0000   1.2534  199.831   58.560  168.284   74.214 31.54706 94.53558 
1 1 1   30   31   15 o  204.684   48.294   1.2433   0.5719   1.4125   0.6419   0.5919   1.2594  220.980   56.334  188.387   78.459 32.59293 96.58860 
1 1 1   30   31   17 o  320.012   51.563   2.4087   0.5973   2.1603   0.6362   4.2557   1.7351  282.189   43.853  357.834   93.338 -75.64581 103.1264 
1 1 1   30   31   19 f  231.277   44.219   1.4980   0.5066   1.4980   0.5066   0.0000   0.0000  231.277   44.219  ?   ?       ?      ? 
1 1 1   30   31   21 o  325.722   50.360   2.9556   0.8433   2.9556   0.8433   0.0000   0.0000  325.722   50.360  ?   ?       ?      ? 
1 1 1   30   31   23 o  287.870   50.964   3.1005   0.6553   3.3593   0.7005   1.2848   1.8554  352.197   38.685  223.543   94.302 128.6539 101.9287 
1 1 1   30   31   25 o  226.141   43.185   1.8750   0.4893   2.0996   0.5177   0.0000   1.4961  278.768   36.124  173.514   78.452 105.2536 86.36931 
1 1 1   30   31   27 f  221.869   47.157   1.2966   0.4269   1.2102   0.4540   1.9572   1.2550  205.114   44.346  238.623   83.238 -33.50917 94.31429 
1 1 1   30   32    0 o  193.608  101.372   1.5985   1.3276   0.0000   0.0000   1.5985   1.3276  193.608  101.372  193.608  101.372 -0.000000 0.000000 
1 1 1   30   32    2 o  318.864   62.814   3.2232   1.1221   2.0669   1.5928   4.3625   1.5811  261.419   93.536  376.310   83.867 -114.8904 125.6288 
1 1 1   30   32    4 o  278.642   60.023   2.3556   1.0215   3.5459   1.4319   1.1223   1.4575  338.688   82.903  218.596   86.823 120.0922 120.0463 
1 1 1   30   32    6 o  263.371   60.161   2.1295   0.9282   1.9847   1.2848   2.2877   1.3426  255.349   84.276  271.393   85.877 -16.04462 120.3216 
1 1 1   30   32    8 o  176.261   43.588   0.8469   0.5058   1.1223   0.5822   0.0000   1.0211  198.259   55.122  154.262   67.537 43.99652 87.17625 
1 1 1   30   32   10 o  184.069   59.883   0.9445   0.6496   0.9445   0.6496   0.0000   0.0000  184.069   59.883  ?   ?       ?      ? 
1 1 1   30   32   12 o  250.023   80.272   1.9211   1.1698   1.9211   1.1698   0.0000   0.0000  250.023   80.272  ?   ?       ?      ? 
1 1 1   30   32   14 o  269.267   57.253   2.2824   0.8626   1.9983   1.2290   2.5582   1.2109  253.036   82.373  285.498   79.537 -32.46204 114.5055 
1 1 1   30   32   16 o  122.962   38.229   0.4062   0.2673   0.4062   0.2673   0.0000   0.0000  122.962   38.229  ?   ?       ?      ? 
1 1 1   30   32   18 o  207.394   45.446   1.2177   0.4712   1.2177   0.4712   0.0000   0.0000  207.394   45.446  ?   ?       ?      ? 
1 1 1   30   32   20 o  302.942   54.142   2.7638   0.7354   2.6407   0.8297   3.2148   1.5879  301.619   55.551  304.264   92.950 -2.645447 108.2847 
1 1 1   30   32   22 o  189.139   41.524   1.1666   0.4203   1.3264   0.4481   0.0000   1.2111  217.286   41.630  160.992   71.860 56.29494 83.04798 
1 1 1   30   32   24 o  220.334   46.440   1.5733   0.4779   1.6685   0.5022   0.6610   1.5546  247.155   39.524  193.513   84.051 53.64200 92.87989 
1 1 1   30   32   26 o  172.583   43.593   0.8500   0.3788   0.9168   0.3934   0.0000   1.4033  178.339   43.335  166.827   75.654 11.51204 87.18591 
1 1 1   30   33    1 o  250.930   60.643   1.9036   0.9457   1.6155   1.3275   2.2006   1.3476  236.033   85.279  265.827   86.242 -29.79485 121.2855 
1 1 1   30   33    3 o  358.161   93.971   4.1813   1.7520   4.1813   1.7520   0.0000   0.0000  358.161   93.971  ?   ?       ?      ? 
1 1 1   30   33    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   33    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   33    9 o  142.379   57.197   0.3418   0.6399   0.3418   0.6399   0.0000   0.0000  142.379   57.197  ?   ?       ?      ? 
1 1 1   30   33   11 o  186.778   50.627   0.8558   0.6948   1.1825   0.8167   0.0000   1.3217  202.705   67.206  170.852   75.734 31.85358 101.2537 
1 1 1   30   33   13 o  303.464   66.281   3.1085   1.1326   3.1829   1.4645   2.9978   1.7864  311.836   87.682  295.093   99.421 16.74298 132.5621 
1 1 1   30   33   15 o  352.591   36.675   3.3295   0.6648   3.3295   0.6648   0.0000   0.0000  352.591   36.675  ?   ?       ?      ? 
1 1 1   30   33   17 o  232.106   44.447   0.8205   0.3539   0.6115   0.3694   3.1596   1.2359  148.200   44.735  316.013   76.816 -167.8133 88.89309 
1 1 1   30   33   19 o  285.110   51.071   2.9981   0.6616   3.2536   0.7095   1.2963   1.8311  346.229   39.857  223.991   94.044 122.2385 102.1411 
1 1 1   30   33   21 o  300.286   52.957   2.9460   0.6488   2.9938   0.6992   2.6497   1.7403  330.849   41.103  269.723   97.612 61.12512 105.9134 
1 1 1   30   33   23 o  167.993   42.708   0.7108   0.3413   0.7149   0.3587   0.6717   1.1085  158.114   42.995  177.872   73.806 -19.75815 85.41577 
1 1 1   30   33   25 o  389.911   49.171   3.0152   0.6627   2.4385   0.6989   8.1632   2.0881  294.134   46.214  485.688   86.807 -191.5533 98.34205 
1 1 1   30   34    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   34    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   34    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   34    6 o  242.728   87.484   1.7892   1.3958   0.0000   0.0000   1.7892   1.3958  ?   ?   242.728   87.484      ?      ? 
1 1 1   30   34    8 o  213.890   82.583   1.2133   1.2877   0.0000   0.0000   1.2133   1.2877  ?   ?   213.890   82.583      ?      ? 
1 1 1   30   34   10 o  192.431   48.007   1.0481   0.5704   1.1904   0.6566   0.6103   1.1517  202.014   59.321  182.848   75.498 19.16573 96.01472 
1 1 1   30   34   12 o  203.440   50.599   0.6103   0.5893   0.1376   0.6607   2.4512   1.3038  132.105   56.029  274.775   84.272 -142.6698 101.1980 
1 1 1   30   34   14 o  405.095   49.881   4.9803   0.9915   5.1894   1.2996   4.6892   1.5336  425.562   59.401  384.629   80.151 40.93326 99.76289 
1 1 1   30   34   16 o  144.686   41.007   0.4279   0.3065   0.4604   0.3179   0.0000   1.1527  130.584   41.838  158.787   70.540 -28.20236 82.01404 
1 1 1   30   34   18 o  298.307   51.937   2.1069   0.5173   1.9290   0.5421   3.9151   1.7283  266.423   39.577  330.192   96.039 -63.76926 103.8746 
1 1 1   30   34   20 o  196.013   46.423   1.2282   0.5138   1.3931   0.5472   0.0000   1.4932  218.698   49.782  173.327   78.372 45.37126 92.84604 
1 1 1   30   34   22 o  248.856   45.690   1.2118   0.4343   0.9131   0.4629   3.4089   1.2553  176.597   49.167  321.115   77.026 -144.5181 91.38055 
1 1 1   30   35    1 o  282.305   60.341   2.5497   0.9919   1.6842   1.3937   3.4380   1.4120  236.767   87.098  327.842   83.535 -91.07526 120.6819 
1 1 1   30   35    3 o  252.794   61.583   2.0324   0.9840   1.6343   1.4835   2.3452   1.3150  235.493   89.201  270.096   84.931 -34.60280 123.1668 
1 1 1   30   35    5 o  209.900   55.786   1.0995   0.8374   0.5335   1.1227   1.8089   1.2570  178.353   74.163  241.447   83.356 -63.09398 111.5728 
1 1 1   30   35    7 o  259.517   56.314   1.7971   0.9169   0.5147   1.1880   3.6866   1.4420  180.306   75.728  338.729   83.368 -158.4235 112.6279 
1 1 1   30   35    9 o  220.602   57.679   1.3567   0.8605   1.0004   1.1207   1.8686   1.3433  197.870   76.863  243.335   86.021 -45.46500 115.3586 
1 1 1   30   35   11 o  183.053   51.162   0.7782   0.6053   0.8108   0.6671   0.6263   1.4394  172.604   60.660  193.502   82.406 -20.89781 102.3249 
1 1 1   30   35   13 o  369.401   59.273   4.4199   1.0380   4.4268   1.2322   4.4030   1.9266  390.655   61.350  348.147  101.437 42.50803 118.5464 
1 1 1   30   35   15 o  165.048   39.057   0.3771   0.2637   0.2511   0.2774   1.5545   0.8478  105.553   38.854  224.542   67.766 -118.9891 78.11469 
1 1 1   30   35   17 o  492.469   46.398   5.5802   0.9083   4.7292   0.9836   10.503   2.3658  412.335   46.399  572.602   80.363 -160.2673 92.79575 
1 1 1   30   35   19 o  153.719   45.352   0.3637   0.4547   0.3082   0.4938   0.6735   1.1664  127.191   50.530  180.246   75.325 -53.05544 90.70358 
1 1 1   30   35   21 o  209.004   48.788   1.2353   0.4462   1.2207   0.4683   1.3795   1.4721  205.329   45.551  212.679   86.290 -7.350281 97.57503 
1 1 1   30   36    0 o  325.285  115.173   4.0500   1.7521   0.0000   0.0000   4.0500   1.7521  325.285  115.173  325.285  115.173 -0.000000 0.000000 
1 1 1   30   36    2 o  222.995   60.237   1.4132   0.9611   1.6848   1.4185   1.1827   1.3067  235.002   87.598  210.987   82.708 24.01514 120.4741 
1 1 1   30   36    4 o  362.712   70.804   4.6288   1.3779   3.8515   1.9041   5.4834   1.9966  327.091  102.093  398.332   98.132 -71.24069 141.6084 
1 1 1   30   36    6 f  176.280   51.477   0.5697   0.7503   0.5318   0.9872   0.6215   1.1544  170.592   70.106  181.968   75.395 -11.37619 102.9531 
1 1 1   30   36    8 o  249.692   61.581   1.9727   0.9702   1.5538   1.2836   2.5310   1.4817  226.114   83.516  273.269   90.519 -47.15463 123.1611 
1 1 1   30   36   10 o  208.854   50.989   1.2872   0.6353   1.2908   0.7596   1.2788   1.1594  207.388   64.441  210.321   79.037 -2.933197 101.9779 
1 1 1   30   36   12 o  222.178   54.391   1.1410   0.6492   0.7672   0.7291   2.5712   1.4262  170.609   62.958  273.747   88.712 -103.1390 108.7819 
1 1 1   30   36   14 o  168.911   39.733   0.6435   0.3054   0.5639   0.3290   1.1401   0.8218  141.917   42.075  195.904   67.412 -53.98735 79.46503 
1 1 1   30   36   16 o  192.122   44.260   1.0863   0.3926   1.1301   0.4124   0.6604   1.2848  199.748   41.508  184.496   78.186 15.25258 88.52071 
1 1 1   30   36   18 o  230.802   46.931   0.8475   0.4027   0.5830   0.4232   3.3884   1.3115  145.083   48.389  316.521   80.428 -171.4376 93.86225 
1 1 1   30   36   20 o  202.527   47.042   0.5702   0.3439   0.3984   0.3571   2.7797   1.2806  124.681   44.320  280.372   82.990 -155.6909 94.08325 
1 1 1   30   37    1 o  506.895   73.198   9.1049   1.8429   9.2572   2.5914   8.9490   2.6214  513.890  101.682  499.899  105.320 13.99124 146.3951 
1 1 1   30   37    3 o  235.946   59.438   1.7321   0.9278   2.2696   1.3286   1.2204   1.2963  261.420   85.672  210.471   82.413 50.94864 118.8769 
1 1 1   30   37    5 o  206.281   55.563   1.1473   0.8404   1.6670   1.1887   0.6280   1.1883  230.129   80.966  182.432   76.115 47.69685 111.1261 
1 1 1   30   37    7 o  171.000   49.406   0.5804   0.6823   0.5357   0.9010   0.6404   1.0448  165.366   67.352  176.634   72.300 -11.26743 98.81120 
1 1 1   30   37    9 o  200.665   52.474   0.9757   0.7941   0.0000   1.1218   1.9555   1.1242  156.055   69.445  245.276   78.685 -89.22137 104.9472 
1 1 1   30   37   11 o  179.783   44.097   0.8429   0.3417   0.8571   0.3544   0.6564   1.2867  174.081   40.383  185.485   78.405 -11.40402 88.19386 
1 1 1   30   37   13 o  430.185   42.718   3.8116   0.7011   3.1308   0.7495   8.5774   1.9831  336.621   43.308  523.748   73.646 -187.1270 85.43581 
1 1 1   30   37   15 o  388.249   35.539   3.0326   0.5867   2.1538   0.6455   7.2040   1.4064  277.755   45.205  498.743   54.850 -220.9878 71.07780 
1 1 1   30   37   17 o  211.890   47.431   1.3420   0.4698   1.3388   0.5038   1.3633   1.3018  214.413   46.998  209.367   82.401 5.045135 94.86163 
1 1 1   30   38    0 o  254.947  120.118   3.0130   1.7750   3.0130   1.7750   0.0000   0.0000  254.947  120.118  254.947  120.118 0.000000 0.000000 
1 1 1   30   38    2 o  127.363   38.222   0.1131   0.2498   0.0703   0.2602   0.6154   0.8914   86.485   35.812  168.242   67.536 -81.75734 76.44394 
1 1 1   30   38    4 o  155.670   42.413   0.5321   0.3858   0.5135   0.4210   0.6296   0.9632  139.480   48.235  171.859   69.776 -32.37894 84.82513 
1 1 1   30   38    6 o  206.690   52.772   1.1706   0.7483   0.5535   1.0039   1.9418   1.1223  169.948   70.354  243.431   78.677 -73.48318 105.5448 
1 1 1   30   38    8 o  134.115   37.893   0.3742   0.3088   0.4242   0.3288   0.0000   0.8996  126.598   42.650  141.632   62.647 -15.03384 75.78683 
1 1 1   30   38   10 o  274.912   40.604   1.1819   0.4625   0.6424   0.4968   4.6856   1.2661  152.779   52.422  397.045   62.022 -244.2655 81.20834 
1 1 1   30   38   12 o  165.956   41.286   0.7693   0.3244   0.8231   0.3356   0.0000   1.2698  170.420   39.126  161.492   72.714 8.928162 82.57244 
1 1 1   30   38   14 o  178.505   42.234   0.8877   0.3351   0.9069   0.3500   0.6774   1.1599  178.768   39.162  178.243   74.842 0.5243378 84.46880 
1 1 1   30   39    1 o  362.786   66.622   4.0517   1.1968   4.0517   1.1968   0.0000   0.0000  362.786   66.622  ?   ?       ?      ? 
1 1 1   30   39    3 o  173.487   47.814   0.5961   0.4717   0.4742   0.5126   1.2697   1.2051  140.210   52.581  206.764   79.875 -66.55437 95.62847 
1 1 1   30   39    5 o  146.306   34.180   0.5907   0.2986   0.5414   0.4090   0.6471   0.4368  141.016   47.570  151.596   49.093 -10.58058 68.35959 
1 1 1   30   39    7 o  251.423   51.471   1.5316   0.5929   1.1130   0.6581   3.3349   1.3659  191.875   60.043  310.970   83.618 -119.0952 102.9425 
1 1 1   30   39    9 o  260.953   55.133   2.0786   0.6679   1.9438   0.7351   2.7167   1.5991  253.271   57.735  268.634   93.943 -15.36285 110.2659 
1 1 1   30   39   11 o  202.102   48.103   0.9113   0.4237   0.7558   0.4514   2.0621   1.2280  161.215   49.611  242.988   82.427 -81.77292 96.20528 
1 1 1   30   40    0 o  108.435   45.599   0.4012   0.3488   0.4468   0.3681   0.0000   1.0916  105.388   53.827  111.482   73.619 -0.000000 0.000000 
1 1 1   30   40    2 o  207.964   52.324   1.1433   0.5723   0.9800   0.6295   1.9209   1.3737  181.024   58.954  234.904   86.462 -53.88010 104.6488 
1 1 1   30   40    4 o  165.476   38.229   0.7739   0.3904   1.0858   0.5528   0.4638   0.5513  190.223   54.008  140.730   54.119 49.49229 76.45795 
1 1 1   30   40    6 o  115.961   28.475   0.3231   0.2223   0.5170   0.3040   0.1001   0.3260  135.455   40.512   96.467   40.026 38.98746 56.95006 
1 1 1   31    0    1 o  1015.47   74.307   27.503   3.8317   27.503   3.8317   0.0000   0.0000  1015.47   74.307  1015.47   74.307 -0.000000 0.000000 
1 1 1   31    0    3 o  175.790   85.584   1.2007   0.9094   1.2007   0.9094   0.0000   0.0000  175.790   85.584  175.790   85.584 -0.000000 0.000000 
1 1 1   31    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   13 o  318.692   80.508   3.1248   1.1407   3.1248   1.1407   0.0000   0.0000  318.692   80.508  318.692   80.508 -0.000000 0.000000 
1 1 1   31    0   15 o  395.361   70.632   4.4722   1.2992   4.4722   1.2992   0.0000   0.0000  395.361   70.632  395.361   70.632 -0.000000 0.000000 
1 1 1   31    0   17 o  391.052   62.738   4.6784   1.0474   4.8070   1.3082   4.4489   1.7479  412.658   66.947  369.444  106.124 -0.000000 0.000000 
1 1 1   31    0   19 o  492.309   63.318   7.2692   1.3308   6.4112   2.2121   7.7558   1.6659  452.505  109.709  532.113   63.252 0.000000 0.000000 
1 1 1   31    0   21 o  540.276   64.688   9.0013   1.4513   6.7880   2.3654   10.337   1.8379  461.849  115.135  618.703   59.011 0.000000 0.000000 
1 1 1   31    0   23 o  122.897   49.936   0.2215   0.4208   1.1287   0.9499   0.0000   0.4694  168.090   86.332   77.704   50.213 0.000000 0.000000 
1 1 1   31    0   25 o  447.363   55.879   5.6435   1.1163   4.1407   1.4514   7.8196   1.7466  364.274   89.492  530.451   66.941 -0.000000 0.000000 
1 1 1   31    0   27 o   90.714   40.246   0.1602   0.3494   0.2081   0.3983   0.0000   0.7284   85.502   51.092   95.926   62.197 -0.000000 0.000000 
1 1 1   31    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   31 o  171.199   58.616   1.0611   0.6046   0.7004   0.7592   1.6865   0.9995  134.990   74.701  207.407   90.349 -0.000000 0.000000 
1 1 1   31    0   33 o  236.617   65.897   2.1349   0.7711   2.0117   1.2408   2.2124   0.9842  221.710  100.680  251.525   85.049 0.000000 0.000000 
1 1 1   31    0   35 o  104.934   45.915   0.2653   0.4337   0.2570   0.4987   0.2914   0.8787   94.397   56.785  115.471   72.168 -0.000000 0.000000 
1 1 1   31    0   37 o  297.585   52.614   2.8267   0.8475   5.7075   1.3197   0.8052   1.1055  448.673   60.266  146.497   86.260 0.000000 0.000000 
1 1 1   31    0   39 o  110.986   46.077   0.3861   0.4139   0.6193   0.7415   0.2806   0.4988  126.636   72.354   95.337   57.073 0.000000 0.000000 
1 1 1   31    0   41 o  121.380   68.122   0.5865   0.6418   0.0000   0.0000   0.5865   0.6418  121.380   68.122  121.380   68.122 0.000000 0.000000 
1 1 1   31    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1    2 o  359.326   84.052   3.6355   1.5251   3.6355   1.5251   0.0000   0.0000  359.326   84.052  ?   ?       ?      ? 
1 1 1   31    1    4 o  203.112   48.685   0.9586   0.6315   0.4648   0.8691   1.5108   0.9190  170.413   67.246  235.811   70.419 -65.39864 97.36954 
1 1 1   31    1    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1    8 f  574.386   63.253   8.7788   1.8679   0.0000   0.0000   8.7788   1.8679  ?   ?   574.386   63.253      ?      ? 
1 1 1   31    1   10 o  409.341   62.409   4.4623   1.3134   0.0000   0.0000   4.4623   1.3134  ?   ?   409.341   62.409      ?      ? 
1 1 1   31    1   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   16 o  467.397   43.255   5.8630   1.0367   5.3861   1.4655   6.3406   1.4666  447.543   63.692  487.250   58.544 -39.70639 86.51073 
1 1 1   31    1   18 o  777.334   42.211   17.541   1.5380   21.444   1.9812   11.623   2.4398  903.258   42.663  651.411   72.849 251.8470 84.42226 
1 1 1   31    1   20 o  444.630   35.457   5.2615   0.8068   4.6606   1.1325   5.8811   1.1498  418.049   52.689  471.210   47.463 -53.16052 70.91467 
1 1 1   31    1   22 o  228.308   40.255   1.4412   0.4810   1.9233   0.6998   1.0093   0.6623  263.736   53.444  192.881   60.214 70.85483 80.51079 
1 1 1   31    1   24 o  604.222   33.700   9.7357   1.0436   8.8130   1.4662   10.683   1.4858  574.266   49.660  634.179   45.571 -59.91199 67.40092 
1 1 1   31    1   26 o  160.186   36.429   0.6782   0.3422   0.7626   0.4799   0.5909   0.4880  167.638   51.072  152.734   51.962 14.90428 72.85852 
1 1 1   31    1   28 o  169.248   66.578   0.5412   0.8494   0.5412   0.8494   0.0000   0.0000  169.248   66.578  ?   ?       ?      ? 
1 1 1   31    1   30 o  119.862   37.485   0.0000   0.3234   0.0000   0.3479   0.0000   0.8782   94.047   40.292  145.677   63.222 -51.63020 74.97039 
1 1 1   31    1   32 o  336.360   35.779   3.0787   0.6178   2.9103   0.8772   3.2445   0.8703  326.621   52.235  346.099   48.908 -19.47821 71.55758 
1 1 1   31    1   34 o  253.337   38.309   1.8252   0.4843   2.0780   0.6981   1.5907   0.6725  271.468   51.912  235.205   56.350 36.26265 76.61719 
1 1 1   31    1   36 o  267.902   37.952   2.1333   0.5262   3.3932   0.7452   0.8801   0.7433  354.925   40.839  180.879   63.982 174.0464 75.90423 
1 1 1   31    1   38 o  393.934   37.565   4.4501   0.7207   3.3835   1.0229   5.5010   1.0154  339.303   60.877  448.566   44.030 -109.2638 75.13051 
1 1 1   31    1   40 o  267.851   54.969   2.2877   0.7889   2.7491   1.2569   1.9878   1.0133  286.908   81.428  248.795   73.863 38.11285 109.9380 
1 1 1   31    1   42 o  141.397   37.127   0.4807   0.3861   0.0000   0.6446   0.7496   0.4822  121.757   53.475  161.036   51.518 -39.27914 74.25456 
1 1 1   31    2    1 o  858.884   53.825   19.867   2.3662   17.625   3.3163   22.193   3.3772  807.519   79.879  910.249   72.166 -102.7293 107.6504 
1 1 1   31    2    3 o  378.227   47.943   3.8247   0.8621   4.0444   1.4909   3.7143   1.0567  380.892   78.736  375.561   54.726 5.330383 95.88660 
1 1 1   31    2    5 o  1041.55   42.887   28.804   2.1705   28.541   3.7195   28.940   2.6728  1032.76   70.052  1050.35   49.495 -17.59351 85.77307 
1 1 1   31    2    7 o  205.133   44.523   1.1139   0.5446   0.5674   0.8127   1.5594   0.7336  172.178   65.827  238.088   59.967 -65.91017 89.04627 
1 1 1   31    2    9 o  828.898   43.897   18.178   1.8646   20.320   2.7444   16.341   2.5413  874.475   61.042  783.322   63.102 91.15344 87.79499 
1 1 1   31    2   11 o  616.133   39.257   9.8165   1.2058   10.980   2.0060   9.1583   1.5088  642.321   60.744  589.944   49.747 52.37726 78.51469 
1 1 1   31    2   13 o  282.809   49.350   2.4171   0.6893   1.4673   1.3482   2.7532   0.8020  242.161   86.116  323.457   48.227 -81.29539 98.70051 
1 1 1   31    2   15 o  269.415   57.053   2.0202   0.8707   2.5559   1.2305   1.4831   1.2322  299.810   78.799  239.020   82.528 60.78996 114.1055 
1 1 1   31    2   17 o  302.694   54.343   2.5041   0.8146   0.0000   0.0000   2.5041   0.8146  ?   ?   302.694   54.343      ?      ? 
1 1 1   31    2   19 o  319.008   44.347   2.9476   0.6935   3.5934   0.9133   2.0681   1.0658  368.380   48.222  269.636   74.438 98.74469 88.69326 
1 1 1   31    2   21 o  225.734   43.304   1.4210   0.5145   1.3424   0.7038   1.5113   0.7540  219.340   60.464  232.127   62.007 -12.78731 86.60732 
1 1 1   31    2   23 o  242.039   53.726   1.6293   0.6511   1.6293   0.6511   0.0000   0.0000  242.039   53.726  ?   ?       ?      ? 
1 1 1   31    2   25 o  479.042   33.995   6.1280   0.8361   6.5414   1.1913   5.7266   1.1738  495.447   46.769  462.637   49.349 32.80994 67.99001 
1 1 1   31    2   27 o  370.544   52.655   4.0099   0.9562   3.6394   1.5334   4.2457   1.2231  347.458   86.240  393.629   60.437 -46.17136 105.3095 
1 1 1   31    2   29 o  357.669   36.244   3.4506   0.6648   3.1295   0.9216   3.7989   0.9599  339.839   52.747  375.500   49.723 -35.66095 72.48895 
1 1 1   31    2   31 o  220.070   41.266   1.2719   0.5010   2.1523   0.7797   0.6525   0.6539  275.680   56.896  164.459   59.787 111.2213 82.53268 
1 1 1   31    2   33 o  472.576   34.183   6.0611   0.8304   6.0741   1.1662   6.0477   1.1827  473.303   47.925  471.849   48.754 1.454224 68.36502 
1 1 1   31    2   35 f  155.246   42.032   0.4398   0.4035   0.8312   0.8581   0.3287   0.4573  182.426   68.106  128.066   49.278 54.35977 84.06397 
1 1 1   31    2   37 o  206.652   40.929   1.2504   0.4522   1.2740   0.6341   1.2259   0.6450  208.672   57.341  204.633   58.420 4.039215 81.85897 
1 1 1   31    2   39 f  414.486   51.773   5.6091   0.9550   4.4077   1.7002   6.1628   1.1542  357.833   91.929  471.139   47.651 -113.3059 103.5454 
1 1 1   31    2   41 o  163.394   43.341   0.6849   0.4601   0.6911   0.5401   0.6684   0.8785  157.917   54.631  168.871   67.299 -10.95389 86.68196 
1 1 1   31    3    0 o  341.532   64.952   3.3454   1.0206   3.3454   1.0206   0.0000   0.0000  341.532   64.952  341.532   64.952 0.000000 0.000000 
1 1 1   31    3    2 o  256.060   42.094   1.8137   0.5506   2.2811   0.7757   1.3390   0.7817  290.087   53.998  222.033   64.590 68.05391 84.18795 
1 1 1   31    3    4 o  172.317   39.726   0.7625   0.4047   0.6588   0.6169   0.8409   0.5361  166.651   58.346  177.983   53.930 -11.33195 79.45245 
1 1 1   31    3    6 o  760.819   46.497   15.429   1.8129   15.437   2.6714   15.422   2.4683  759.896   68.378  761.741   63.025 -1.844360 92.99316 
1 1 1   31    3    8 o  711.671   46.110   13.805   1.6447   10.863   2.3979   16.418   2.2602  634.992   73.450  788.350   55.765 -153.3580 92.22047 
1 1 1   31    3   10 o  242.298   47.058   1.6399   0.6142   1.2517   0.9112   1.9631   0.8315  218.046   70.926  266.551   61.866 -48.50444 94.11626 
1 1 1   31    3   12 o  458.870   35.004   5.5675   0.8137   6.7801   1.1692   4.4283   1.1332  508.544   44.719  409.196   53.864 99.34778 70.00795 
1 1 1   31    3   14 o  393.588   39.793   3.9712   0.7855   4.7891   1.2966   3.4970   0.9873  423.709   59.519  363.468   52.835 60.24045 79.58689 
1 1 1   31    3   16 o  187.777   45.300   0.7646   0.4614   0.6215   0.5266   1.2367   0.9569  158.357   53.978  217.196   72.765 -58.83945 90.60007 
1 1 1   31    3   18 o  739.104   80.479   15.178   3.0581   0.0000   0.0000   15.178   3.0581  ?   ?   739.104   80.479      ?      ? 
1 1 1   31    3   20 o  206.445   49.478   0.9461   0.5237   1.5128   1.1882   0.8095   0.5835  237.503   81.077  175.388   56.733 62.11523 98.95499 
1 1 1   31    3   22 o  225.619   49.695   1.4491   0.6427   1.0080   1.0930   1.6823   0.7947  207.043   76.949  244.196   62.908 -37.15372 99.39091 
1 1 1   31    3   24 o  223.410   41.925   1.4373   0.4963   1.6933   0.6508   1.0816   0.7671  246.839   52.876  199.981   65.077 46.85791 83.85037 
1 1 1   31    3   26 o  581.530   48.277   9.0785   1.3947   12.983   2.1759   6.3556   1.8171  688.287   61.489  474.773   74.442 213.5141 96.55328 
1 1 1   31    3   28 o  134.007   33.480   0.3728   0.3152   0.6953   0.4304   0.0000   0.4628  159.961   48.288  108.052   46.389 51.90871 66.96020 
1 1 1   31    3   30 o  480.850   34.623   6.2210   0.8548   5.9794   1.1717   6.4959   1.2497  471.163   48.370  490.538   49.553 -19.37564 69.24680 
1 1 1   31    3   32 o  409.220   46.409   5.0822   0.8735   3.7238   1.4214   5.9066   1.1073  350.171   80.622  468.269   45.992 -118.0984 92.81789 
1 1 1   31    3   34 o  171.460   37.042   0.8144   0.3595   0.6788   0.5037   0.9551   0.5132  159.177   52.780  183.743   51.988 -24.56602 74.08399 
1 1 1   31    3   36 o  383.166   35.250   4.0906   0.6801   4.9537   0.9585   3.2156   0.9651  427.371   43.625  338.962   55.381 88.40961 70.50012 
1 1 1   31    3   38 o  421.655   48.603   5.3846   0.9533   5.0838   1.6348   5.5395   1.1734  398.026   82.596  445.284   51.254 -47.25839 97.20642 
1 1 1   31    3   40 o  209.758   38.826   1.3324   0.4557   1.8975   0.6248   0.6896   0.6663  256.830   49.104  162.687   60.156 94.14265 77.65245 
1 1 1   31    3   42 o  194.227   48.085   1.0197   0.5876   0.6178   0.7344   1.7344   0.9795  159.038   62.100  229.415   73.431 -70.37747 96.16915 
1 1 1   31    4    1 o  546.599   44.481   7.6693   1.1973   7.0731   1.4704   8.8425   2.0627  518.096   55.204  575.104   69.762 -57.00800 88.96203 
1 1 1   31    4    3 o  582.439   53.211   8.9259   1.5934   8.9259   1.5934   0.0000   0.0000  582.439   53.211  ?   ?       ?      ? 
1 1 1   31    4    5 o  257.624   40.799   1.8009   0.5268   2.1256   0.7833   1.5326   0.7119  279.066   56.529  236.181   58.845 42.88438 81.59853 
1 1 1   31    4    7 o  221.474   46.844   1.3155   0.5730   1.4827   0.8584   1.1811   0.7695  232.840   67.671  210.108   64.793 22.73198 93.68812 
1 1 1   31    4    9 o  636.816   44.396   10.830   1.4434   10.554   2.1547   11.055   1.9441  627.992   66.737  645.640   58.569 -17.64819 88.79250 
1 1 1   31    4   11 o  608.050   40.172   9.7980   1.1991   9.8178   2.0178   9.7872   1.4908  605.739   64.793  610.362   47.508 -4.622864 80.34376 
1 1 1   31    4   13 o  563.217   33.757   8.3550   0.9765   8.0710   1.3950   8.6280   1.3675  553.468   49.023  572.966   46.421 -19.49786 67.51472 
1 1 1   31    4   15 o  224.938   39.585   1.3972   0.4618   1.7215   0.6566   1.0799   0.6495  250.533   52.648  199.342   59.126 51.19159 79.16945 
1 1 1   31    4   17 o  512.920   34.384   6.9556   0.9067   7.0685   1.2889   6.8450   1.2756  517.082   48.482  508.759   48.769 8.323547 68.76715 
1 1 1   31    4   19 o  301.042   57.134   2.4470   0.8584   2.0893   1.0395   3.2137   1.5219  270.982   72.982  331.102   87.925 -60.11972 114.2677 
1 1 1   31    4   21 o  449.666   44.768   5.1108   0.9506   6.5187   1.8106   4.5751   1.1168  485.569   72.529  413.762   52.501 71.80731 89.53649 
1 1 1   31    4   23 f  311.602   48.053   2.7020   0.7048   2.9213   1.2647   2.6033   0.8489  316.524   78.179  306.680   55.899 9.844269 96.10698 
1 1 1   31    4   25 o  481.069   49.059   6.4280   1.1973   6.4716   1.8463   6.3964   1.5729  479.476   74.897  482.663   63.384 -3.186707 98.11835 
1 1 1   31    4   27 o  460.393   39.426   5.7392   0.9042   5.6842   1.1449   5.8302   1.4739  460.531   48.354  460.254   62.286 0.2771606 78.85248 
1 1 1   31    4   29 o  331.345   41.705   3.0509   0.6763   3.0300   0.8659   3.0835   1.0828  335.104   50.262  327.585   66.564 7.518280 83.40908 
1 1 1   31    4   31 o  440.323   49.866   5.5924   0.9669   5.6245   1.1370   5.5085   1.8379  456.333   48.464  424.313   87.166 32.01965 99.73267 
1 1 1   31    4   33 o  167.156   41.929   0.7174   0.4531   0.5148   0.7339   0.8422   0.5761  159.261   62.107  175.050   56.345 -15.78946 83.85756 
1 1 1   31    4   35 o  304.894   36.841   2.5974   0.5585   2.1201   0.7719   3.1221   0.8093  271.141   57.172  338.647   46.480 -67.50586 73.68204 
1 1 1   31    4   37 o  269.984   44.803   2.0365   0.5866   2.7119   1.0203   1.7030   0.7170  299.409   67.850  240.560   58.527 58.84869 89.60522 
1 1 1   31    4   39 o  236.313   46.108   1.7222   0.5719   1.7874   0.7266   1.6161   0.9274  244.899   58.508  227.728   71.277 17.17122 92.21517 
1 1 1   31    4   41 o  182.615   34.593   0.9029   0.3722   0.3015   0.5032   1.6299   0.5532  127.302   50.868  237.928   46.895 -110.6257 69.18626 
1 1 1   31    5    0 o  146.413   70.927   0.8260   0.6233   0.8260   0.6233   0.0000   0.0000  146.413   70.927  146.413   70.927 0.000000 0.000000 
1 1 1   31    5    2 o  334.373   40.708   3.0254   0.6768   2.5532   0.9665   3.4797   0.9480  304.722   63.741  364.023   50.652 -59.30084 81.41623 
1 1 1   31    5    4 o  704.241   36.246   13.104   1.3050   11.982   1.8887   14.129   1.8051  674.237   54.484  734.245   47.819 -60.00909 72.49277 
1 1 1   31    5    6 o  248.444   47.165   1.6104   0.6218   2.3442   0.9760   1.1090   0.8068  290.895   66.685  205.993   66.718 84.90167 94.33046 
1 1 1   31    5    8 o  543.003   44.878   7.7471   1.2434   8.8286   1.9058   6.9456   1.6406  575.231   64.442  510.776   62.476 64.45551 89.75576 
1 1 1   31    5   10 o  228.573   48.010   1.3547   0.5959   1.8061   0.9677   1.0790   0.7562  254.993   71.126  202.153   64.504 52.84007 96.01909 
1 1 1   31    5   12 o  426.720   37.971   4.9304   0.7722   6.8519   1.1239   3.2122   1.0628  511.545   42.733  341.896   62.777 169.6488 75.94103 
1 1 1   31    5   14 o  392.872   42.383   4.1984   0.7930   4.0940   1.3307   4.2559   0.9875  383.829   70.011  401.915   47.789 -18.08606 84.76632 
1 1 1   31    5   16 o  583.908   34.147   9.0050   1.0251   8.9555   1.4501   9.0544   1.4492  582.256   48.442  585.561   48.138 -3.304626 68.29305 
1 1 1   31    5   18 o  650.824   34.073   11.226   1.1385   10.745   1.6281   11.686   1.5925  636.562   49.748  665.086   46.574 -28.52380 68.14668 
1 1 1   31    5   20 o  269.302   54.465   1.6877   0.7735   0.9938   0.9221   3.3354   1.4209  200.184   71.215  338.421   82.428 -138.2366 108.9307 
1 1 1   31    5   22 o  266.831   43.770   1.7872   0.5626   2.7942   1.0143   1.3398   0.6762  314.848   64.823  218.812   58.832 96.03593 87.53950 
1 1 1   31    5   24 o  448.049   50.116   5.4658   1.0978   7.5969   1.7093   3.9698   1.4321  526.653   63.128  369.446   77.855 157.2068 100.2322 
1 1 1   31    5   26 o  292.137   46.570   2.4444   0.6446   2.2751   1.1913   2.5144   0.7666  277.879   79.416  306.394   48.663 -28.51532 93.13990 
1 1 1   31    5   28 o  228.573   50.029   1.4954   0.6423   1.3902   1.0285   1.5626   0.8224  223.722   75.438  233.424   65.733 -9.701950 100.0588 
1 1 1   31    5   30 o  459.694   40.911   5.8047   0.9218   5.7982   1.1464   5.8166   1.5505  463.952   48.062  455.437   66.218 8.514801 81.82169 
1 1 1   31    5   32 o  185.319   47.117   0.7024   0.4610   0.5672   0.5073   1.3438   1.1047  150.564   52.898  220.074   77.987 -69.50941 94.23455 
1 1 1   31    5   34 o  425.106   35.107   4.9648   0.7577   5.8740   1.0795   4.0818   1.0638  465.912   45.067  384.301   53.843 81.61035 70.21456 
1 1 1   31    5   36 o  214.549   40.607   1.3434   0.4567   1.3422   0.6562   1.3444   0.6360  214.284   58.100  214.815   56.745 -0.5308533 81.21327 
1 1 1   31    5   38 o  207.412   41.266   1.3155   0.4830   1.6917   0.6302   0.7798   0.7520  241.839   52.211  172.984   63.917 68.85495 82.53120 
1 1 1   31    5   40 o  139.251   39.205   0.3843   0.3503   0.3913   0.3863   0.3524   0.8302  126.572   45.962  151.930   63.526 -25.35841 78.40968 
1 1 1   31    5   42 o  208.579   47.817   1.3132   0.5220   1.2764   0.5880   1.4504   1.1346  205.492   54.690  211.665   78.453 -6.173004 95.63404 
1 1 1   31    6    1 o  292.220   48.834   2.4467   0.7071   2.6955   0.8841   2.0052   1.1779  315.103   56.657  269.337   79.555 45.76584 97.66846 
1 1 1   31    6    3 o  491.176   37.973   6.4131   0.9494   5.5852   1.3729   7.1720   1.3144  459.498   58.113  522.854   48.895 -63.35596 75.94600 
1 1 1   31    6    5 o  305.306   48.425   2.5025   0.6856   2.7669   1.2868   2.3977   0.8102  313.553   79.663  297.060   55.080 16.49310 96.85085 
1 1 1   31    6    7 o  229.098   47.730   1.4306   0.5926   1.4042   0.9430   1.4478   0.7619  228.718   71.924  229.479   62.766 -0.7610016 95.46016 
1 1 1   31    6    9 o  880.836   43.658   20.588   1.9647   21.375   2.9702   19.977   2.6196  894.270   64.602  867.401   58.742 26.86969 87.31561 
1 1 1   31    6   11 o  554.823   41.418   8.3632   1.1062   7.6373   1.8855   8.7441   1.3659  532.531   68.867  577.115   46.035 -44.58435 82.83677 
1 1 1   31    6   13 o  441.721   35.434   5.1323   0.8033   5.5359   1.1759   4.7793   1.0999  457.981   49.941  425.461   50.281 32.52005 70.86832 
1 1 1   31    6   15 o  436.907   35.037   5.0373   0.7856   5.4801   1.1338   4.6284   1.0895  455.620   48.402  418.195   50.671 37.42468 70.07330 
1 1 1   31    6   17 o  452.831   34.906   5.4584   0.8035   6.4304   1.1438   4.5113   1.1290  493.961   45.038  411.701   53.341 82.26047 69.81182 
1 1 1   31    6   19 o  386.189   40.215   4.2143   0.7296   5.8221   1.0279   2.5822   1.0356  470.198   42.520  302.179   68.271 168.0182 80.42981 
1 1 1   31    6   21 o  211.880   79.982   1.0265   1.1901   0.0000   0.0000   1.0265   1.1901  ?   ?   211.880   79.982      ?      ? 
1 1 1   31    6   23 o  182.123   38.471   0.9249   0.3954   1.1088   0.5105   0.6492   0.6251  199.942   49.842  164.304   58.615 35.63794 76.94107 
1 1 1   31    6   25 o  138.261   35.288   0.3962   0.3344   0.6681   0.4837   0.1471   0.4630  159.260   51.667  117.262   48.078 41.99794 70.57642 
1 1 1   31    6   27 o  500.562   42.691   6.6026   1.0389   7.7393   1.8424   6.0726   1.2580  526.614   68.050  474.509   51.567 52.10504 85.38165 
1 1 1   31    6   29 o  188.200   44.654   0.8808   0.4573   1.1209   0.9221   0.8025   0.5266  204.757   71.353  171.643   53.707 33.11365 89.30729 
1 1 1   31    6   31 o  355.231   48.239   3.4101   0.8810   3.4101   0.8810   0.0000   0.0000  355.231   48.239  ?   ?       ?      ? 
1 1 1   31    6   33 o  213.551   65.108   1.3200   0.7797   1.3200   0.7797   0.0000   0.0000  213.551   65.108  ?   ?       ?      ? 
1 1 1   31    6   35 o  334.028   35.566   3.0673   0.6103   2.8987   0.8492   3.2474   0.8776  324.264   50.936  343.791   49.652 -19.52744 71.13215 
1 1 1   31    6   37 o  208.245   55.166   1.2657   0.6000   1.2657   0.6000   0.0000   0.0000  208.245   55.166  ?   ?       ?      ? 
1 1 1   31    6   39 o  195.181   47.108   0.9498   0.4439   0.8638   0.4809   1.4455   1.1545  173.013   50.757  217.349   79.375 -44.33638 94.21593 
1 1 1   31    6   41 o  268.332   49.218   2.4368   0.6501   2.6102   0.7367   1.8267   1.3822  304.665   47.035  231.999   86.471 72.66597 98.43541 
1 1 1   31    7    0 o  922.194   52.873   22.338   2.4880   22.338   2.4880   0.0000   0.0000  922.194   52.873  922.194   52.873 0.000000 0.000000 
1 1 1   31    7    2 o  182.812   37.689   0.8233   0.4091   1.4115   0.6003   0.3130   0.5591  227.237   52.445  138.388   54.142 88.84857 75.37813 
1 1 1   31    7    4 o  346.802   38.617   3.1924   0.6687   3.7635   0.9873   2.7084   0.9088  378.321   50.759  315.284   58.212 63.03665 77.23392 
1 1 1   31    7    6 o  1065.04   39.525   27.529   2.0332   37.533   3.7387   23.328   2.4228  1188.17   61.202  941.904   50.032 246.2672 79.04970 
1 1 1   31    7    8 o  308.675   49.678   2.7044   0.7617   2.3698   1.2009   2.9296   0.9853  290.221   78.563  327.129   60.823 -36.90753 99.35539 
1 1 1   31    7   10 o  220.796   46.088   1.2450   0.5530   1.7631   0.9016   0.9326   0.7002  251.818   68.032  189.774   62.193 62.04381 92.17566 
1 1 1   31    7   12 f  391.560   41.166   3.8755   0.7935   4.8153   1.3828   3.4141   0.9689  423.877   63.454  359.244   52.460 64.63275 82.33162 
1 1 1   31    7   14 o  185.384   35.538   0.7986   0.3852   1.6215   0.6017   0.2275   0.5013  243.618   49.725  127.149   50.786 116.4689 71.07648 
1 1 1   31    7   16 o  975.461   33.926   25.146   1.7012   25.122   2.4266   25.169   2.3856  974.756   48.420  976.167   47.534 -1.410278 67.85294 
1 1 1   31    7   18 o  654.949   34.264   11.390   1.1486   12.683   1.6323   10.121   1.6164  692.894   45.821  617.004   50.956 75.89008 68.52785 
1 1 1   31    7   20 o  222.038   45.835   1.2854   0.5284   1.6947   0.9355   1.0936   0.6403  244.783   70.500  199.294   58.594 45.48894 91.67085 
1 1 1   31    7   22 o  445.359   62.515   5.4085   1.4314   5.4085   1.4314   0.0000   0.0000  445.359   62.515  ?   ?       ?      ? 
1 1 1   31    7   24 o  139.411   35.056   0.4470   0.3211   0.2981   0.4541   0.5959   0.4540  127.065   49.048  151.757   50.099 -24.69263 70.11139 
1 1 1   31    7   26 o  308.109   37.953   2.6059   0.5862   2.8657   0.8325   2.3504   0.8255  326.723   49.562  289.496   57.492 37.22678 75.90606 
1 1 1   31    7   28 o  866.931   32.761   20.107   1.4589   19.718   2.0145   20.535   2.1157  858.654   45.633  875.208   47.019 -16.55463 65.52180 
1 1 1   31    7   30 o  221.424   44.051   1.3689   0.5059   1.5516   0.8513   1.2691   0.6290  231.485   67.423  211.363   56.709 20.12273 88.10112 
1 1 1   31    7   32 o  433.204   42.308   5.1445   0.8954   5.5198   1.5410   4.9533   1.1002  439.927   68.134  426.482   50.176 13.44455 84.61642 
1 1 1   31    7   34 o  357.288   72.235   3.8252   1.2813   3.8252   1.2813   0.0000   0.0000  357.288   72.235  ?   ?       ?      ? 
1 1 1   31    7   36 o  151.449   58.389   0.4997   0.6430   0.4997   0.6430   0.0000   0.0000  151.449   58.389  ?   ?       ?      ? 
1 1 1   31    7   38 o  177.704   41.040   0.4711   0.3997   0.1127   0.4492   1.8323   0.8755  111.451   46.676  243.956   67.516 -132.5050 82.07973 
1 1 1   31    7   40 o  175.470   40.883   0.6700   0.3914   0.4013   0.4504   1.4985   0.7908  131.193   49.269  219.746   65.256 -88.55276 81.76655 
1 1 1   31    8    1 o  544.197   37.591   7.7927   1.0505   8.3521   1.5156   7.2756   1.4573  563.166   52.345  525.228   53.966 37.93750 75.18193 
1 1 1   31    8    3 o  745.600   36.603   14.824   1.3833   13.027   2.0488   16.329   1.8752  701.748   56.787  789.452   46.200 -87.70361 73.20660 
1 1 1   31    8    5 o  145.020   38.236   0.4434   0.3409   0.2720   0.7361   0.4902   0.3846  150.293   61.006  139.747   46.111 10.54602 76.47154 
1 1 1   31    8    7 o  209.553   46.330   1.1809   0.5467   1.0377   0.9047   1.2633   0.6863  204.301   70.705  214.804   59.890 -10.50331 92.66059 
1 1 1   31    8    9 o  439.421   45.620   5.0409   1.0166   6.0051   1.6069   4.3974   1.3128  473.162   66.054  405.680   62.941 67.48199 91.23994 
1 1 1   31    8   11 o  298.884   46.798   2.5905   0.6679   2.0264   1.2036   2.8414   0.8029  269.171   80.633  328.597   47.523 -59.42590 93.59574 
1 1 1   31    8   13 f  518.732   35.197   7.0940   0.9286   8.5582   1.3525   5.7884   1.2772  570.257   46.133  467.208   53.171 103.0487 70.39483 
1 1 1   31    8   15 o  306.303   38.867   2.5275   0.5938   3.0860   0.8704   2.0409   0.8123  341.495   49.572  271.111   59.876 70.38379 77.73409 
1 1 1   31    8   17 o  157.021   38.517   0.4542   0.3412   0.9926   0.6962   0.2840   0.3915  193.042   61.921  120.999   45.826 72.04282 77.03360 
1 1 1   31    8   19 o  244.516   50.120   1.6486   0.6448   1.8262   1.0904   1.5530   0.7996  253.908   76.904  235.125   64.296 18.78278 100.2407 
1 1 1   31    8   21 o  198.315   39.967   1.1081   0.4552   1.5181   0.6023   0.5617   0.6953  234.118   51.440  162.513   61.182 71.60472 79.93336 
1 1 1   31    8   23 o  261.180   57.485   1.9672   0.8214   2.0259   0.9863   1.8342   1.4841  265.229   70.944  257.130   90.470 8.099274 114.9691 
1 1 1   31    8   25 f  217.937   39.985   1.3340   0.4534   1.4986   0.6488   1.1770   0.6338  230.938   55.365  204.936   57.705 26.00127 79.96941 
1 1 1   31    8   27 o  448.737   34.740   5.4748   0.7909   6.1425   1.0865   4.7222   1.1535  480.115   44.017  417.360   53.757 62.75525 69.47940 
1 1 1   31    8   29 o  157.173   35.429   0.6427   0.3374   0.9112   0.4722   0.3625   0.4824  180.783   49.401  133.563   50.798 47.21986 70.85849 
1 1 1   31    8   31 o  353.819   52.340   3.8294   0.8240   4.0064   0.9562   3.3190   1.6237  384.728   48.343  322.909   92.848 61.81961 104.6798 
1 1 1   31    8   33 o  224.804   55.213   1.3461   0.7260   1.1375   0.8629   1.8516   1.3435  201.794   69.092  247.814   86.140 -46.02017 110.4255 
1 1 1   31    8   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    8   37 o  144.536   49.313   0.5529   0.4395   0.5529   0.4395   0.0000   0.0000  144.536   49.313  ?   ?       ?      ? 
1 1 1   31    8   39 o  234.958   54.201   1.6269   0.6414   1.6269   0.6414   0.0000   0.0000  234.958   54.201  ?   ?       ?      ? 
1 1 1   31    8   41 o  413.028   44.136   4.6491   0.8708   3.8842   1.0275   6.6001   1.6409  365.508   54.676  460.548   69.301 -95.04013 88.27277 
1 1 1   31    9    0 o  416.874  100.701   5.3323   1.8711   5.3323   1.8711   0.0000   0.0000  416.874  100.701  416.874  100.701 0.000000 0.000000 
1 1 1   31    9    2 f  547.615   46.387   7.4537   1.2324   6.4399   1.4773   9.7745   2.2350  492.868   58.299  602.362   72.170 -109.4945 92.77487 
1 1 1   31    9    4 o  238.922   50.479   1.6365   0.6513   1.8652   0.7579   0.9903   1.2737  260.443   58.081  217.400   82.579 43.04347 100.9587 
1 1 1   31    9    6 o  256.651   55.606   1.7995   0.8006   1.6553   1.0800   1.9755   1.1930  246.473   76.882  266.828   80.358 -20.35529 111.2125 
1 1 1   31    9    8 o  357.951   78.650   3.6160   1.4079   3.6160   1.4079   0.0000   0.0000  357.951   78.650  ?   ?       ?      ? 
1 1 1   31    9   10 o  394.135   46.954   4.0967   0.9164   5.2807   1.4449   3.2999   1.1853  444.012   63.298  344.258   69.369 99.75391 93.90784 
1 1 1   31    9   12 o  374.142   44.952   3.8611   0.7833   3.6863   1.3670   3.9465   0.9558  361.389   75.986  386.896   48.053 -25.50662 89.90482 
1 1 1   31    9   14 o  726.594   34.423   13.968   1.2836   13.640   1.8581   14.267   1.7753  717.744   50.352  735.443   46.953 -17.69867 68.84688 
1 1 1   31    9   16 o  158.117   38.427   0.5217   0.3575   0.9256   0.6522   0.3482   0.4274  186.846   59.931  129.388   48.111 57.45815 76.85331 
1 1 1   31    9   18 o  251.351   49.087   1.8192   0.6534   1.5237   1.0541   2.0036   0.8327  235.389   76.266  267.313   61.819 -31.92435 98.17353 
1 1 1   31    9   20 o  194.744   36.720   1.0527   0.3930   0.6147   0.5665   1.4590   0.5457  159.044   55.899  230.444   47.632 -71.39983 73.44034 
1 1 1   31    9   22 o  313.833   37.546   2.6778   0.5888   2.2970   0.8138   3.0961   0.8530  287.052   57.152  340.614   48.708 -53.56198 75.09236 
1 1 1   31    9   24 o  273.583   55.304   1.8067   0.7800   1.1693   0.9217   3.4150   1.4641  209.055   71.411  338.110   84.467 -129.0555 110.6084 
1 1 1   31    9   26 o  466.740   34.929   5.9162   0.8276   6.4934   1.1266   5.2395   1.2198  493.685   44.386  439.794   53.945 53.89117 69.85884 
1 1 1   31    9   28 o  356.073   42.798   2.8752   0.6902   2.1103   0.7898   5.3483   1.4201  273.007   58.054  439.138   62.901 -166.1308 85.59644 
1 1 1   31    9   30 o  160.200   40.101   0.6545   0.4290   0.8947   0.5016   0.0000   0.8279  179.051   51.641  141.349   61.365 37.70279 80.20232 
1 1 1   31    9   32 o  167.921   41.177   0.5966   0.3945   0.4072   0.4577   1.1444   0.7785  134.594   49.839  201.248   65.562 -66.65463 82.35482 
1 1 1   31    9   34 o  479.521   66.362   6.6269   1.6361   6.6269   1.6361   0.0000   0.0000  479.521   66.362  ?   ?       ?      ? 
1 1 1   31    9   36 o  225.110   52.070   1.1371   0.6884   0.4832   0.8191   2.7100   1.2704  160.127   64.578  290.092   81.700 -129.9653 104.1404 
1 1 1   31    9   38 o  373.139   73.164   4.3397   1.3534   4.3397   1.3534   0.0000   0.0000  373.139   73.164  ?   ?       ?      ? 
1 1 1   31    9   40 o  153.693   44.704   0.6747   0.3745   0.6747   0.3745   0.0000   0.0000  153.693   44.704  ?   ?       ?      ? 
1 1 1   31   10    1 o  296.899   50.249   2.4148   0.7071   2.5419   1.3068   2.3622   0.8409  299.961   82.270  293.838   57.719 6.122955 100.4981 
1 1 1   31   10    3 o  444.482   37.064   5.2482   0.8353   4.9644   1.2704   5.4644   1.1087  432.760   57.099  456.204   47.272 -23.44449 74.12770 
1 1 1   31   10    5 o  286.862   46.785   2.1359   0.6111   2.6260   1.2076   1.9672   0.7085  305.169   76.977  268.554   53.196 36.61542 93.56927 
1 1 1   31   10    7 o  477.957   51.892   6.5412   1.1613   5.3123   1.8925   7.2834   1.4707  431.433   88.296  524.481   54.542 -93.04822 103.7836 
1 1 1   31   10    9 o  249.077   47.450   1.6525   0.6066   2.0876   1.0008   1.3998   0.7627  272.833   70.750  225.320   63.248 47.51337 94.89936 
1 1 1   31   10   11 o  297.612   51.843   2.1632   0.8301   0.9769   1.0413   4.2314   1.3749  205.497   75.331  389.726   71.245 -184.2285 103.6854 
1 1 1   31   10   13 o  280.481   47.336   2.1195   0.6235   2.4107   1.1723   2.0046   0.7362  290.959   77.122  270.003   54.908 20.95630 94.67133 
1 1 1   31   10   15 o  392.591   48.956   4.0171   0.9406   5.3040   1.5897   3.3237   1.1668  440.785   70.147  344.397   68.310 96.38776 97.91229 
1 1 1   31   10   17 o  453.561   39.451   5.5855   0.8978   5.9246   1.1741   5.1080   1.3934  472.660   48.314  434.461   62.380 38.19843 78.90173 
1 1 1   31   10   19 o  459.736   34.058   5.6311   0.8017   5.0628   1.1339   6.1990   1.1336  435.699   50.621  483.774   45.577 -48.07510 68.11572 
1 1 1   31   10   21 o  298.991   38.808   2.5283   0.5690   3.2320   0.7860   1.7537   0.8247  349.341   43.761  248.641   64.102 100.7004 77.61543 
1 1 1   31   10   23 o  741.639   34.891   15.027   1.2936   18.433   1.8007   11.394   1.8597  834.410   41.976  648.868   55.745 185.5419 69.78180 
1 1 1   31   10   25 o  340.090   59.321   3.0571   0.9566   2.4257   1.1248   4.7083   1.8188  287.485   75.228  392.696   91.743 -105.2108 118.6425 
1 1 1   31   10   27 o  376.698   53.461   3.7996   0.8233   3.5871   0.9152   4.7009   1.8847  365.208   48.743  388.188   95.166 -22.97943 106.9227 
1 1 1   31   10   29 o  457.078   50.008   5.8336   0.9772   5.6789   1.1228   6.3164   1.9838  459.130   47.567  455.025   87.980 4.104431 100.0156 
1 1 1   31   10   31 o  218.600   45.922   1.1572   0.4978   0.8878   0.5725   1.9925   1.0082  178.889   56.006  258.310   72.792 -79.42096 91.84408 
1 1 1   31   10   33 o  307.544   70.339   2.8333   1.0880   2.8333   1.0880   0.0000   0.0000  307.544   70.339  ?   ?       ?      ? 
1 1 1   31   10   35 o  172.702   47.515   0.6057   0.4094   0.5865   0.4299   0.7932   1.3434  147.718   48.749  197.685   81.573 -49.96724 95.02964 
1 1 1   31   10   37 o  329.863   49.976   3.1057   0.8760   1.4706   1.1261   5.6122   1.3942  220.046   78.655  439.680   61.676 -219.6332 99.95207 
1 1 1   31   10   39 o  362.957   49.199   4.0858   0.7933   4.1163   0.9302   4.0044   1.5194  383.819   47.137  342.095   86.372 41.72470 98.39758 
1 1 1   31   10   41 o  145.777   41.420   0.6065   0.3250   0.6065   0.3250   0.0000   0.0000  145.777   41.420  ?   ?       ?      ? 
1 1 1   31   11    0 o  382.253   56.383   4.0447   1.0373   0.0000   0.0000   4.0447   1.0373  382.253   56.383  382.253   56.383 -0.000000 0.000000 
1 1 1   31   11    2 o  207.931   38.869   1.1979   0.4241   1.0055   0.6360   1.3519   0.5691  193.602   58.758  222.260   50.900 -28.65729 77.73839 
1 1 1   31   11    4 o  450.342   48.565   5.3319   1.0733   5.8903   1.8470   5.0472   1.3188  465.049   77.248  435.636   58.882 29.41275 97.13056 
1 1 1   31   11    6 o  277.445   50.283   2.1626   0.6937   2.0711   1.2080   2.2076   0.8473  271.994   80.623  282.896   60.112 -10.90222 100.5659 
1 1 1   31   11    8 o  241.720   60.015   1.6186   0.7424   0.0000   0.0000   1.6186   0.7424  ?   ?   241.720   60.015      ?      ? 
1 1 1   31   11   10 o  597.528   57.933   9.5212   1.7797   0.0000   0.0000   9.5212   1.7797  ?   ?   597.528   57.933      ?      ? 
1 1 1   31   11   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   11   14 o  335.427   47.924   3.1270   0.7911   3.3388   1.2156   2.9715   1.0420  344.207   71.046  326.647   64.337 17.55969 95.84791 
1 1 1   31   11   16 o  909.901   34.366   21.943   1.5989   25.067   2.3049   19.045   2.2199  973.729   46.041  846.072   51.033 127.6564 68.73258 
1 1 1   31   11   18 o  304.555   37.298   2.5129   0.5677   2.9154   0.8213   2.1445   0.7857  331.252   48.223  277.858   56.913 53.39340 74.59566 
1 1 1   31   11   20 o  254.997   50.553   1.8880   0.6255   1.9724   0.7077   1.5868   1.3368  266.884   53.442  243.110   85.826 23.77361 101.1052 
1 1 1   31   11   22 o  195.770   47.816   0.8664   0.4535   0.8100   0.4902   1.2013   1.1942  172.314   51.425  219.227   80.628 -46.91292 95.63161 
1 1 1   31   11   24 o  617.047   46.369   9.6159   1.2499   8.8450   1.4108   12.428   2.6944  575.003   47.724  659.091   79.515 -84.08783 92.73723 
1 1 1   31   11   26 o  269.473   51.987   1.4420   0.7526   0.5025   0.8774   4.0568   1.4638  168.722   67.253  370.224   79.294 -201.5015 103.9732 
1 1 1   31   11   28 o  434.831   57.023   5.9713   0.9908   6.2785   1.1190   4.8563   2.1319  484.200   44.952  385.462  104.813 98.73837 114.0459 
1 1 1   31   11   30 o  287.247   47.667   1.9235   0.6118   1.4321   0.6925   3.6711   1.3061  223.224   59.327  351.270   74.625 -128.0465 95.33421 
1 1 1   31   11   32 o  147.449   49.297   0.5718   0.4392   0.5718   0.4392   0.0000   0.0000  147.449   49.297  ?   ?       ?      ? 
1 1 1   31   11   34 o  222.498   46.272   1.3197   0.4448   1.2677   0.4804   1.6314   1.1773  212.309   45.390  232.687   80.649 -20.37764 92.54475 
1 1 1   31   11   36 o  190.847   44.616   0.9812   0.4634   0.8937   0.5385   1.2310   0.9102  176.702   54.152  204.991   70.921 -28.28911 89.23122 
1 1 1   31   11   38 o  166.966   42.097   0.7152   0.4033   0.6820   0.4578   0.8300   0.8523  155.932   50.231  178.000   67.567 -22.06819 84.19314 
1 1 1   31   11   40 o  130.795   37.039   0.3104   0.3143   0.2858   0.3495   0.4147   0.7189  114.162   43.284  147.428   60.117 -33.26582 74.07787 
1 1 1   31   12    1 o  224.660   43.531   1.3069   0.5268   1.9496   0.8231   0.8611   0.6855  265.333   61.534  183.987   61.591 81.34532 87.06236 
1 1 1   31   12    3 o  433.139   50.682   5.2088   1.0415   4.9314   1.7464   5.3619   1.2975  416.768   84.397  449.510   56.143 -32.74158 101.3650 
1 1 1   31   12    5 o  234.195   52.566   1.5050   0.6174   0.0000   0.0000   1.5050   0.6174  ?   ?   234.195   52.566      ?      ? 
1 1 1   31   12    7 o  626.912   45.702   10.331   1.4730   0.0000   0.0000   10.331   1.4730  ?   ?   626.912   45.702      ?      ? 
1 1 1   31   12    9 o  109.027   40.921   0.2339   0.3106   0.0000   0.0000   0.2339   0.3106  ?   ?   109.027   40.921      ?      ? 
1 1 1   31   12   11 o  385.449   47.374   3.9188   0.9016   5.2638   1.4336   3.0388   1.1596  442.242   63.051  328.656   70.722 113.5859 94.74749 
1 1 1   31   12   13 o  356.487   48.354   3.3125   0.8536   5.0713   1.3772   2.2154   1.0877  433.925   61.735  279.049   74.441 154.8763 96.70897 
1 1 1   31   12   15 o  581.096   59.484   9.9361   1.6357   11.240   2.1171   8.0049   2.5765  643.893   63.951  518.299  100.316 125.5934 118.9670 
1 1 1   31   12   17 o  389.229   56.183   5.0199   0.9771   5.8298   1.1444   2.8416   1.8767  468.710   47.489  309.747  101.838 158.9631 112.3659 
1 1 1   31   12   19 o  197.803   46.249   0.8146   0.4772   0.5872   0.5399   1.6264   1.0200  155.419   54.573  240.186   74.685 -84.76680 92.49847 
1 1 1   31   12   21 o  232.748   52.540   1.3744   0.5658   1.3287   0.6132   1.6368   1.4688  217.900   54.790  247.596   89.665 -29.69626 105.0798 
1 1 1   31   12   23 o  229.356   53.144   1.4047   0.5806   1.4317   0.6233   1.2279   1.5958  225.931   54.328  232.781   91.355 -6.849701 106.2886 
1 1 1   31   12   25 o  352.605   54.840   4.4018   0.8565   5.0138   0.9625   2.0707   1.8783  434.126   43.122  271.083  100.848 163.0432 109.6805 
1 1 1   31   12   27 o  314.892   42.083   1.5018   0.5036   0.9876   0.5354   5.4519   1.4839  187.931   53.075  441.854   65.322 -253.9227 84.16554 
1 1 1   31   12   29 o  276.068   40.374   1.1670   0.4360   0.7547   0.4648   4.1795   1.2564  165.654   50.221  386.481   63.231 -220.8278 80.74819 
1 1 1   31   12   31 f  144.570   52.976   0.4897   0.5149   0.4897   0.5149   0.0000   0.0000  144.570   52.976  ?   ?       ?      ? 
1 1 1   31   12   33 o  243.050   45.370   1.6767   0.4658   1.6771   0.5045   1.6740   1.2118  250.153   39.230  235.947   81.820 14.20595 90.73914 
1 1 1   31   12   35 o  443.013   49.600   5.7955   0.8129   5.7722   0.8957   5.9043   1.9365  463.733   37.568  422.293   91.811 41.43982 99.19956 
1 1 1   31   12   37 o  146.244   39.493   0.3871   0.4358   0.0000   0.5908   0.8490   0.6455  118.583   51.660  173.905   59.750 -55.32215 78.98584 
1 1 1   31   12   39 o  203.169   40.538   1.3246   0.4117   1.4393   0.4596   0.8591   0.9259  226.071   41.059  180.266   69.910 45.80476 81.07533 
1 1 1   31   13    0 f  198.986   67.354   1.3347   0.6168   0.0000   0.0000   1.3347   0.6168  198.986   67.354  198.986   67.354 -0.000000 0.000000 
1 1 1   31   13    2 o  384.434   39.046   4.0870   0.7258   3.3101   1.1020   4.6823   0.9646  346.469   64.228  422.399   44.419 -75.93033 78.09132 
1 1 1   31   13    4 o  430.750   36.587   4.8154   0.8022   5.6088   1.2452   4.2525   1.0488  460.309   52.618  401.191   50.849 59.11755 73.17319 
1 1 1   31   13    6 o  466.626   59.577   6.1238   1.3952   6.3092   1.9243   5.9183   2.0259  479.578   78.046  453.674   90.035 25.90411 119.1537 
1 1 1   31   13    8 o  459.009   74.849   5.7626   1.7663   5.7626   1.7663   0.0000   0.0000  459.009   74.849  ?   ?       ?      ? 
1 1 1   31   13   10 o  209.556   71.215   1.1356   0.9167   1.1356   0.9167   0.0000   0.0000  209.556   71.215  ?   ?       ?      ? 
1 1 1   31   13   12 o  303.864   59.575   2.7113   0.9577   2.9390   1.2159   2.3391   1.5542  321.121   75.005  286.606   92.580 34.51459 119.1502 
1 1 1   31   13   14 o  271.827   49.808   1.7040   0.6509   1.1769   0.7548   3.2331   1.2855  207.667   64.191  335.988   76.177 -128.3213 99.61577 
1 1 1   31   13   16 f  924.093   60.756   26.119   2.6027   31.763   3.3403   17.399   4.1523  1084.15   59.927  764.041  105.706 320.1043 121.5116 
1 1 1   31   13   18 o  334.503   50.322   2.6506   0.7523   2.0495   0.8601   4.6081   1.5520  269.292   63.206  399.714   78.321 -130.4221 100.6438 
1 1 1   31   13   20 o  187.570   44.002   0.5968   0.4027   0.3816   0.4410   1.6761   0.9876  132.616   48.960  242.523   73.128 -109.9076 88.00446 
1 1 1   31   13   22 o  297.206   51.436   2.2180   0.5586   2.1216   0.5940   2.9556   1.6431  283.208   40.793  311.205   94.437 -27.99658 102.8710 
1 1 1   31   13   24 f  168.875   42.836   0.7033   0.3398   0.7593   0.3530   0.0000   1.2505  166.061   41.473  171.688   74.965 -5.626205 85.67250 
1 1 1   31   13   26 o  157.882   45.011   0.4131   0.3862   0.4114   0.4078   0.4277   1.2033  132.289   47.329  183.474   76.577 -51.18515 90.02248 
1 1 1   31   13   28 o  215.417   53.548   0.9626   0.6879   0.5239   0.8061   2.1379   1.3194  164.764   64.845  266.071   85.234 -101.3067 107.0970 
1 1 1   31   13   30 o  167.157   59.246   0.7121   0.6376   0.7121   0.6376   0.0000   0.0000  167.157   59.246  ?   ?       ?      ? 
1 1 1   31   13   32 o  238.298   43.696   1.5377   0.4393   1.4992   0.4789   1.7419   1.1028  236.634   39.365  239.963   78.025 -3.329208 87.39281 
1 1 1   31   13   34 o  209.379   41.990   1.4112   0.4357   1.5651   0.4687   0.4325   1.1820  241.611   37.729  177.148   75.028 64.46252 83.98067 
1 1 1   31   13   36 o  181.940   43.108   0.8838   0.3801   0.8856   0.4086   0.8721   1.0348  176.330   44.940  187.551   73.578 -11.22107 86.21659 
1 1 1   31   13   38 o  268.143   46.326   2.0473   0.5613   1.8663   0.6420   2.6351   1.1567  253.288   51.062  282.999   77.310 -29.71138 92.65109 
1 1 1   31   13   40 o  170.773   40.958   0.7790   0.3445   0.7605   0.3724   0.8891   0.9072  162.186   43.681  179.361   69.299 -17.17570 81.91677 
1 1 1   31   14    1 o  349.809   39.408   2.4181   0.5505   2.0168   0.5950   4.8060   1.4514  277.464   41.711  422.153   66.873 -144.6895 78.81515 
1 1 1   31   14    3 o  632.486   41.309   9.4749   1.0893   8.7138   1.2053   12.867   2.5445  576.957   40.634  688.015   71.934 -111.0574 82.61743 
1 1 1   31   14    5 o  292.703   39.279   1.6513   0.4882   1.1904   0.5379   3.8075   1.1634  208.152   50.726  377.255   59.984 -169.1031 78.55711 
1 1 1   31   14    7 o  932.380   54.476   23.781   2.6052   22.021   3.5469   25.842   3.8389  895.074   77.077  969.687   77.003 -74.61279 108.9510 
1 1 1   31   14    9 o  762.729   44.992   15.322   1.7643   15.322   1.7643   0.0000   0.0000  762.729   44.992  ?   ?       ?      ? 
1 1 1   31   14   11 o  382.402   54.211   4.3983   0.8794   4.6617   1.0050   3.5373   1.8170  420.103   46.530  344.702   97.929 75.40118 108.4213 
1 1 1   31   14   13 o  394.021   44.311   3.5368   0.7810   2.9478   0.8808   5.7008   1.6884  332.761   51.487  455.282   72.132 -122.5209 88.62217 
1 1 1   31   14   15 o  220.691   46.054   1.2891   0.4446   1.2935   0.4794   1.2620   1.1886  217.579   44.364  223.805   80.721 -6.225922 92.10865 
1 1 1   31   14   17 o  313.247   51.874   2.8476   0.7163   2.9231   0.8069   2.5670   1.5557  331.604   47.332  294.890   92.321 36.71420 103.7476 
1 1 1   31   14   19 o  329.885   52.238   3.3605   0.6714   3.5023   0.7308   2.5926   1.7004  364.643   38.981  295.126   96.930 69.51657 104.4751 
1 1 1   31   14   21 o  471.147   42.048   5.0730   0.7820   4.5880   0.8493   7.7721   2.0037  416.849   39.630  525.444   74.173 -108.5953 84.09610 
1 1 1   31   14   23 o  162.857   45.555   0.5150   0.3271   0.5423   0.3357   0.0000   1.4559  141.964   42.595  183.749   80.541 -41.78482 91.11069 
1 1 1   31   14   25 o  278.282   53.694   2.2556   0.6827   2.2728   0.7589   2.1825   1.5637  285.423   53.684  271.141   93.007 14.28238 107.3884 
1 1 1   31   14   27 o  223.637   55.641   1.2332   0.6912   1.0812   0.7835   1.7668   1.4681  198.286   65.830  248.988   89.723 -50.70264 111.2823 
1 1 1   31   14   29 f  349.957   39.008   3.2601   0.7018   3.2601   0.7018   0.0000   0.0000  349.957   39.008  ?   ?       ?      ? 
1 1 1   31   14   31 o  183.393   46.064   0.6486   0.3350   0.5923   0.3484   1.3370   1.2183  146.740   43.245  220.046   81.347 -73.30672 92.12726 
1 1 1   31   14   33 o  198.069   44.230   0.8043   0.3703   0.6593   0.3964   1.7997   1.0386  154.059   46.300  242.079   75.375 -88.01953 88.45949 
1 1 1   31   14   35 o  245.352   46.732   1.5712   0.4585   1.4673   0.4931   2.2347   1.2459  228.666   43.532  262.039   82.707 -33.37221 93.46337 
1 1 1   31   14   37 o  278.290   50.122   1.9520   0.6137   1.5388   0.6860   3.6069   1.3730  226.325   58.524  330.254   81.387 -103.9287 100.2440 
1 1 1   31   14   39 o  215.241   43.150   1.4047   0.4293   1.4136   0.4729   1.3629   1.0236  222.745   42.848  207.736   74.911 15.00916 86.29977 
1 1 1   31   15    0 o  474.019   96.639   6.6873   2.0833   6.6873   2.0833   0.0000   0.0000  474.019   96.639  474.019   96.639 0.000000 0.000000 
1 1 1   31   15    2 o  269.550   46.184   1.6293   0.4739   1.4664   0.5090   2.6891   1.2981  232.615   44.178  306.485   81.117 -73.86981 92.36707 
1 1 1   31   15    4 o  274.833   44.677   1.7583   0.4983   1.5600   0.5465   2.7367   1.2136  239.620   46.031  310.045   76.586 -70.42484 89.35453 
1 1 1   31   15    6 o  395.072   51.690   4.5529   0.8667   4.7642   0.9989   3.9092   1.7435  425.226   45.689  364.918   92.736 60.30801 103.3804 
1 1 1   31   15    8 o  301.943   60.199   2.6466   0.9792   2.9038   1.3333   2.3454   1.4427  317.469   81.324  286.417   88.782 31.05154 120.3986 
1 1 1   31   15   10 o  199.684   49.902   1.0982   0.5109   1.0982   0.5109   0.0000   0.0000  199.684   49.902  ?   ?       ?      ? 
1 1 1   31   15   12 o  558.816   48.534   8.2757   1.1463   8.0759   1.2911   9.0195   2.4910  552.814   45.428  564.818   85.781 -12.00409 97.06781 
1 1 1   31   15   14 f  141.866   38.217   0.3752   0.2867   0.3680   0.3069   0.4244   0.8030  122.043   41.208  161.689   64.374 -39.64587 76.43363 
1 1 1   31   15   16 o  272.014   39.062   1.1680   0.4369   0.7142   0.4715   3.9238   1.1619  163.424   50.771  380.605   59.378 -217.1809 78.12386 
1 1 1   31   15   18 o  444.935   59.531   5.7474   1.2794   5.7534   1.6047   5.7368   2.1197  456.118   68.431  433.753   97.432 22.36533 119.0628 
1 1 1   31   15   20 o  361.316   52.151   3.8374   0.6913   3.8911   0.7503   3.5354   1.7785  384.326   37.972  338.305   97.143 46.02124 104.3011 
1 1 1   31   15   22 o  322.150   41.832   1.2533   0.4675   0.7933   0.4886   6.2294   1.6073  170.447   51.450  473.853   65.974 -303.4055 83.66378 
1 1 1   31   15   24 o  382.742   53.444   3.8125   0.6959   3.6662   0.7415   4.8944   2.0163  372.278   38.740  393.205   99.620 -20.92712 106.8878 
1 1 1   31   15   26 o  346.725   54.441   3.2216   0.7427   3.0635   0.8101   4.0547   1.8599  337.619   46.668  355.832   98.373 -18.21262 108.8813 
1 1 1   31   15   28 o  376.987   72.234   4.1817   1.3491   4.1817   1.3491   0.0000   0.0000  376.987   72.234  ?   ?       ?      ? 
1 1 1   31   15   30 o  181.301   42.709   0.8050   0.3438   0.7918   0.3645   0.9115   1.0356  168.538   42.172  194.065   74.282 -25.52660 85.41775 
1 1 1   31   15   32 o  267.802   49.108   1.7889   0.4956   1.6558   0.5284   2.7608   1.4282  244.117   43.709  291.487   87.953 -47.36951 98.21522 
1 1 1   31   15   34 o  168.441   39.452   0.8384   0.3535   0.9479   0.3759   0.0000   1.0400  183.907   40.817  152.974   67.526 30.93295 78.90370 
1 1 1   31   15   36 o  270.161   46.225   1.8711   0.4745   1.7359   0.5089   2.7712   1.3134  252.915   39.139  287.407   83.755 -34.49202 92.44918 
1 1 1   31   15   38 f  250.312   55.638   2.1368   0.7964   2.2809   0.9850   1.8647   1.3535  266.249   70.750  234.375   85.889 31.87425 111.2769 
1 1 1   31   16    1 o  283.792   60.972   2.2915   0.9660   2.2541   1.3131   2.3355   1.4262  281.357   84.209  286.226   88.200 -4.869446 121.9440 
1 1 1   31   16    3 o  324.868   46.734   2.5117   0.5822   2.3204   0.6320   3.5841   1.4966  297.386   41.333  352.350   83.833 -54.96344 93.46889 
1 1 1   31   16    5 o  470.091   43.498   5.2275   0.8367   4.8069   0.9202   7.2322   2.0092  427.833   41.837  512.349   76.275 -84.51550 86.99586 
1 1 1   31   16    7 o  212.257   44.733   0.9055   0.4477   0.6411   0.4986   2.0063   1.0175  158.435   52.512  266.079   72.433 -107.6440 89.46502 
1 1 1   31   16    9 o  315.145   83.778   2.8868   1.3808   2.8868   1.3808   0.0000   0.0000  315.145   83.778  ?   ?       ?      ? 
1 1 1   31   16   11 o  1003.53   42.358   23.721   1.9005   20.633   2.1507   34.723   4.0596  882.359   47.409  1124.69   70.207 -242.3333 84.71529 
1 1 1   31   16   13 o  308.748   51.489   2.4999   0.6659   2.3919   0.7353   2.9916   1.5693  300.140   47.654  317.356   91.288 -17.21564 102.9773 
1 1 1   31   16   15 o  400.758   52.814   4.6245   0.8048   4.6701   0.8871   4.4124   1.9127  420.848   41.001  380.668   97.347 40.17978 105.6288 
1 1 1   31   16   17 o  203.169   42.078   1.2516   0.4214   1.3939   0.4573   0.4501   1.0852  226.640   40.744  179.699   73.635 46.94130 84.15637 
1 1 1   31   16   19 o  233.486   47.866   1.7303   0.6078   2.0449   0.6786   0.4548   1.3664  272.369   50.313  194.603   81.444 77.76646 95.73144 
1 1 1   31   16   21 o  317.401   50.196   2.6626   0.5881   2.5821   0.6318   3.1853   1.6094  312.580   39.316  322.222   92.374 -9.641724 100.3929 
1 1 1   31   16   23 o  202.588   46.636   1.1204   0.4081   1.1765   0.4250   0.4586   1.4603  207.171   41.354  198.005   83.602 9.166321 93.27117 
1 1 1   31   16   25 o  235.496   49.479   1.5702   0.5226   1.6010   0.5630   1.3778   1.4058  240.380   47.237  230.613   86.957 9.767273 98.95869 
1 1 1   31   16   27 o  148.930   44.515   0.6051   0.3671   0.6051   0.3671   0.0000   0.0000  148.930   44.515  ?   ?       ?      ? 
1 1 1   31   16   29 o  304.694   51.352   2.2873   0.6438   1.9801   0.7075   3.7677   1.5531  264.107   53.928  345.282   87.406 -81.17499 102.7035 
1 1 1   31   16   31 o  328.711   48.154   2.8248   0.5791   2.6752   0.6235   3.7636   1.5619  316.205   38.353  341.216   88.342 -25.01141 96.30814 
1 1 1   31   16   33 o  240.322   48.289   1.1496   0.4148   0.9748   0.4356   2.8504   1.3589  185.264   45.956  295.380   84.943 -110.1160 96.57745 
1 1 1   31   16   35 o  275.088   47.980   1.9527   0.4996   1.8186   0.5345   2.8817   1.4067  258.723   40.183  291.453   87.142 -32.72925 95.96003 
1 1 1   31   16   37 o  228.313   45.299   1.2010   0.4072   1.0304   0.4356   2.3865   1.1482  189.074   45.383  267.552   78.410 -78.47784 90.59708 
1 1 1   31   17    0 o  485.044   98.705   7.0357   2.1780   0.0000   0.0000   7.0357   2.1780  485.044   98.705  485.044   98.705 -0.000000 0.000000 
1 1 1   31   17    2 o  345.361   61.077   3.4760   1.1097   4.5652   1.5829   2.4232   1.5562  399.932   79.778  290.790   92.504 109.1419 122.1535 
1 1 1   31   17    4 o  220.806   45.696   0.7533   0.3692   0.5792   0.3874   2.4713   1.2173  148.225   46.018  293.387   78.961 -145.1622 91.39179 
1 1 1   31   17    6 o  229.128   48.225   1.5476   0.5802   1.7436   0.6542   0.8248   1.2562  251.678   52.267  206.577   81.060 45.10074 96.45024 
1 1 1   31   17    8 o  152.469   40.555   0.4751   0.3470   0.4867   0.3775   0.4121   0.8805  138.433   45.682  166.505   67.023 -28.07202 81.11069 
1 1 1   31   17   10 o  422.543   46.226   4.7273   1.0042   4.7273   1.0042   0.0000   0.0000  422.543   46.226  ?   ?       ?      ? 
1 1 1   31   17   12 o  607.001   50.948   10.333   1.2871   10.456   1.4563   9.8954   2.7512  628.445   45.072  585.557   91.386 42.88818 101.8966 
1 1 1   31   17   14 o  275.012   49.894   2.3701   0.6594   2.6326   0.7383   1.3343   1.4664  315.003   45.588  235.020   88.765 79.98297 99.78744 
1 1 1   31   17   16 o  230.768   47.106   1.4578   0.4790   1.4724   0.5188   1.3735   1.2466  231.859   45.150  229.677   82.689 2.182098 94.21207 
1 1 1   31   17   18 o  158.559   40.656   0.4565   0.3354   0.3659   0.3662   0.9281   0.8353  125.631   44.857  191.486   67.820 -65.85491 81.31224 
1 1 1   31   17   20 o  330.744   51.824   3.0231   0.6307   2.9828   0.6783   3.2805   1.7142  335.981   39.265  325.508   95.923 10.47290 103.6486 
1 1 1   31   17   22 o  210.937   47.738   1.0946   0.4560   1.0439   0.4918   1.4056   1.2171  193.430   49.305  228.444   81.760 -35.01411 95.47588 
1 1 1   31   17   24 o  217.495   49.757   1.3240   0.5443   1.3240   0.5443   0.0000   0.0000  217.495   49.757  ?   ?       ?      ? 
1 1 1   31   17   26 o  467.992   36.167   5.7938   0.8702   5.7938   0.8702   0.0000   0.0000  467.992   36.167  ?   ?       ?      ? 
1 1 1   31   17   28 o  300.675   52.386   2.7778   0.7029   2.8703   0.7840   2.3987   1.5874  325.526   46.844  275.823   93.716 49.70316 104.7716 
1 1 1   31   17   30 o  282.274   50.929   2.7172   0.5780   2.8662   0.6113   1.4590   1.7767  328.103   36.239  236.444   95.194 91.65935 101.8586 
1 1 1   31   17   32 o  284.439   49.722   2.1166   0.5092   2.0188   0.5396   2.9132   1.5398  274.199   38.275  294.679   91.783 -20.47980 99.44415 
1 1 1   31   17   34 o  162.760   42.311   0.5302   0.3079   0.4839   0.3233   0.9810   1.0093  133.339   42.136  192.182   73.387 -58.84341 84.62290 
1 1 1   31   17   36 o  153.320   38.245   0.6108   0.3127   0.6313   0.3396   0.4962   0.8015  149.330   42.304  157.310   63.727 -7.980438 76.49004 
1 1 1   31   17   38 o  164.715   69.455   0.4933   1.0058   0.0000   0.0000   0.4933   1.0058  ?   ?   164.715   69.455      ?      ? 
1 1 1   31   18    1 o  421.421   62.940   5.1843   1.3521   6.7169   1.9214   3.6810   1.9029  492.868   75.827  349.974  100.480 142.8943 125.8806 
1 1 1   31   18    3 o  277.282   58.333   2.1810   0.8927   1.9088   1.2070   2.5096   1.3262  260.148   81.301  294.416   83.672 -34.26761 116.6651 
1 1 1   31   18    5 o  169.474   41.938   0.7260   0.3458   0.7969   0.3623   0.0000   1.1587  170.760   41.643  168.187   72.807 2.573044 83.87521 
1 1 1   31   18    7 o  343.296   51.173   3.2597   0.7592   3.2234   0.8625   3.3847   1.5997  348.547   48.130  338.045   90.323 10.50189 102.3461 
1 1 1   31   18    9 o  834.601   45.205   18.432   1.9397   18.432   1.9397   0.0000   0.0000  834.601   45.205  ?   ?       ?      ? 
1 1 1   31   18   11 o  500.607   46.122   6.1668   1.0060   5.6148   1.1318   8.2434   2.1953  459.539   47.904  541.674   78.830 -82.13599 92.24386 
1 1 1   31   18   13 o  360.000   51.109   3.2471   0.7654   2.9526   0.8522   4.4766   1.7411  332.508   49.848  387.493   89.239 -54.98532 102.2180 
1 1 1   31   18   15 o  135.050   36.346   0.3884   0.2604   0.4313   0.2744   0.0000   0.8257  127.420   38.573  142.680   61.613 -15.26021 72.69151 
1 1 1   31   18   17 o  312.881   50.818   2.7285   0.6257   2.7088   0.6808   2.8356   1.5874  319.923   41.390  305.840   92.827 14.08301 101.6361 
1 1 1   31   18   19 o  308.626   59.211   2.9808   1.0010   3.6800   1.2875   1.9124   1.5916  356.545   72.702  260.707   93.478 95.83835 118.4215 
1 1 1   31   18   21 o  238.368   47.649   1.2643   0.4886   1.0428   0.5343   2.3947   1.2072  193.111   52.458  283.624   79.560 -90.51326 95.29758 
1 1 1   31   18   23 o  177.124   52.702   0.8682   0.5154   0.8682   0.5154   0.0000   0.0000  177.124   52.702  ?   ?       ?      ? 
1 1 1   31   18   25 o  696.992   40.693   10.690   1.0764   9.5576   1.1563   18.045   2.9475  600.545   37.451  793.439   72.256 -192.8937 81.38502 
1 1 1   31   18   27 o  262.457   47.049   1.9514   0.4939   1.9507   0.5315   1.9552   1.3368  270.746   38.185  254.167   86.003 16.57893 94.09885 
1 1 1   31   18   29 o  226.669   53.542   1.4875   0.6864   1.4885   0.8028   1.4851   1.3231  224.679   65.486  228.658   84.726 -3.979675 107.0834 
1 1 1   31   18   31 o  239.084   49.625   1.2767   0.4271   1.1597   0.4474   2.4772   1.4332  203.086   44.111  275.081   88.908 -71.99487 99.24926 
1 1 1   31   18   33 o  485.664   43.664   5.8704   0.8246   5.3915   0.8961   8.5189   2.1072  446.736   39.013  524.594   78.128 -77.85803 87.32748 
1 1 1   31   18   35 o  319.904   47.261   2.5797   0.5577   2.3502   0.5996   4.0517   1.5186  293.718   39.705  346.091   85.779 -52.37256 94.52238 
1 1 1   31   18   37 o  223.428   47.504   1.6745   0.5450   1.7989   0.5949   1.0253   1.3591  249.051   48.205  197.805   81.870 51.24634 95.00739 
1 1 1   31   19    0 o  123.539   74.909   0.4104   0.8816   0.0000   0.0000   0.4104   0.8816  123.539   74.909  123.539   74.909 -0.000000 0.000000 
1 1 1   31   19    2 o  209.313   52.468   1.0368   0.7430   1.5997   1.0290   0.4238   1.0738  239.587   75.099  179.040   73.293 60.54681 104.9366 
1 1 1   31   19    4 o  312.161   59.975   2.8694   0.9898   3.0955   1.3361   2.5942   1.4736  326.603   80.165  297.719   89.228 28.88419 119.9500 
1 1 1   31   19    6 o  213.548   47.815   1.1597   0.4946   1.1283   0.5461   1.3031   1.1667  201.850   52.227  225.245   80.110 -23.39542 95.63096 
1 1 1   31   19    8 o  788.414   44.284   15.713   1.5773   14.503   1.8098   19.536   3.2167  738.846   47.643  837.983   74.663 -99.13763 88.56895 
1 1 1   31   19   10 o  246.577   78.933   1.7127   1.1317   1.7127   1.1317   0.0000   0.0000  246.577   78.933  ?   ?       ?      ? 
1 1 1   31   19   12 o  298.964   48.018   1.8762   0.6053   1.3985   0.6684   4.0566   1.4279  223.264   57.781  374.663   76.709 -151.3996 96.03537 
1 1 1   31   19   14 o  161.396   42.975   0.4263   0.3462   0.3556   0.3697   0.9306   0.9874  125.003   45.027  197.789   73.212 -72.78627 85.94992 
1 1 1   31   19   16 o  468.325   54.052   6.2938   0.9236   6.3073   1.0125   6.2270   2.2535  488.486   40.316  448.165  100.305 40.32166 108.1040 
1 1 1   31   19   18 o  184.104   45.149   0.8660   0.4201   0.9197   0.4489   0.4872   1.1919  182.110   47.462  186.097   76.818 -3.987091 90.29769 
1 1 1   31   19   20 o  687.617   61.291   13.028   2.1668   13.028   2.1668   0.0000   0.0000  687.617   61.291  ?   ?       ?      ? 
1 1 1   31   19   22 o  221.956   43.443   1.3558   0.4780   1.3558   0.4780   0.0000   0.0000  221.956   43.443  ?   ?       ?      ? 
1 1 1   31   19   24 o  249.007   51.833   1.3564   0.4275   1.2730   0.4430   2.4848   1.6302  215.199   41.548  282.815   94.975 -67.61595 103.6650 
1 1 1   31   19   26 o  180.753   40.324   0.9300   0.3568   0.9987   0.3841   0.4975   0.9635  190.071   40.542  171.434   69.717 18.63646 80.64787 
1 1 1   31   19   28 o  150.144   38.391   0.5692   0.3032   0.6332   0.3198   0.0000   0.9534  151.074   40.396  149.215   65.296 1.859131 76.78188 
1 1 1   31   19   30 o  372.539   46.636   3.1897   0.6401   2.8144   0.6878   5.6184   1.7497  322.848   41.439  422.229   83.561 -99.38104 93.27209 
1 1 1   31   19   32 o  186.616   42.092   1.0277   0.3820   1.0975   0.4069   0.5113   1.1072  197.893   41.330  175.339   73.341 22.55440 84.18481 
1 1 1   31   19   34 o  296.141   49.540   2.4614   0.5512   2.3648   0.5913   3.1033   1.5236  295.120   38.971  297.163   91.094 -2.042511 99.08022 
1 1 1   31   19   36 o  410.467   44.536   4.3182   0.8186   3.6248   0.9260   6.7983   1.7512  356.790   50.480  464.143   73.388 -107.3530 89.07259 
1 1 1   31   20    1 o  482.921   62.363   6.7571   1.5127   6.2205   2.1402   7.2928   2.1384  457.296   94.165  508.546   81.788 -51.25015 124.7254 
1 1 1   31   20    3 o  282.245   59.757   2.3210   0.9278   2.4067   1.1985   2.1927   1.4658  288.173   78.683  276.316   89.959 11.85663 119.5144 
1 1 1   31   20    5 o  781.145   58.385   17.289   2.3409   17.636   3.2453   16.912   3.3799  791.766   79.724  770.524   85.319 21.24200 116.7697 
1 1 1   31   20    7 o  472.662   43.356   5.1296   0.9437   4.0953   1.0801   8.4653   1.9397  390.641   53.782  554.682   68.018 -164.0411 86.71204 
1 1 1   31   20    9 o  305.574   50.479   2.7911   0.7128   2.9750   0.8212   2.2288   1.4358  334.269   47.782  276.880   88.935 57.38919 100.9584 
1 1 1   31   20   11 o  803.394   45.196   17.141   1.8668   17.141   1.8668   0.0000   0.0000  803.394   45.196  ?   ?       ?      ? 
1 1 1   31   20   13 o  333.716   44.808   1.8089   0.6118   1.0855   0.6615   6.0871   1.6088  198.087   59.880  469.346   66.673 -271.2596 89.61514 
1 1 1   31   20   15 o  355.231   53.339   3.4934   0.7905   3.4012   0.8836   3.8632   1.7692  356.545   48.200  353.917   95.169 2.628540 106.6787 
1 1 1   31   20   17 o  328.708   44.660   2.0381   0.6327   1.2917   0.6984   5.4552   1.4943  213.865   60.698  443.550   65.527 -229.6851 89.31947 
1 1 1   31   20   19 o  457.833   49.209   5.6391   1.1583   5.6391   1.1583   0.0000   0.0000  457.833   49.209  ?   ?       ?      ? 
1 1 1   31   20   21 o  178.464   44.759   0.6459   0.3216   0.6161   0.3343   1.0139   1.1752  149.899   41.804  207.029   79.158 -57.12985 89.51878 
1 1 1   31   20   23 o  167.752   43.773   0.4991   0.2960   0.4601   0.3070   1.0145   1.1163  131.465   40.991  204.039   77.356 -72.57393 87.54562 
1 1 1   31   20   25 o  174.011   43.468   0.6174   0.3089   0.5820   0.3220   1.0240   1.0914  145.499   41.190  202.522   76.559 -57.02310 86.93646 
1 1 1   31   20   27 o  215.194   44.080   0.9633   0.3687   0.8208   0.3921   2.0526   1.0842  171.181   44.235  259.207   76.260 -88.02538 88.16058 
1 1 1   31   20   29 o  332.765   57.146   3.2431   0.9464   2.4674   1.1744   4.6798   1.5982  280.476   78.400  385.055   83.165 -104.5791 114.2930 
1 1 1   31   20   31 o  445.828   46.150   4.6249   0.8894   3.7451   0.9868   8.4330   2.0530  365.773   52.474  525.883   75.933 -160.1103 92.30012 
1 1 1   31   20   33 o  278.061   49.876   2.4810   0.5496   2.5321   0.5862   2.1106   1.5781  306.241   37.235  249.881   92.541 56.36063 99.75132 
1 1 1   31   20   35 o  235.116   50.583   1.5521   0.5247   1.4558   0.5664   2.1354   1.3936  222.783   50.601  247.450   87.601 -24.66667 101.1653 
1 1 1   31   21    0 o  104.030   67.448   0.0000   0.8564   0.0000   0.8564   0.0000   0.0000  104.030   67.448  104.030   67.448 0.000000 0.000000 
1 1 1   31   21    2 o  133.669   40.941   0.0000   0.4777   0.0000   0.5676   0.0000   0.8840  119.678   51.377  147.661   63.758 -27.98296 81.88210 
1 1 1   31   21    4 o  235.960   56.837   1.4903   0.8276   1.2190   1.1232   1.8125   1.2241  218.767   78.518  253.152   82.200 -34.38446 113.6749 
1 1 1   31   21    6 o  385.332   52.950   3.6703   0.9277   2.8738   1.0784   5.9385   1.8198  317.799   68.053  452.865   81.141 -135.0661 105.9008 
1 1 1   31   21    8 o  256.549   55.524   1.8369   0.7111   1.8369   0.7111   0.0000   0.0000  256.549   55.524  ?   ?       ?      ? 
1 1 1   31   21   10 o  187.171   51.298   0.9703   0.5083   0.9703   0.5083   0.0000   0.0000  187.171   51.298  ?   ?       ?      ? 
1 1 1   31   21   12 o  329.927   55.497   2.6790   0.8547   1.9713   0.9921   4.7157   1.6831  261.139   71.707  398.716   84.720 -137.5772 110.9931 
1 1 1   31   21   14 o  239.008   52.981   1.7005   0.6910   1.9005   0.7801   0.9722   1.4885  259.094   59.782  218.922   87.487 40.17188 105.9612 
1 1 1   31   21   16 o  250.925   64.788   1.8070   0.8416   1.8070   0.8416   0.0000   0.0000  250.925   64.788  ?   ?       ?      ? 
1 1 1   31   21   18 o  400.442   39.296   4.2454   0.8090   4.2454   0.8090   0.0000   0.0000  400.442   39.296  ?   ?       ?      ? 
1 1 1   31   21   20 o  287.048   48.338   3.0733   0.7602   3.8352   0.8492   0.0000   1.7055  378.943   43.588  195.152   86.291 183.7916 96.67507 
1 1 1   31   21   22 o  310.193   42.323   1.6958   0.4602   1.3512   0.4862   4.6615   1.4262  221.003   44.331  399.383   72.109 -178.3804 84.64616 
1 1 1   31   21   24 o  266.289   48.993   1.9668   0.4973   1.9512   0.5282   2.0885   1.4769  270.908   37.922  261.671   90.351 9.236755 97.98654 
1 1 1   31   21   26 o  424.200   49.854   4.9220   0.7459   4.7736   0.8062   5.8043   1.9655  423.423   37.032  424.978   92.576 -1.555054 99.70840 
1 1 1   31   21   28 f  270.807   46.231   1.8478   0.4692   1.7328   0.5018   2.6458   1.3221  254.301   38.383  287.314   84.120 -33.01289 92.46287 
1 1 1   31   21   30 o  294.756   43.723   1.6509   0.5737   0.9490   0.6339   4.8266   1.3483  182.324   59.150  407.189   64.407 -224.8659 87.44698 
1 1 1   31   21   32 o  190.514   45.534   1.0242   0.3996   1.0675   0.4172   0.5439   1.3892  194.127   42.940  186.901   80.308 7.225693 91.06742 
1 1 1   31   21   34 o  206.359   48.561   1.2704   0.5059   1.2994   0.5448   1.0890   1.3636  210.302   50.931  202.416   82.696 7.885483 97.12133 
1 1 1   31   21   36 o  214.396   42.987   1.3183   0.4573   1.3183   0.4573   0.0000   0.0000  214.396   42.987  ?   ?       ?      ? 
1 1 1   31   22    1 o  320.948   62.685   3.0609   1.0741   2.6072   1.4793   3.5668   1.5620  296.296   89.539  345.600   87.752 -49.30484 125.3703 
1 1 1   31   22    3 o  166.018   66.967   0.4207   0.8810   0.4207   0.8810   0.0000   0.0000  166.018   66.967  ?   ?       ?      ? 
1 1 1   31   22    5 o  635.848   81.614   11.517   2.6680   11.517   2.6680   0.0000   0.0000  635.848   81.614  ?   ?       ?      ? 
1 1 1   31   22    7 o  186.717   60.876   0.9333   0.6711   0.9333   0.6711   0.0000   0.0000  186.717   60.876  ?   ?       ?      ? 
1 1 1   31   22    9 o  342.914   49.372   2.9494   0.8374   1.8520   1.0246   5.1565   1.4532  253.370   74.020  432.459   65.358 -179.0896 98.74477 
1 1 1   31   22   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   22   13 o  514.237   60.272   7.2440   1.5935   7.2440   1.5935   0.0000   0.0000  514.237   60.272  ?   ?       ?      ? 
1 1 1   31   22   15 o  389.971   48.205   4.0796   0.9665   4.0796   0.9665   0.0000   0.0000  389.971   48.205  ?   ?       ?      ? 
1 1 1   31   22   17 o  442.897   44.648   4.4198   0.7784   3.9278   0.8434   7.2499   2.0227  384.090   42.710  501.705   78.419 -117.6156 89.29512 
1 1 1   31   22   19 o  298.533   52.242   2.9520   0.7675   3.3580   0.8736   1.5780   1.6071  353.069   48.127  243.997   92.740 109.0718 104.4837 
1 1 1   31   22   21 o  225.520   50.555   1.3173   0.5181   1.2719   0.5588   1.5953   1.3820  212.265   51.689  238.775   86.899 -26.50958 101.1098 
1 1 1   31   22   23 o  363.497   46.981   2.9090   0.6057   2.5811   0.6454   5.3286   1.7535  310.877   40.383  416.118   84.841 -105.2403 93.96209 
1 1 1   31   22   25 o  151.407   38.976   0.3307   0.2473   0.2605   0.2587   1.0751   0.8424  105.695   37.708  197.119   68.226 -91.42403 77.95294 
1 1 1   31   22   27 o  188.032   42.525   0.8852   0.3457   0.8587   0.3677   1.0878   1.0152  175.201   41.465  200.863   74.258 -25.66124 85.05085 
1 1 1   31   22   29 o  208.531   45.037   1.3907   0.5089   1.5754   0.5618   0.5456   1.2018  235.518   48.025  181.544   76.202 53.97418 90.07336 
1 1 1   31   22   31 o  496.316   40.207   5.2044   0.7729   4.3872   0.8303   10.509   2.1156  401.822   40.193  590.810   69.649 -188.9879 80.41468 
1 1 1   31   22   33 o  343.079   47.421   3.2964   0.8364   3.2964   0.8364   0.0000   0.0000  343.079   47.421  ?   ?       ?      ? 
1 1 1   31   22   35 o  232.619   47.797   1.4479   0.4631   1.3223   0.4982   2.2476   1.2573  213.059   46.762  252.180   83.375 -39.12146 95.59312 
1 1 1   31   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   23    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   23    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   23    6 o  615.655   88.040   11.034   2.7867   0.0000   0.0000   11.034   2.7867  ?   ?   615.655   88.040      ?      ? 
1 1 1   31   23    8 o  264.973   58.495   1.9185   0.8133   1.7373   0.9534   2.4024   1.5582  245.815   71.282  284.132   92.765 -38.31651 116.9896 
1 1 1   31   23   10 f  206.630   46.203   1.2491   0.5074   1.4045   0.5563   0.4812   1.2365  224.835   49.472  188.424   78.048 36.41061 92.40648 
1 1 1   31   23   12 o  266.636   52.470   1.9778   0.6937   1.9778   0.6937   0.0000   0.0000  266.636   52.470  ?   ?       ?      ? 
1 1 1   31   23   14 o  170.156   45.526   0.4993   0.3791   0.4340   0.4024   1.0143   1.1300  134.076   47.114  206.236   77.914 -72.15990 91.05116 
1 1 1   31   23   16 f  246.233   49.271   1.7516   0.5607   1.7917   0.6184   1.5661   1.3297  254.190   49.094  238.277   85.441 15.91283 98.54112 
1 1 1   31   23   18 o  158.275   39.186   0.6522   0.3150   0.7233   0.3317   0.0000   1.0044  161.935   40.065  154.615   67.356 7.319733 78.37131 
1 1 1   31   23   20 o  236.454   50.939   1.3892   0.5646   1.2065   0.6275   2.1659   1.2940  205.879   57.224  267.030   84.289 -61.15102 101.8781 
1 1 1   31   23   22 o  384.996   39.093   2.1215   0.5291   1.4678   0.5568   8.2093   1.6991  228.617   48.853  541.374   61.045 -312.7563 78.18662 
1 1 1   31   23   24 o  331.903   53.297   3.9377   0.6841   4.2062   0.7349   2.1929   1.8733  397.849   35.927  265.957  100.356 131.8919 106.5937 
1 1 1   31   23   26 o  382.850   52.110   4.0224   0.6850   3.8833   0.7330   4.9815   1.9247  381.109   37.411  384.591   97.274 -3.481293 104.2201 
1 1 1   31   23   28 o  322.209   43.416   2.2465   0.5310   1.8901   0.5717   4.4859   1.4333  263.869   42.144  380.550   75.918 -116.6809 86.83153 
1 1 1   31   23   30 o  219.157   47.800   1.4893   0.5328   1.5671   0.5870   1.1253   1.2696  232.984   50.463  205.331   81.197 27.65358 95.60049 
1 1 1   31   23   32 o  316.970   45.487   2.7928   0.7413   2.7928   0.7413   0.0000   0.0000  316.970   45.487  ?   ?       ?      ? 
1 1 1   31   23   34 o  268.739   46.745   2.9010   0.6171   3.2483   0.6617   0.5792   1.7109  344.915   37.313  192.562   85.720 152.3532 93.48912 
1 1 1   31   24    1 o  174.893   50.098   0.3528   0.6931   0.0000   0.8791   0.9323   1.1267  146.641   63.448  203.145   77.547 -56.50410 100.1959 
1 1 1   31   24    3 o  323.727   61.274   3.1291   1.0919   4.4055   1.5657   1.9204   1.5236  386.700   81.331  260.753   91.670 125.9468 122.5485 
1 1 1   31   24    5 o  589.526   64.535   10.330   1.8423   7.3265   2.5340   13.697   2.6832  482.772  105.076  696.279   74.954 -213.5074 129.0705 
1 1 1   31   24    7 o  252.979   54.280   1.7704   0.6929   1.7081   0.7944   1.9687   1.4169  244.717   62.818  261.240   88.540 -16.52252 108.5602 
1 1 1   31   24    9 o  513.731   47.172   5.8799   1.0849   4.5575   1.2210   10.839   2.3645  408.621   58.118  618.841   74.318 -210.2196 94.34425 
1 1 1   31   24   11 o  247.520   55.805   1.8177   0.8378   2.2953   1.0518   0.9889   1.3856  280.144   72.478  214.896   84.875 65.24857 111.6100 
1 1 1   31   24   13 o  326.610   52.316   2.8412   0.7383   2.6508   0.8289   3.5728   1.6246  313.166   51.480  340.054   91.091 -26.88776 104.6318 
1 1 1   31   24   15 o  470.332   45.950   5.3986   0.9626   4.7066   1.0884   7.8826   2.0622  417.151   50.750  523.512   76.617 -106.3601 91.90067 
1 1 1   31   24   17 o  211.562   48.033   1.2211   0.4949   1.2467   0.5381   1.0801   1.2607  210.651   50.367  212.474   81.804 -1.822876 96.06615 
1 1 1   31   24   19 o  284.253   54.820   2.4533   0.7149   2.5098   0.7913   2.2024   1.6672  299.266   53.387  269.240   95.764 30.02594 109.6398 
1 1 1   31   24   21 o  219.759   50.596   1.1868   0.4890   1.1195   0.5219   1.6717   1.4001  198.820   50.852  240.699   87.487 -41.87851 101.1923 
1 1 1   31   24   23 o  251.492   44.382   0.8062   0.3831   0.5324   0.3995   3.9432   1.3521  142.047   46.997  360.936   75.301 -218.8890 88.76402 
1 1 1   31   24   25 o  193.235   43.102   1.1616   0.4162   1.2884   0.4383   0.0000   1.3264  215.582   41.047  170.888   75.804 44.69371 86.20342 
1 1 1   31   24   27 o  290.744   50.824   2.9531   0.6084   3.1302   0.6503   1.7103   1.7227  341.644   37.021  239.844   94.666 101.8001 101.6476 
1 1 1   31   24   29 o  234.717   53.616   1.7072   0.6937   1.7042   0.8109   1.7152   1.3395  236.371   64.795  233.063   85.441 3.308365 107.2312 
1 1 1   31   24   31 o  186.178   51.370   1.0157   0.5077   1.0157   0.5077   0.0000   0.0000  186.178   51.370  ?   ?       ?      ? 
1 1 1   31   24   33 o  150.447   42.867   0.6475   0.3476   0.6475   0.3476   0.0000   0.0000  150.447   42.867  ?   ?       ?      ? 
1 1 1   31   25    0 o  185.539   98.658   1.4114   1.2721   0.0000   0.0000   1.4114   1.2721  185.539   98.658  185.539   98.658 -0.000000 0.000000 
1 1 1   31   25    2 o  213.830   53.382   1.1948   0.7395   0.9200   1.0589   1.4566   1.0333  199.343   75.395  228.318   75.591 -28.97493 106.7633 
1 1 1   31   25    4 o  237.246   58.364   1.5140   0.9378   2.2291   1.2236   0.4957   1.4601  274.526   81.085  199.967   83.969 74.55902 116.7283 
1 1 1   31   25    6 o  233.401   55.222   1.5136   0.8445   2.1808   1.0882   0.5032   1.3391  272.631   75.196  194.172   80.890 78.45900 110.4433 
1 1 1   31   25    8 o  308.601   57.075   2.7300   0.8233   2.6354   0.9448   3.0283   1.6781  304.555   62.439  312.647   95.559 -8.092316 114.1496 
1 1 1   31   25   10 o  510.744   49.918   6.3559   1.1416   5.4431   1.2921   9.6037   2.4372  446.748   56.253  574.741   82.480 -127.9932 99.83649 
1 1 1   31   25   12 o  188.151   46.495   0.9308   0.4866   1.0156   0.5338   0.5145   1.1832  190.493   52.719  185.809   76.601 4.683258 92.98911 
1 1 1   31   25   14 f  308.016   51.684   2.3959   0.6979   2.0410   0.7871   3.7004   1.5091  267.811   58.779  348.222   85.028 -80.41064 103.3673 
1 1 1   31   25   16 o  498.529   45.235   5.0255   0.9661   3.6371   1.0657   11.423   2.2877  363.524   57.023  633.533   70.237 -270.0092 90.47051 
1 1 1   31   25   18 f  182.846   44.099   0.7303   0.3384   0.6897   0.3558   1.1163   1.0974  157.834   42.774  207.859   77.132 -50.02501 88.19857 
1 1 1   31   25   20 o  326.225   51.440   3.0097   0.7263   2.9037   0.8189   3.4008   1.5723  326.639   48.766  325.811   90.588 0.8286743 102.8797 
1 1 1   31   25   22 o  188.971   47.452   0.9974   0.5101   1.1392   0.5451   0.0000   1.4460  199.680   52.428  178.262   79.108 21.41782 94.90340 
1 1 1   31   25   24 o  225.916   48.805   1.4912   0.4716   1.5278   0.4962   1.1504   1.5153  234.540   42.724  217.292   87.763 17.24731 97.61005 
1 1 1   31   25   26 o  270.085   38.323   1.9624   0.5322   1.9624   0.5322   0.0000   0.0000  270.085   38.323  ?   ?       ?      ? 
1 1 1   31   25   28 o  272.912   50.611   2.2869   0.6276   2.2710   0.7030   2.3494   1.3934  281.779   50.375  264.044   87.796 17.73486 101.2212 
1 1 1   31   25   30 o  211.269   51.561   1.3100   0.5551   1.3100   0.5551   0.0000   0.0000  211.269   51.561  ?   ?       ?      ? 
1 1 1   31   25   32 o  161.099   42.161   0.6455   0.3501   0.6514   0.3714   0.5982   1.0489  150.877   44.700  171.320   71.499 -20.44342 84.32216 
1 1 1   31   26    1 o  172.655   49.379   0.4804   0.6769   0.4752   0.9141   0.4867   1.0073  169.683   68.295  175.627   71.337 -5.944031 98.75779 
1 1 1   31   26    3 o  202.994   52.403   0.9576   0.7346   0.4607   1.0150   1.5043   1.0646  174.875   71.385  231.113   76.737 -56.23811 104.8063 
1 1 1   31   26    5 o  558.664   64.551   9.1924   1.7828   7.2140   2.3726   11.758   2.7019  481.105   99.217  636.222   82.603 -155.1176 129.1022 
1 1 1   31   26    7 o  246.665   54.157   1.2311   0.6816   0.7136   0.7703   3.0980   1.4631  174.614   64.657  318.716   86.900 -144.1015 108.3149 
1 1 1   31   26    9 o  192.759   49.316   0.6977   0.5068   0.5162   0.5580   1.5525   1.2111  150.085   55.126  235.433   81.788 -85.34854 98.63129 
1 1 1   31   26   11 o  350.359   65.690   3.8762   1.1812   4.0135   1.4760   3.6318   1.9700  366.049   80.609  334.669  103.745 31.37915 131.3806 
1 1 1   31   26   13 o  189.574   47.794   0.8353   0.4735   0.7911   0.5172   1.0644   1.1777  170.164   53.224  208.983   79.399 -38.81924 95.58723 
1 1 1   31   26   15 o  423.825   47.584   4.1840   0.8915   3.4321   0.9994   7.1150   1.9732  353.696   54.957  493.954   77.697 -140.2577 95.16873 
1 1 1   31   26   17 o  377.160   44.516   2.6273   0.7124   1.4527   0.7881   7.8758   1.6659  223.614   64.800  530.705   61.056 -307.0917 89.03288 
1 1 1   31   26   19 o  157.584   40.371   0.6379   0.3747   0.7472   0.4056   0.0000   0.9796  163.725   46.180  151.443   66.231 12.28162 80.74159 
1 1 1   31   26   21 o  271.654   48.932   2.5474   0.5679   2.7374   0.6057   1.1666   1.6330  320.522   36.754  222.787   90.700 97.73465 97.86356 
1 1 1   31   26   23 o  185.787   43.945   0.9379   0.3770   0.9751   0.3967   0.5900   1.2127  186.532   42.334  185.042   77.022 1.490005 87.88966 
1 1 1   31   26   25 o  280.041   49.970   2.0123   0.5126   1.8937   0.5437   2.9586   1.5358  264.755   39.947  295.326   91.609 -30.57092 99.94024 
1 1 1   31   26   27 o  147.202   46.382   0.6008   0.3920   0.6008   0.3920   0.0000   0.0000  147.202   46.382  ?   ?       ?      ? 
1 1 1   31   26   29 o  131.712   45.665   0.4525   0.3775   0.4525   0.3775   0.0000   0.0000  131.712   45.665  ?   ?       ?      ? 
1 1 1   31   26   31 o  230.882   47.733   1.5487   0.4564   1.5131   0.4850   1.8234   1.3475  230.829   42.434  230.934   85.516 -0.1042480 95.46570 
1 1 1   31   27    0 f   99.592   64.662   0.0000   0.7909   0.0000   0.0000   0.0000   0.7909   99.592   64.662   99.592   64.662 -0.000000 0.000000 
1 1 1   31   27    2 o  138.368   42.349   0.0000   0.5526   0.0000   0.7509   0.0000   0.8162  135.691   58.675  141.044   61.082 -5.352859 84.69823 
1 1 1   31   27    4 o  231.599   56.762   1.3851   0.8239   0.9320   1.0620   2.0702   1.3058  199.127   75.459  264.071   84.814 -64.94460 113.5236 
1 1 1   31   27    6 o  433.956   62.881   5.2627   1.4349   2.2805   1.8304   10.017   2.3112  277.087  100.134  590.825   76.088 -313.7376 125.7623 
1 1 1   31   27    8 o  189.307   50.244   0.5676   0.5085   0.3842   0.5523   1.5889   1.3033  140.247   54.103  238.368   84.681 -98.12151 100.4887 
1 1 1   31   27   10 o  188.662   49.722   0.8449   0.5098   0.8901   0.5453   0.5307   1.4373  179.270   54.401  198.054   83.244 -18.78386 99.44398 
1 1 1   31   27   12 o  269.418   58.292   1.9278   0.7238   1.7764   0.7946   2.6646   1.7530  247.924   62.392  290.911   98.485 -42.98782 116.5847 
1 1 1   31   27   14 o  393.957   49.801   3.7976   0.8471   3.1955   0.9533   6.0564   1.8465  341.219   54.344  446.696   83.471 -105.4769 99.60228 
1 1 1   31   27   16 o  344.720   54.818   3.1397   0.7981   2.7983   0.8908   4.5299   1.7975  313.839   57.319  375.601   93.459 -61.76221 109.6362 
1 1 1   31   27   18 o  315.438   48.300   1.8791   0.4791   1.6409   0.4993   4.6502   1.7033  247.806   39.190  383.070   88.294 -135.2639 96.60080 
1 1 1   31   27   20 o  317.152   50.525   2.6393   0.5692   2.5157   0.6063   3.5556   1.6512  306.645   38.459  327.659   93.446 -21.01407 101.0509 
1 1 1   31   27   22 f  185.711   47.401   0.9050   0.4758   0.9521   0.5112   0.6002   1.3004  182.496   51.977  188.927   79.283 -6.431137 94.80157 
1 1 1   31   27   24 o  186.865   46.804   0.8113   0.4056   0.7605   0.4304   1.2142   1.2128  163.945   47.995  209.786   80.366 -45.84039 93.60726 
1 1 1   31   27   26 o  195.415   50.042   1.1068   0.5050   1.1068   0.5050   0.0000   0.0000  195.415   50.042  ?   ?       ?      ? 
1 1 1   31   27   28 o  340.748   42.976   2.3565   0.5420   1.9094   0.5788   5.5388   1.5444  263.292   42.759  418.203   74.562 -154.9103 85.95232 
1 1 1   31   27   30 o  178.602   45.641   0.9139   0.4805   0.9762   0.5297   0.6238   1.1425  181.221   53.297  175.983   74.106 5.237885 91.28160 
1 1 1   31   28    1 o  146.341   45.036   0.0000   0.6151   0.0000   0.7750   0.0000   1.0111  137.460   59.524  155.221   67.600 -17.76064 90.07169 
1 1 1   31   28    3 o  217.005   54.657   1.2696   0.7724   1.4439   1.0309   1.0466   1.1662  225.913   75.529  208.097   79.023 17.81580 109.3131 
1 1 1   31   28    5 o  291.896   59.940   2.7208   1.0598   3.7688   1.3547   1.0675   1.7015  356.619   76.201  227.174   92.545 129.4453 119.8799 
1 1 1   31   28    7 o  205.970   56.328   0.9590   0.7906   0.9089   0.9377   1.0822   1.4703  192.312   71.313  219.627   87.212 -27.31493 112.6562 
1 1 1   31   28    9 o  266.148   54.964   2.2025   0.7594   2.3795   0.8687   1.6294   1.5636  288.365   60.526  243.931   91.764 44.43449 109.9276 
1 1 1   31   28   11 o  266.243   60.771   2.0043   0.8943   1.6808   1.0772   2.7222   1.6046  239.109   77.056  293.378   93.995 -54.26978 121.5429 
1 1 1   31   28   13 o  290.873   44.786   1.7373   0.6256   0.9274   0.7133   4.4366   1.3023  185.022   62.822  396.724   63.847 -211.7016 89.57108 
1 1 1   31   28   15 o  382.840   50.963   3.2255   0.8397   2.3930   0.9316   6.8340   1.9394  285.706   64.898  479.974   78.594 -194.2685 101.9254 
1 1 1   31   28   17 o  348.962   54.395   3.2611   0.8117   2.8880   0.9119   4.6831   1.7805  317.584   57.987  380.340   92.048 -62.75668 108.7901 
1 1 1   31   28   19 o  299.599   53.588   2.5561   0.6806   2.4665   0.7460   3.0010   1.6620  300.016   48.367  299.183   95.641 0.8334045 107.1753 
1 1 1   31   28   21 o  451.481   56.659   5.9859   0.8477   5.8800   0.9076   6.7087   2.3714  468.288   37.698  434.675  106.864 33.61346 113.3186 
1 1 1   31   28   23 o  194.589   47.681   0.9447   0.4364   0.9052   0.4652   1.2349   1.2602  177.748   49.220  211.431   81.679 -33.68326 95.36292 
1 1 1   31   28   25 o  147.286   41.594   0.6096   0.3288   0.6096   0.3288   0.0000   0.0000  147.286   41.594  ?   ?       ?      ? 
1 1 1   31   28   27 o  320.750   54.695   3.4274   0.6577   3.4667   0.7002   3.1327   1.9173  357.130   38.134  284.370  102.527 72.76031 109.3892 
1 1 1   31   28   29 o  163.300   40.958   0.7773   0.3918   0.8937   0.4201   0.0000   1.0857  175.261   46.032  151.339   67.759 23.92171 81.91642 
1 1 1   31   29    0 o  129.990   78.402   0.5124   0.9556   0.5124   0.9556   0.0000   0.0000  129.990   78.402  129.990   78.402 0.000000 0.000000 
1 1 1   31   29    2 o  412.996   67.336   5.3880   1.4016   5.0201   1.9606   5.7726   2.0046  396.688   96.951  429.303   93.472 -32.61493 134.6718 
1 1 1   31   29    4 o  261.763   62.640   2.0597   1.0037   1.9464   1.4666   2.1596   1.3766  256.660   89.956  266.866   87.194 -10.20572 125.2793 
1 1 1   31   29    6 o  261.971   65.162   1.9970   1.0362   1.9055   1.2479   2.2000   1.8593  252.798   83.039  271.145  100.443 -18.34731 130.3237 
1 1 1   31   29    8 o  233.331   52.950   1.0983   0.6230   0.6812   0.6962   2.7759   1.3961  167.913   61.589  298.749   86.150 -130.8358 105.9007 
1 1 1   31   29   10 o  266.583   59.836   1.6297   0.9607   0.5368   1.1694   3.8987   1.6850  183.981   76.029  349.184   92.418 -165.2029 119.6724 
1 1 1   31   29   12 o  166.206   46.242   0.5944   0.5214   0.7294   0.5776   0.0000   1.2116  165.990   56.529  166.421   73.197 -0.4309235 92.48462 
1 1 1   31   29   14 f  348.311   56.760   3.3305   0.8471   3.0079   0.9498   4.5846   1.8728  323.872   59.224  372.750   96.846 -48.87784 113.5193 
1 1 1   31   29   16 o  419.853   60.559   5.5907   1.0626   5.6716   1.2014   5.3001   2.2774  453.607   51.517  386.099  109.616 67.50784 121.1188 
1 1 1   31   29   18 o  388.797   41.804   2.6071   0.5525   2.1619   0.5784   7.2571   1.8692  283.613   39.665  493.981   73.600 -210.3688 83.60837 
1 1 1   31   29   20 o  135.452   38.823   0.3414   0.3222   0.3877   0.3433   0.0000   0.9329  124.575   43.529  146.329   64.297 -21.75442 77.64604 
1 1 1   31   29   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   29   24 o  225.871   44.383   1.4448   0.4970   1.4448   0.4970   0.0000   0.0000  225.871   44.383  ?   ?       ?      ? 
1 1 1   31   29   26 o  227.633   42.400   1.4640   0.4780   1.4640   0.4780   0.0000   0.0000  227.633   42.400  ?   ?       ?      ? 
1 1 1   31   29   28 o  257.945   54.236   2.2620   0.6612   2.3115   0.7095   1.9347   1.8239  281.092   50.971  234.798   95.751 46.29343 108.4721 
1 1 1   31   30    1 o  300.204   67.741   2.8101   1.1983   2.0706   1.6193   3.7054   1.7818  262.624   94.272  337.783   97.303 -75.15863 135.4814 
1 1 1   31   30    3 o  249.657   61.942   1.8443   0.9866   2.0091   1.3219   1.6370   1.4825  257.806   85.504  241.508   89.645 16.29718 123.8835 
1 1 1   31   30    5 o  237.420   60.846   1.4914   0.9575   0.9834   1.2450   2.2270   1.4981  206.105   80.749  268.735   91.042 -62.63058 121.6919 
1 1 1   31   30    7 o  205.574   55.306   0.8749   0.7772   0.4744   0.9473   1.6996   1.3594  169.442   69.042  241.706   86.419 -72.26398 110.6118 
1 1 1   31   30    9 o  201.911   52.407   0.8358   0.5792   0.6440   0.6397   1.7085   1.3645  162.249   59.110  241.574   86.558 -79.32437 104.8150 
1 1 1   31   30   11 o  201.570   50.543   1.1205   0.5780   1.2241   0.6302   0.5712   1.4509  206.247   57.350  196.893   83.243 9.353714 101.0858 
1 1 1   31   30   13 o  170.088   46.023   0.6422   0.4478   0.6533   0.4845   0.5776   1.1729  156.083   51.762  184.094   76.114 -28.01102 92.04661 
1 1 1   31   30   15 o  344.982   58.925   3.5077   0.8922   3.3456   0.9991   4.1461   1.9829  345.687   56.215  344.278  103.579 1.408569 117.8504 
1 1 1   31   30   17 o  209.392   48.441   1.3480   0.6750   1.8655   0.7940   0.0000   1.2817  250.868   61.936  167.916   74.499 82.95198 96.88187 
1 1 1   31   30   19 o  170.989   48.932   0.8320   0.4520   0.8320   0.4520   0.0000   0.0000  170.989   48.932  ?   ?       ?      ? 
1 1 1   31   30   21 o  196.379   49.673   1.1138   0.5019   1.1138   0.5019   0.0000   0.0000  196.379   49.673  ?   ?       ?      ? 
1 1 1   31   30   23 o  220.380   45.409   1.5887   0.5030   1.7326   0.5400   0.6457   1.3820  251.604   41.745  189.155   80.655 62.44890 90.81780 
1 1 1   31   30   25 o  187.191   46.970   0.5956   0.3472   0.4781   0.3618   1.9609   1.2332  133.301   44.743  241.080   82.599 -107.7785 93.93903 
1 1 1   31   30   27 o  205.699   42.795   1.4627   0.4680   1.6404   0.4956   0.0000   1.4218  244.208   39.472  167.189   75.946 77.01807 85.59078 
1 1 1   31   31    0 o  284.273  114.680   3.2050   1.6354   0.0000   0.0000   3.2050   1.6354  284.273  114.680  284.273  114.680 -0.000000 0.000000 
1 1 1   31   31    2 o  177.553   49.786   0.5334   0.7043   0.0000   0.9841   1.0935   1.0084  151.935   66.417  203.171   74.186 -51.23589 99.57256 
1 1 1   31   31    4 o  189.608   51.535   0.8176   0.7172   0.5076   1.0160   1.1256   1.0126  174.322   71.319  204.893   74.410 -30.57161 103.0693 
1 1 1   31   31    6 o  393.311   68.955   4.9596   1.3873   3.9765   1.8233   6.3109   2.1377  346.129   98.017  440.492   97.016 -94.36279 137.9109 
1 1 1   31   31    8 o  248.834   56.582   1.6857   0.7106   1.5148   0.7999   2.3256   1.5477  226.936   65.146  270.733   92.532 -43.79622 113.1643 
1 1 1   31   31   10 o  191.989   72.408   0.9275   0.9748   0.9275   0.9748   0.0000   0.0000  191.989   72.408  ?   ?       ?      ? 
1 1 1   31   31   12 o  234.080   62.594   1.6174   0.7679   1.6174   0.7679   0.0000   0.0000  234.080   62.594  ?   ?       ?      ? 
1 1 1   31   31   14 o  219.240   55.133   1.3151   0.7479   1.0758   0.9175   1.7889   1.2910  197.409   70.954  241.071   84.405 -43.66133 110.2658 
1 1 1   31   31   16 f  193.871   64.744   1.0796   0.7575   1.0796   0.7575   0.0000   0.0000  193.871   64.744  ?   ?       ?      ? 
1 1 1   31   31   18 o  201.615   39.475   1.1311   0.3945   1.1311   0.3945   0.0000   0.0000  201.615   39.475  ?   ?       ?      ? 
1 1 1   31   31   20 o  203.091   45.714   1.0675   0.3654   1.0481   0.3812   1.2886   1.2850  193.535   39.642  212.648   82.388 -19.11356 91.42876 
1 1 1   31   31   22 o  166.727   45.356   0.6611   0.4615   0.6623   0.5089   0.6555   1.0942  155.319   53.063  178.136   73.572 -22.81664 90.71136 
1 1 1   31   31   24 o  307.864   55.564   3.3512   0.7063   3.4458   0.7529   2.6571   2.0395  353.748   41.397  261.980  103.131 91.76746 111.1288 
1 1 1   31   31   26 o  190.810   49.002   0.8732   0.3799   0.8431   0.3918   1.3453   1.5502  170.460   44.302  211.161   87.420 -40.70163 98.00496 
1 1 1   31   32    1 o  177.603   51.483   0.5471   0.7324   0.5397   1.2023   0.5514   0.9236  184.283   76.697  170.922   68.699 13.36142 102.9659 
1 1 1   31   32    3 o  228.952   55.508   1.3003   0.9015   2.6187   1.2794   0.0000   1.2706  288.935   82.206  168.969   74.609 119.9651 111.0151 
1 1 1   31   32    5 f  257.146   82.339   2.0510   1.2314   2.0510   1.2314   0.0000   0.0000  257.146   82.339  ?   ?       ?      ? 
1 1 1   31   32    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   32    9 o  184.773   68.059   0.8847   0.8514   0.8847   0.8514   0.0000   0.0000  184.773   68.059  ?   ?       ?      ? 
1 1 1   31   32   11 f  166.921   48.923   0.4229   0.6277   0.3556   0.7380   0.5991   1.1937  149.270   60.895  184.571   76.587 -35.30049 97.84557 
1 1 1   31   32   13 o  233.012   56.030   1.2347   0.8665   0.1922   1.0919   3.0075   1.4240  163.426   70.712  302.598   86.933 -139.1728 112.0603 
1 1 1   31   32   15 o  234.453   64.497   1.6571   0.8018   1.6571   0.8018   0.0000   0.0000  234.453   64.497  ?   ?       ?      ? 
1 1 1   31   32   17 o  255.177   51.617   1.7545   0.5548   1.6246   0.5996   2.5290   1.4640  237.495   50.648  272.860   89.956 -35.36491 103.2344 
1 1 1   31   32   19 o  169.457   44.632   0.5199   0.3409   0.4376   0.3585   1.2978   1.1020  129.678   44.531  209.236   77.363 -79.55873 89.26410 
1 1 1   31   32   21 o  189.558   48.177   0.9076   0.4862   0.8221   0.5332   1.3291   1.1843  168.957   54.187  210.159   79.675 -41.20190 96.35490 
1 1 1   31   32   23 o  188.521   45.425   0.6143   0.3462   0.4689   0.3636   2.0234   1.1321  132.212   44.852  244.830   79.007 -112.6174 90.85048 
1 1 1   31   33    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   33    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   33    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   33    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   33    8 o  243.744   90.216   1.8251   1.4993   0.0000   0.0000   1.8251   1.4993  ?   ?   243.744   90.216      ?      ? 
1 1 1   31   33   10 o  156.521   42.411   0.5751   0.4613   0.7420   0.5240   0.0000   0.9726  163.968   53.804  149.074   65.574 14.89412 84.82201 
1 1 1   31   33   12 o  519.240   52.706   6.9104   1.2744   5.3405   1.4694   11.677   2.5603  426.175   67.062  612.305   81.330 -186.1307 105.4126 
1 1 1   31   33   14 o  254.811   48.664   2.0910   0.6913   2.6979   0.9049   1.2404   1.0712  302.170   60.357  207.451   76.353 94.71942 97.32786 
1 1 1   31   33   16 o  205.048   51.151   1.1854   0.5928   1.1629   0.6654   1.2717   1.3045  197.945   60.105  212.150   82.784 -14.20564 102.3023 
1 1 1   31   33   18 o  351.981   54.680   3.2283   0.7011   2.9382   0.7503   5.2232   1.9674  325.990   44.768  377.973   99.777 -51.98318 109.3598 
1 1 1   31   33   20 o  168.814   44.803   0.6417   0.3092   0.6402   0.3174   0.6696   1.3664  150.293   40.268  187.336   80.048 -37.04362 89.60563 
1 1 1   31   33   22 o  177.676   45.762   0.8365   0.4017   0.8520   0.4216   0.6840   1.3219  171.046   46.651  184.307   78.743 -13.26103 91.52499 
1 1 1   31   34    1 o  609.950   70.726   12.468   2.1478   14.062   3.0547   10.909   3.0203  663.700   89.522  556.200  109.520 107.5004 141.4527 
1 1 1   31   34    3 o  327.779   67.603   3.6857   1.2107   3.8197   1.6403   3.5254   1.7943  337.633   91.993  317.926   99.086 19.70615 135.2060 
1 1 1   31   34    5 o  176.164   50.135   0.4697   0.7005   0.0000   0.8959   1.2088   1.1237  143.835   63.110  208.493   77.918 -64.65797 100.2703 
1 1 1   31   34    7 o  335.017   65.230   3.9089   1.2357   5.1520   1.6853   2.4638   1.8171  400.566   84.492  269.467   99.402 131.0990 130.4591 
1 1 1   31   34    9 o  217.293   56.572   1.3869   0.8337   1.5015   1.1278   1.2488   1.2378  222.747   78.812  211.838   81.181 10.90860 113.1446 
1 1 1   31   34   11 o  222.940   53.023   1.1746   0.6531   0.7390   0.7520   2.5116   1.3176  170.471   63.734  275.409   84.757 -104.9378 106.0463 
1 1 1   31   34   13 o  195.915   52.276   0.7621   0.6200   0.4487   0.7008   1.8918   1.3304  150.426   60.059  241.404   85.579 -90.97765 104.5512 
1 1 1   31   34   15 o  406.417   60.331   4.9403   1.1152   4.2025   1.3014   6.9795   2.1637  367.590   71.438  445.244   97.243 -77.65390 120.6625 
1 1 1   31   34   17 o  145.896   39.673   0.4846   0.2620   0.5112   0.2691   0.0000   1.1498  135.165   37.441  156.626   69.957 -21.46117 79.34653 
1 1 1   31   34   19 o  210.025   46.942   1.2440   0.4117   1.2337   0.4318   1.3478   1.3684  208.485   41.737  211.565   84.096 -3.079956 93.88364 
1 1 1   31   34   21 o  263.964   52.559   2.0869   0.6120   1.9511   0.6707   2.7626   1.4961  256.385   52.644  271.544   90.987 -15.15869 105.1187 
1 1 1   31   35    0 o  137.915   85.043   0.5796   1.1797   0.0000   0.0000   0.5796   1.1797  137.915   85.043  137.915   85.043 -0.000000 0.000000 
1 1 1   31   35    2 o  292.874   64.266   2.8126   1.1268   1.6876   1.5297   4.1471   1.6661  235.534   90.251  350.214   91.516 -114.6802 128.5318 
1 1 1   31   35    4 o  349.143   69.513   4.3109   1.3155   4.9589   1.8604   3.6631   1.8603  379.712   95.414  318.575  101.117 61.13696 139.0269 
1 1 1   31   35    6 o  203.723   54.538   1.1448   0.7799   1.0648   1.0441   1.2457   1.1729  197.792   74.854  209.654   79.337 -11.86172 109.0754 
1 1 1   31   35    8 o  209.629   53.425   1.2183   0.7807   0.5183   1.1105   1.9025   1.0979  175.032   73.349  244.226   77.697 -69.19409 106.8503 
1 1 1   31   35   10 o  209.934   55.077   1.0655   0.6490   0.8720   0.7185   1.9225   1.5122  177.309   62.888  242.559   90.438 -65.24998 110.1544 
1 1 1   31   35   12 o  445.828   58.928   5.1924   1.2025   3.5721   1.3799   10.308   2.4518  328.714   81.940  562.942   84.712 -234.2275 117.8570 
1 1 1   31   35   14 o  251.501   63.222   2.0911   0.9835   1.8432   1.2035   2.5892   1.7061  236.539   81.569  266.463   96.617 -29.92436 126.4450 
1 1 1   31   35   16 o  261.753   39.937   1.4360   0.4059   1.1300   0.4384   3.2773   1.0754  198.518   44.097  324.988   66.599 -126.4702 79.87449 
1 1 1   31   35   18 o  259.810   54.677   1.6649   0.5363   1.4760   0.5649   3.3886   1.7062  223.867   50.308  295.752   97.094 -71.88501 109.3535 
1 1 1   31   36    1 o  292.982   57.277   2.6650   1.1434   5.2152   1.5996   0.0000   1.6352  404.052   79.831  181.913   82.155 222.1389 114.5536 
1 1 1   31   36    3 o  276.201   57.814   2.3521   1.0343   0.5682   1.4354   4.2789   1.4918  189.746   81.585  362.657   81.939 -172.9108 115.6289 
1 1 1   31   36    5 o  245.560   59.032   1.8019   0.9887   0.5563   1.3724   3.1460   1.4256  186.651   80.001  304.470   86.827 -117.8193 118.0640 
1 1 1   31   36    7 o  134.987   41.989   0.0000   0.5565   0.0000   0.7252   0.0000   0.8679  129.740   56.857  140.233   61.804 -10.49217 83.97893 
1 1 1   31   36    9 o  186.256   51.899   0.8813   0.7337   1.0417   0.9575   0.6531   1.1421  192.376   71.917  180.137   74.845 12.23895 103.7972 
1 1 1   31   36   11 o  145.080   42.773   0.2540   0.4409   0.1491   0.4949   0.6576   0.9706  117.361   49.057  172.799   70.082 -55.43857 85.54610 
1 1 1   31   36   13 o  227.896   55.831   1.7148   0.7652   1.8321   0.8720   1.3221   1.5955  240.717   67.649  215.075   88.837 25.64215 111.6617 
1 1 1   31   36   15 o  213.841   48.305   0.8648   0.4188   0.6472   0.4435   2.6586   1.2732  151.392   49.491  276.291   82.971 -124.8996 96.61060 
1 1 1   31   36   17 o  386.169   55.521   4.2757   0.7893   3.9658   0.8525   6.1333   2.0874  376.331   44.063  396.007  101.926 -19.67609 111.0429 
1 1 1   31   37    0 o  229.899  110.438   2.4138   1.5079   0.0000   0.0000   2.4138   1.5079  229.899  110.438  229.899  110.438 -0.000000 0.000000 
1 1 1   31   37    2 o  173.944   50.830   0.6019   0.7388   0.5857   1.0760   0.6163   1.0161  174.559   72.596  173.329   71.165 1.229965 101.6598 
1 1 1   31   37    4 o  370.617   70.456   5.0949   1.3867   5.7351   1.9316   4.4141   1.9920  402.900   94.826  338.333  104.232 64.56723 140.9124 
1 1 1   31   37    6 o  173.362   49.149   0.6256   0.7020   1.1079   0.9342   0.0000   1.0640  194.885   71.366  151.839   67.595 43.04626 98.29705 
1 1 1   31   37    8 o  201.710   54.383   1.1740   0.7693   1.0782   0.9881   1.3214   1.2261  193.721   72.933  209.698   80.690 -15.97708 108.7664 
1 1 1   31   37   10 o  275.005   57.317   2.1325   0.8144   1.4229   0.9551   4.0227   1.5587  212.216   72.691  337.794   88.641 -125.5777 114.6349 
1 1 1   31   37   12 o  245.625   54.641   1.5443   0.6972   0.9828   0.7970   3.3745   1.4389  183.268   66.099  307.982   87.025 -124.7134 109.2812 
1 1 1   31   37   14 o  256.041   60.381   1.6445   0.7568   1.1403   0.8317   4.0707   1.8246  192.634   67.731  319.448   99.980 -126.8134 120.7617 
1 1 1   31   38    1 o  320.884   71.228   3.9788   1.3133   3.6200   1.8387   4.3526   1.8766  304.980  100.826  336.787  100.637 -31.80698 142.4559 
1 1 1   31   38    3 o  296.874   69.571   3.3597   1.2409   2.9562   1.7050   3.8141   1.8095  279.204   97.040  314.544   99.717 -35.34045 139.1412 
1 1 1   31   38    5 o  292.976   55.819   2.7221   1.0433   0.5789   1.4197   5.2385   1.5383  185.215   80.384  400.737   77.469 -215.5215 111.6382 
1 1 1   31   38    7 o  217.139   57.413   1.5260   0.8667   1.6724   1.1534   1.3360   1.3136  224.713   79.679  209.565   82.680 15.14804 114.8253 
1 1 1   31   38    9 o  185.155   51.924   0.9265   0.7372   1.0831   0.9428   0.6802   1.1827  191.105   71.381  179.204   75.427 11.90105 103.8479 
1 1 1   31   38   11 o  273.098   57.745   2.5640   0.8251   2.4919   0.9699   2.7530   1.5699  278.185   68.315  268.011   93.119 10.17392 115.4905 
1 1 1   31   39    0 o  287.653  122.763   3.7688   1.8501   0.0000   0.0000   3.7688   1.8501  287.653  122.763  287.653  122.763 -0.000000 0.000000 
1 1 1   31   39    2 o  193.313   53.385   0.8378   0.8159   0.0000   1.0862   1.9230   1.2361  150.966   67.670  235.661   82.586 -84.69450 106.7696 
1 1 1   31   39    4 o  244.921   63.345   2.1937   1.0466   2.3865   1.4235   1.9669   1.5440  255.072   88.667  234.770   90.491 20.30223 126.6904 
1 1 1   32    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0   12 o  474.280   67.184   6.2529   1.5434   0.0000   0.0000   6.2529   1.5434  474.280   67.184  474.280   67.184 0.000000 0.000000 
1 1 1   32    0   14 o  239.469   55.069   1.6652   0.6743   3.3871   1.1574   0.7804   0.8296  335.216   77.140  143.722   78.610 0.000000 0.000000 
1 1 1   32    0   16 o  867.875   54.937   21.407   2.2147   17.822   3.6862   23.432   2.7704  796.275   93.406  939.474   57.859 0.000000 0.000000 
1 1 1   32    0   18 o  110.095   46.325   0.3569   0.4599   0.0000   0.8475   0.5058   0.5476  103.663   67.168  116.526   63.817 0.000000 0.000000 
1 1 1   32    0   20 o  161.716   57.891   1.0510   0.6221   0.5909   1.1488   1.2419   0.7399  142.217   85.871  181.214   77.664 0.000000 0.000000 
1 1 1   32    0   22 o  158.443   56.336   1.0027   0.5618   0.6002   1.1754   1.1219   0.6396  143.207   86.665  173.678   72.002 0.000000 0.000000 
1 1 1   32    0   24 o  523.169   53.838   7.5196   1.3256   8.9966   2.1879   6.6629   1.6662  561.386   80.634  484.953   71.360 0.000000 0.000000 
1 1 1   32    0   26 o  177.791   59.564   1.1933   0.5918   1.5113   1.0200   1.0319   0.7265  194.038   91.097  161.544   76.765 0.000000 0.000000 
1 1 1   32    0   28 o  110.326   67.757   0.2987   0.7422   0.2987   0.7422   0.0000   0.0000  110.326   67.757  110.326   67.757 0.000000 0.000000 
1 1 1   32    0   30 o  155.002   54.458   0.9833   0.5488   0.5998   0.9874   1.1547   0.6601  135.247   80.634  174.756   73.218 0.000000 0.000000 
1 1 1   32    0   32 o  153.044   55.343   0.9040   0.5377   1.1967   0.8807   0.7300   0.6790  170.799   84.039  135.290   72.033 0.000000 0.000000 
1 1 1   32    0   34 o  307.937   65.723   3.3984   0.9216   3.8309   1.1885   2.7463   1.4595  355.541   73.689  260.333  108.849 -0.000000 0.000000 
1 1 1   32    0   36 o  187.796   61.038   1.4207   0.6315   1.5675   1.0333   1.3333   0.7979  192.885   91.559  182.706   80.743 0.000000 0.000000 
1 1 1   32    0   38 o  130.300   49.775   0.6946   0.4769   0.8346   0.5585   0.3182   0.9159  143.961   67.431  116.639   73.234 -0.000000 0.000000 
1 1 1   32    0   40 o  151.062   84.898   0.9839   0.9988   0.9839   0.9988   0.0000   0.0000  151.062   84.898  151.062   84.898 0.000000 0.000000 
1 1 1   32    1    1 o  930.556   53.514   23.464   2.5588   23.532   3.6809   23.401   3.5596  931.081   76.895  930.032   74.444 1.049011 107.0273 
1 1 1   32    1    3 o  382.898   78.634   4.1164   1.4962   0.0000   0.0000   4.1164   1.4962  ?   ?   382.898   78.634      ?      ? 
1 1 1   32    1    5 o  156.396   57.578   0.5273   0.6093   0.0000   0.0000   0.5273   0.6093  ?   ?   156.396   57.578      ?      ? 
1 1 1   32    1    7 o  377.958   71.125   3.9672   1.3314   0.0000   0.0000   3.9672   1.3314  ?   ?   377.958   71.125      ?      ? 
1 1 1   32    1    9 o  567.780   45.488   8.6383   1.3248   9.4590   1.9063   7.8716   1.8423  594.550   62.364  541.011   66.236 53.53870 90.97502 
1 1 1   32    1   11 o  484.433   62.662   6.2953   1.5607   6.2953   1.5607   0.0000   0.0000  484.433   62.662  ?   ?       ?      ? 
1 1 1   32    1   13 o  473.355   61.013   7.0633   1.3309   8.6908   1.6741   4.2682   2.1939  570.611   57.066  376.100  107.862 194.5117 122.0270 
1 1 1   32    1   15 o  322.919   43.048   2.8239   0.6802   2.9711   1.1072   2.7347   0.8621  325.153   68.397  320.685   52.292 4.468353 86.09628 
1 1 1   32    1   17 o  545.523   34.597   7.8995   0.9700   7.6672   1.3708   8.1326   1.3729  537.241   49.629  553.806   48.217 -16.56476 69.19427 
1 1 1   32    1   19 o  188.624   40.352   0.9697   0.4275   1.1010   0.5971   0.8317   0.6122  199.444   55.958  177.804   58.152 21.63979 80.70309 
1 1 1   32    1   21 f  306.574   53.146   2.6746   0.7578   2.6415   0.8803   2.7694   1.4895  308.259   57.662  304.889   89.293 3.369202 106.2929 
1 1 1   32    1   23 f  333.671   39.702   3.1235   0.6446   4.0498   0.9106   2.1928   0.9127  390.146   45.395  277.197   65.147 112.9484 79.40333 
1 1 1   32    1   25 o  287.438   39.253   2.3051   0.5588   2.2557   0.7751   2.3586   0.8063  284.345   55.007  290.531   56.012 -6.185944 78.50553 
1 1 1   32    1   27 o  218.105   47.345   1.3943   0.5948   0.8638   1.0176   1.6696   0.7331  194.044   73.787  242.165   59.344 -48.12181 94.69028 
1 1 1   32    1   29 o  324.996   51.325   2.8669   0.8576   2.8669   0.8576   0.0000   0.0000  324.996   51.325  ?   ?       ?      ? 
1 1 1   32    1   31 o  223.324   34.937   1.4436   0.4391   0.4117   0.6346   2.3915   0.6082  147.083   57.644  299.566   39.492 -152.4834 69.87438 
1 1 1   32    1   33 o  498.636   35.098   6.8211   0.8966   6.2086   1.2698   7.4300   1.2660  474.766   52.023  522.505   47.129 -47.73843 70.19603 
1 1 1   32    1   35 f  175.600   38.568   0.8770   0.3904   0.6902   0.5814   1.0305   0.5270  161.788   56.640  189.411   52.364 -27.62308 77.13668 
1 1 1   32    1   37 o  153.347   35.213   0.6194   0.3388   0.2856   0.4840   0.9400   0.4743  125.979   50.033  180.715   49.562 -54.73648 70.42524 
1 1 1   32    1   39 o  354.602   50.759   3.8606   0.8342   4.1035   1.5338   3.7586   0.9940  346.469   86.400  362.734   53.301 -16.26511 101.5179 
1 1 1   32    1   41 o  265.035   48.443   2.0605   0.7706   0.6004   1.0108   4.0866   1.1908  169.100   70.348  360.971   66.618 -191.8718 96.88573 
1 1 1   32    2    0 o  204.477   74.375   1.4536   0.7193   1.4536   0.7193   0.0000   0.0000  204.477   74.375  204.477   74.375 0.000000 0.000000 
1 1 1   32    2    2 o  298.108   50.675   2.6121   0.7583   1.8101   1.3481   2.9832   0.9171  260.042   86.351  336.174   53.061 -76.13168 101.3510 
1 1 1   32    2    4 o  364.490   53.123   4.0807   0.9093   2.5801   1.6030   4.7927   1.1042  302.407   93.558  426.574   50.349 -124.1671 106.2457 
1 1 1   32    2    6 o  362.845   51.502   3.4738   0.9608   0.0000   0.0000   3.4738   0.9608  ?   ?   362.845   51.502      ?      ? 
1 1 1   32    2    8 o  257.016   66.717   1.8410   0.8893   0.0000   0.0000   1.8410   0.8893  ?   ?   257.016   66.717      ?      ? 
1 1 1   32    2   10 o  325.881   71.986   2.9832   1.1739   2.9832   1.1739   0.0000   0.0000  325.881   71.986  ?   ?       ?      ? 
1 1 1   32    2   12 o  159.336   41.859   0.5378   0.4623   0.3377   0.7024   0.6908   0.6140  150.659   60.136  168.014   58.245 -17.35460 83.71875 
1 1 1   32    2   14 o  613.443   62.203   10.131   1.9618   10.131   1.9618   0.0000   0.0000  613.443   62.203  ?   ?       ?      ? 
1 1 1   32    2   16 o  180.147   38.143   0.6403   0.3989   1.5659   0.6993   0.1938   0.4857  237.130   57.869  123.165   49.707 113.9645 76.28668 
1 1 1   32    2   18 o  192.717   38.627   1.0120   0.4025   1.2056   0.5881   0.8415   0.5519  208.432   54.330  177.003   54.921 31.42929 77.25364 
1 1 1   32    2   20 o  169.747   36.665   0.7577   0.3739   0.3524   0.5453   1.1175   0.5138  138.620   53.681  200.874   49.956 -62.25351 73.32958 
1 1 1   32    2   22 o  250.931   40.747   1.7680   0.5147   1.8332   0.7331   1.7046   0.7228  255.673   57.199  246.189   58.049 9.484238 81.49481 
1 1 1   32    2   24 o  233.476   41.192   1.5368   0.4949   1.3262   0.6909   1.7589   0.7093  216.822   59.963  250.130   56.493 -33.30775 82.38335 
1 1 1   32    2   26 o  215.849   42.641   1.4550   0.5439   0.2774   1.0006   1.9490   0.6480  166.078   69.612  265.620   49.268 -99.54208 85.28277 
1 1 1   32    2   28 o  171.728   38.364   0.7661   0.3832   0.5429   0.5086   1.0592   0.5829  149.226   52.914  194.230   55.564 -45.00398 76.72845 
1 1 1   32    2   30 o  237.186   54.281   1.6374   0.7380   1.6564   0.9173   1.6024   1.2427  237.767   70.199  236.605   82.810 1.162445 108.5611 
1 1 1   32    2   32 o  260.260   39.876   1.9913   0.5391   2.7748   0.7450   1.1301   0.7811  320.461   45.218  200.058   65.695 120.4031 79.75243 
1 1 1   32    2   34 o  217.593   44.700   1.1768   0.4874   2.0260   0.9501   0.8736   0.5678  258.764   69.809  176.421   55.848 82.34378 89.39965 
1 1 1   32    2   36 o  128.198   34.034   0.3211   0.3053   0.1566   0.3965   0.5609   0.4786  109.403   44.632  146.994   51.394 -37.59153 68.06863 
1 1 1   32    2   38 o  238.537   43.092   1.3899   0.5518   3.0354   0.9773   0.6200   0.6685  318.384   61.933  158.689   59.933 159.6948 86.18439 
1 1 1   32    2   40 o  260.569   45.023   2.0278   0.6027   1.4588   0.7845   2.8474   0.9415  215.930   65.191  305.208   62.115 -89.27792 90.04504 
1 1 1   32    3    1 f  448.704   39.326   5.3367   0.9036   4.7662   1.2701   5.9215   1.2857  423.746   58.298  473.663   52.798 -49.91748 78.65289 
1 1 1   32    3    3 o  286.969   41.552   2.2521   0.6016   1.8548   0.8649   2.6245   0.8374  258.460   65.120  315.478   51.629 -57.01874 83.10362 
1 1 1   32    3    5 o  240.965   41.002   1.5907   0.5022   1.8146   0.7369   1.3966   0.6863  256.782   57.277  225.149   58.687 31.63319 82.00480 
1 1 1   32    3    7 o  431.584   62.940   4.9820   1.3966   0.0000   0.0000   4.9820   1.3966  ?   ?   431.584   62.940      ?      ? 
1 1 1   32    3    9 o  295.246   64.957   2.4246   0.9592   0.0000   0.0000   2.4246   0.9592  ?   ?   295.246   64.957      ?      ? 
1 1 1   32    3   11 o  373.542   62.056   3.7419   1.1918   0.0000   0.0000   3.7419   1.1918  ?   ?   373.542   62.056      ?      ? 
1 1 1   32    3   13 o  148.430   39.687   0.4255   0.4300   0.0000   0.7136   0.6681   0.5387  134.233   57.614  162.627   54.598 -28.39444 79.37489 
1 1 1   32    3   15 o  712.217   49.188   13.441   1.8011   13.441   1.8011   0.0000   0.0000  712.217   49.188  ?   ?       ?      ? 
1 1 1   32    3   17 o  418.470   64.057   4.7546   1.3782   4.7546   1.3782   0.0000   0.0000  418.470   64.057  ?   ?       ?      ? 
1 1 1   32    3   19 o  209.816   39.342   1.2248   0.4386   1.5170   0.6192   0.9305   0.6213  233.839   52.759  185.792   58.375 48.04634 78.68384 
1 1 1   32    3   21 o  339.684   36.216   3.0900   0.6325   3.0814   0.8959   3.0986   0.8929  339.169   51.380  340.200   51.052 -1.031616 72.43124 
1 1 1   32    3   23 o  228.440   39.672   1.4664   0.4625   1.4589   0.6590   1.4736   0.6493  227.785   56.535  229.096   55.671 -1.311417 79.34441 
1 1 1   32    3   25 o  262.829   59.847   1.9581   0.7906   0.0000   0.0000   1.9581   0.7906  ?   ?   262.829   59.847      ?      ? 
1 1 1   32    3   27 o  211.800   42.761   1.2743   0.4832   1.3145   0.6194   1.2119   0.7724  215.703   55.523  207.896   65.048 7.806976 85.52224 
1 1 1   32    3   29 o  164.778   38.374   0.7228   0.3765   0.7346   0.5451   0.7121   0.5206  166.111   54.896  163.445   53.634 2.666077 76.74764 
1 1 1   32    3   31 o  135.236   40.535   0.0956   0.4470   0.0000   0.5298   0.3320   0.8330  114.555   49.411  155.917   64.273 -41.36163 81.07088 
1 1 1   32    3   33 o  176.438   37.711   0.8778   0.3718   0.9411   0.5078   0.8045   0.5460  182.212   51.772  170.663   54.846 11.54872 75.42104 
1 1 1   32    3   35 f  196.505   36.542   1.1032   0.4029   1.6580   0.5691   0.5458   0.5704  242.412   47.360  150.597   55.663 91.81523 73.08453 
1 1 1   32    3   37 o  175.751   37.446   0.7914   0.4005   1.4335   0.6041   0.2877   0.5350  221.480   53.627  130.023   52.277 91.45763 74.89189 
1 1 1   32    3   39 o  201.087   42.876   1.1982   0.4727   1.0801   0.6093   1.3768   0.7494  190.408   57.444  211.765   63.667 -21.35703 85.75114 
1 1 1   32    3   41 o  139.439   38.377   0.4456   0.3701   0.4787   0.4332   0.3559   0.7126  135.634   48.751  143.244   59.284 -7.610413 76.75476 
1 1 1   32    4    0 o  147.482   70.889   0.8395   0.6214   0.8395   0.6214   0.0000   0.0000  147.482   70.889  147.482   70.889 0.000000 0.000000 
1 1 1   32    4    2 o  174.238   39.207   0.7412   0.4124   0.3971   0.5622   1.1419   0.6067  144.104   54.832  204.372   56.056 -60.26764 78.41447 
1 1 1   32    4    4 o  363.579   38.286   3.4908   0.7149   3.6200   1.0405   3.3753   0.9839  369.830   54.723  357.328   53.559 12.50189 76.57127 
1 1 1   32    4    6 o  335.841   48.576   3.4047   0.7637   2.2728   1.3450   3.9433   0.9278  284.264   85.257  387.418   46.580 -103.1539 97.15174 
1 1 1   32    4    8 o  714.072   67.070   13.729   2.4623   13.729   2.4623   0.0000   0.0000  714.072   67.070  ?   ?       ?      ? 
1 1 1   32    4   10 o  191.046   44.771   0.9009   0.5052   1.1852   0.8090   0.7191   0.6468  210.315   66.676  171.776   59.766 38.53905 89.54160 
1 1 1   32    4   12 o  226.312   55.810   1.4164   0.6453   0.0000   0.0000   1.4164   0.6453  ?   ?   226.312   55.810      ?      ? 
1 1 1   32    4   14 o  227.590   49.710   1.4424   0.6277   1.1948   1.0938   1.5640   0.7665  218.444   77.578  236.737   62.178 -18.29243 99.42088 
1 1 1   32    4   16 o  259.811   51.806   1.9734   0.7195   1.5034   1.2240   2.2215   0.8893  238.063   82.250  281.559   63.009 -43.49605 103.6114 
1 1 1   32    4   18 o  411.586   62.770   4.6009   1.3283   4.6009   1.3283   0.0000   0.0000  411.586   62.770  ?   ?       ?      ? 
1 1 1   32    4   20 o  379.376   49.242   4.1794   0.9207   6.7311   1.3374   1.8809   1.2693  501.386   51.883  257.367   83.709 244.0197 98.48411 
1 1 1   32    4   22 o  224.204   41.308   1.4140   0.4809   1.4527   0.6884   1.3772   0.6720  227.122   58.572  221.286   58.264 5.836395 82.61556 
1 1 1   32    4   24 o  436.452   54.516   5.6427   1.1485   4.6889   1.7944   6.3046   1.4949  393.086   90.642  479.818   60.598 -86.73163 109.0328 
1 1 1   32    4   26 o  244.426   40.217   1.6910   0.4958   1.7519   0.6884   1.6253   0.7149  249.566   55.121  239.286   58.579 10.27937 80.43494 
1 1 1   32    4   28 o  285.863   40.282   2.3062   0.5712   2.4469   0.8123   2.1686   0.8033  295.266   55.549  276.459   58.352 18.80719 80.56460 
1 1 1   32    4   30 o  388.429   34.884   4.0969   0.6953   4.3648   0.9816   3.8273   0.9850  401.924   47.502  374.934   51.099 26.98993 69.76761 
1 1 1   32    4   32 o  258.554   52.304   1.6283   0.7502   0.7656   0.9116   3.4392   1.3207  181.644   69.653  335.464   78.045 -153.8198 104.6071 
1 1 1   32    4   34 o  363.843   40.727   3.9561   0.6921   5.5607   0.9669   2.2696   0.9912  454.127   41.411  273.560   70.141 180.5677 81.45352 
1 1 1   32    4   36 o  210.320   38.121   1.2616   0.4365   1.8854   0.6389   0.7155   0.5978  257.009   50.152  163.632   57.425 93.37691 76.24216 
1 1 1   32    4   38 o  146.319   38.123   0.5309   0.3740   0.5303   0.4873   0.5319   0.5834  143.926   51.710  148.712   56.030 -4.785339 76.24511 
1 1 1   32    4   40 o  283.948   39.408   2.3989   0.5615   2.7370   0.7830   2.0408   0.8057  310.664   49.022  257.233   61.716 53.43100 78.81635 
1 1 1   32    5    1 o  539.698   38.295   7.7298   1.0539   8.9176   1.5005   6.5735   1.4806  581.835   50.163  497.561   57.877 84.27423 76.59028 
1 1 1   32    5    3 o  200.858   41.542   1.0959   0.4597   0.9257   0.6632   1.2533   0.6376  188.083   60.449  213.634   56.999 -25.55153 83.08459 
1 1 1   32    5    5 o  208.611   39.127   1.1537   0.4337   1.5962   0.6557   0.8094   0.5783  241.083   54.217  176.139   56.429 64.94350 78.25433 
1 1 1   32    5    7 o  299.402   49.090   2.3786   0.7423   3.4580   1.1796   1.6711   0.9551  353.289   67.405  245.515   71.387 107.7735 98.18060 
1 1 1   32    5    9 o  295.434   49.079   2.4822   0.7328   2.1255   1.1017   2.7652   0.9814  274.552   75.635  316.316   62.566 -41.76401 98.15843 
1 1 1   32    5   11 f  290.242   48.694   2.3861   0.7112   2.2078   1.0920   2.5174   0.9373  279.293   74.625  301.191   62.574 -21.89859 97.38824 
1 1 1   32    5   13 o  128.333   33.797   0.3394   0.2988   0.3018   0.4335   0.3734   0.4124  126.264   48.125  130.403   47.466 -4.139107 67.59492 
1 1 1   32    5   15 o  369.885   54.171   4.3267   0.8946   2.8283   1.7322   4.8718   1.0448  310.649   97.445  429.121   47.356 -118.4717 108.3426 
1 1 1   32    5   17 o  237.019   42.488   1.2238   0.5028   2.6560   0.9632   0.6874   0.5895  308.102   62.937  165.937   57.096 142.1656 84.97625 
1 1 1   32    5   19 o  326.228   90.338   3.1759   1.5670   3.1759   1.5670   0.0000   0.0000  326.228   90.338  ?   ?       ?      ? 
1 1 1   32    5   21 o  247.442   43.617   1.5878   0.6022   2.8973   0.9273   0.6326   0.7920  322.878   57.991  172.006   65.169 150.8722 87.23460 
1 1 1   32    5   23 o  195.357   39.747   0.7710   0.4860   1.9972   0.7823   0.0000   0.6203  266.239   58.728  124.475   53.577 141.7634 79.49481 
1 1 1   32    5   25 o  330.087   38.361   3.0510   0.6208   3.5985   0.8537   2.4365   0.9043  367.275   45.209  292.900   61.987 74.37521 76.72226 
1 1 1   32    5   27 o  208.490   38.413   1.2247   0.4156   1.2041   0.5747   1.2473   0.6017  206.785   53.611  210.195   55.029 -3.410095 76.82688 
1 1 1   32    5   29 o  425.799   34.352   4.8871   0.7504   4.4706   1.0360   5.3470   1.0885  406.319   49.591  445.278   47.548 -38.95837 68.70301 
1 1 1   32    5   31 o  323.749   35.712   2.8597   0.5944   2.9082   0.8467   2.8125   0.8345  326.482   50.442  321.016   50.565 5.465637 71.42319 
1 1 1   32    5   33 o  238.707   41.574   1.5551   0.5133   2.3805   0.8192   1.0215   0.6587  287.694   57.394  189.720   60.163 97.97467 83.14864 
1 1 1   32    5   35 o  373.528   35.894   3.8610   0.6885   3.6818   0.9462   4.0626   1.0037  364.483   50.494  382.573   51.029 -18.09048 71.78839 
1 1 1   32    5   37 f  194.599   46.979   1.1197   0.5680   0.8336   0.9440   1.2821   0.7112  182.258   70.614  206.939   61.981 -24.68123 93.95763 
1 1 1   32    5   39 f  261.663   41.069   2.0462   0.5379   1.8364   0.7361   2.2868   0.7881  246.453   58.895  276.872   57.253 -30.41888 82.13713 
1 1 1   32    6    0 o  535.348   55.702   7.7124   1.4951   0.0000   0.0000   7.7124   1.4951  535.348   55.702  535.348   55.702 -0.000000 0.000000 
1 1 1   32    6    2 o  402.963   51.107   4.5134   0.9638   4.6145   1.1775   4.3083   1.6776  417.426   54.868  388.501   86.239 28.92508 102.2141 
1 1 1   32    6    4 o  490.098   38.051   6.4841   0.9372   5.1810   1.3662   7.6426   1.2881  440.844   60.278  539.352   46.454 -98.50839 76.10110 
1 1 1   32    6    6 o  346.307   46.423   3.2721   0.7438   3.2904   1.3509   3.2642   0.8911  340.714   78.705  351.900   49.254 -11.18576 92.84646 
1 1 1   32    6    8 o  242.510   49.148   1.6260   0.6335   1.6341   1.0226   1.6209   0.8070  243.548   74.623  241.471   63.981 2.077499 98.29649 
1 1 1   32    6   10 o  267.359   47.149   1.8968   0.6562   2.8247   1.0263   1.2553   0.8534  318.802   64.826  215.916   68.482 102.8857 94.29846 
1 1 1   32    6   12 o  219.139   44.454   1.3663   0.5175   1.0349   0.9228   1.5183   0.6250  203.577   71.354  234.700   53.041 -31.12212 88.90858 
1 1 1   32    6   14 o  348.328   35.864   3.2199   0.6401   3.5767   0.9192   2.8840   0.8919  367.496   48.651  329.160   52.705 38.33640 71.72720 
1 1 1   32    6   16 o  216.498   35.665   1.1623   0.4408   2.2374   0.6727   0.3532   0.5836  291.029   44.961  141.967   55.377 149.0626 71.33068 
1 1 1   32    6   18 o  193.749   43.509   1.0394   0.4798   0.7017   0.8775   1.1834   0.5730  181.058   68.597  206.441   53.539 -25.38268 87.01754 
1 1 1   32    6   20 o  278.311   62.608   2.1793   1.0111   1.6631   1.3342   2.8756   1.5497  246.666   85.835  309.956   91.168 -63.29010 125.2167 
1 1 1   32    6   22 o  258.769   66.339   1.9165   0.8867   0.0000   0.0000   1.9165   0.8867  ?   ?   258.769   66.339      ?      ? 
1 1 1   32    6   24 o  318.190   42.924   2.8093   0.6655   2.6344   0.8559   3.0768   1.0583  307.395   56.226  328.985   64.872 -21.59036 85.84766 
1 1 1   32    6   26 o  500.140   37.899   6.5686   0.9522   5.8195   1.2014   7.8344   1.5617  464.592   50.296  535.687   56.706 -71.09521 75.79780 
1 1 1   32    6   28 o  252.753   39.515   1.8064   0.4998   1.7081   0.6945   1.9121   0.7198  245.359   56.254  260.146   55.508 -14.78786 79.02977 
1 1 1   32    6   30 o  425.771   34.565   4.9038   0.7522   4.2265   1.0368   5.6563   1.0928  393.723   51.220  457.818   46.429 -64.09497 69.13081 
1 1 1   32    6   32 o  621.345   44.990   10.473   1.2798   9.8965   1.4892   12.103   2.5029  602.738   48.057  639.952   76.072 -37.21399 89.98041 
1 1 1   32    6   34 o  650.055   40.124   11.425   1.3053   13.962   2.1700   9.9869   1.6340  700.886   60.221  599.225   53.039 101.6610 80.24813 
1 1 1   32    6   36 o  478.476   53.935   6.9230   1.2363   10.123   1.8705   4.4406   1.6475  591.658   61.492  365.293   88.626 226.3653 107.8696 
1 1 1   32    6   38 f  255.027   50.856   1.7321   0.6224   1.3368   0.7135   2.9894   1.2724  209.947   61.893  300.106   80.713 -90.15886 101.7123 
1 1 1   32    6   40 o  177.120   47.654   0.8071   0.5785   0.6257   0.7173   1.1444   0.9783  159.010   61.570  195.229   72.751 -36.21953 95.30835 
1 1 1   32    7    1 o  328.873   40.538   2.9147   0.6712   2.8613   0.9576   2.9662   0.9410  323.125   59.847  334.621   54.697 -11.49557 81.07643 
1 1 1   32    7    3 o  174.992   38.949   0.8055   0.3941   0.6743   0.5707   0.9251   0.5448  164.978   56.189  185.006   53.952 -20.02798 77.89810 
1 1 1   32    7    5 o  150.113   34.721   0.5384   0.3153   0.7972   0.4748   0.3344   0.4216  172.128   50.414  128.098   47.757 44.02991 69.44276 
1 1 1   32    7    7 o  378.220   48.105   3.7701   0.9013   4.7973   1.4509   3.1245   1.1502  421.859   66.895  334.580   69.150 87.27902 96.21095 
1 1 1   32    7    9 o  223.098   45.517   1.1829   0.5591   2.1338   0.9400   0.6623   0.6955  275.965   66.941  170.230   61.694 105.7347 91.03454 
1 1 1   32    7   11 o  526.016   44.746   7.3831   1.2013   8.0108   1.8370   6.9141   1.5878  544.469   65.624  507.565   60.847 36.90405 89.49210 
1 1 1   32    7   13 f  360.276   36.310   3.4547   0.6706   3.3293   0.9746   3.5674   0.9241  353.533   53.620  367.020   48.975 -13.48669 72.62003 
1 1 1   32    7   15 o  349.430   35.245   3.2472   0.6321   3.1670   0.9136   3.3208   0.8755  344.900   51.519  353.960   48.111 -9.059692 70.49037 
1 1 1   32    7   17 o  244.787   39.614   1.6661   0.4867   1.7088   0.7168   1.6296   0.6629  247.389   57.459  242.184   54.550 5.204941 79.22882 
1 1 1   32    7   19 o  241.258   45.211   1.5259   0.5353   2.0258   0.9773   1.3117   0.6398  265.910   70.385  216.607   56.764 49.30251 90.42205 
1 1 1   32    7   21 o  201.563   58.967   1.1298   0.6499   1.1298   0.6499   0.0000   0.0000  201.563   58.967  ?   ?       ?      ? 
1 1 1   32    7   23 o  270.781   58.756   2.0669   0.7945   0.0000   0.0000   2.0669   0.7945  ?   ?   270.781   58.756      ?      ? 
1 1 1   32    7   25 o  277.562   46.269   2.0785   0.6234   2.7338   1.0831   1.7538   0.7624  306.922   70.167  248.202   60.332 58.71985 92.53831 
1 1 1   32    7   27 o  281.935   41.012   2.2669   0.5664   2.4132   0.7190   2.0277   0.9194  299.840   46.639  264.030   67.475 35.81012 82.02477 
1 1 1   32    7   29 o  232.659   43.012   1.5522   0.5118   1.5353   0.6551   1.5786   0.8200  232.243   55.606  233.075   65.635 -0.8320923 86.02309 
1 1 1   32    7   31 o  198.289   37.236   1.1226   0.3898   1.3058   0.5425   0.9271   0.5605  214.884   50.035  181.693   55.158 33.19054 74.47108 
1 1 1   32    7   33 o  283.977   47.786   2.8935   0.7384   3.6501   0.8593   0.7588   1.4435  366.369   45.620  201.584   83.980 164.7849 95.57134 
1 1 1   32    7   35 o  255.656   74.536   2.0404   1.0399   2.0404   1.0399   0.0000   0.0000  255.656   74.536  ?   ?       ?      ? 
1 1 1   32    7   37 o  137.967   40.130   0.3379   0.3791   0.4006   0.4128   0.0000   0.9585  129.412   47.433  146.521   64.744 -17.10921 80.25980 
1 1 1   32    7   39 o  132.753   48.795   0.4330   0.4373   0.4330   0.4373   0.0000   0.0000  132.753   48.795  ?   ?       ?      ? 
1 1 1   32    8    0 o  458.907   56.597   5.7392   1.2808   5.7392   1.2808   0.0000   0.0000  458.907   56.597  458.907   56.597 0.000000 0.000000 
1 1 1   32    8    2 o  241.045   41.853   1.6076   0.5144   1.5982   0.7476   1.6160   0.7088  240.207   60.554  241.883   57.791 -1.676437 83.70549 
1 1 1   32    8    4 o  442.688   36.946   5.2213   0.8318   4.8806   1.2457   5.4954   1.1173  428.491   56.546  456.885   47.567 -28.39444 73.89225 
1 1 1   32    8    6 o  231.036   44.340   1.3341   0.5037   1.9193   0.9397   1.0981   0.5967  261.793   68.884  200.280   55.850 61.51292 88.68064 
1 1 1   32    8    8 o  392.619   76.482   4.3439   1.4883   4.3439   1.4883   0.0000   0.0000  392.619   76.482  ?   ?       ?      ? 
1 1 1   32    8   10 o  277.520   45.547   2.2316   0.6751   1.1868   1.0183   3.0507   0.9017  215.877   74.996  339.163   51.708 -123.2855 91.09448 
1 1 1   32    8   12 o  496.115   41.768   6.7392   1.0006   6.1632   1.6939   7.0478   1.2400  475.605   69.272  516.625   46.686 -41.01965 83.53562 
1 1 1   32    8   14 o  521.700   35.462   7.2256   0.9380   8.8712   1.3638   5.7485   1.2921  579.453   45.780  463.948   54.170 115.5048 70.92370 
1 1 1   32    8   16 o  534.982   44.646   7.4619   1.1121   8.5343   2.1239   7.0568   1.3053  554.810   74.460  515.154   49.285 39.65607 89.29277 
1 1 1   32    8   18 o  197.791   45.695   1.0332   0.5159   1.0700   0.8873   1.0144   0.6340  202.983   70.036  192.600   58.712 10.38310 91.38988 
1 1 1   32    8   20 o  273.053   41.621   2.2546   0.5969   3.2368   0.7920   0.9633   0.9082  349.372   44.095  196.734   70.602 152.6375 83.24112 
1 1 1   32    8   22 o  339.793   55.841   3.8026   0.8654   4.2197   0.9788   2.3089   1.8523  397.322   47.918  282.263  100.880 115.0583 111.6825 
1 1 1   32    8   24 o  276.960   44.946   2.1596   0.6127   2.3367   0.9950   2.0515   0.7777  284.144   68.838  269.775   57.808 14.36914 89.89133 
1 1 1   32    8   26 o  421.243   46.204   4.9993   0.9314   4.9777   1.5508   5.0116   1.1649  412.593   75.904  429.893   52.704 -17.29980 92.40743 
1 1 1   32    8   28 o  191.619   43.000   1.0103   0.4726   1.1071   0.7183   0.9365   0.6276  198.848   62.801  184.390   58.754 14.45728 86.00034 
1 1 1   32    8   30 o  200.489   40.217   1.1760   0.4459   1.4334   0.5793   0.8019   0.6983  225.178   51.198  175.799   62.036 49.37885 80.43391 
1 1 1   32    8   32 o  206.460   56.520   1.2289   0.6175   1.2289   0.6175   0.0000   0.0000  206.460   56.520  ?   ?       ?      ? 
1 1 1   32    8   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    8   36 o  212.796   50.067   1.3490   0.5823   1.3916   0.6538   1.1854   1.2802  216.758   57.660  208.833   81.866 7.924927 100.1334 
1 1 1   32    8   38 o  236.879   46.296   1.6621   0.5460   1.5333   0.6500   1.9709   1.0064  226.633   56.091  247.124   73.668 -20.49101 92.59161 
1 1 1   32    8   40 o  215.386   45.706   1.4129   0.5154   1.3318   0.6151   1.6042   0.9446  209.310   56.040  221.462   72.220 -12.15184 91.41245 
1 1 1   32    9    1 o  639.111   47.220   10.680   1.4567   10.095   1.7586   11.959   2.5998  616.563   55.479  661.658   76.426 -45.09515 94.43946 
1 1 1   32    9    3 f  333.510   52.419   3.0161   0.8108   2.8565   0.9594   3.4151   1.5167  322.447   60.083  344.572   85.914 -22.12430 104.8387 
1 1 1   32    9    5 o  500.043   53.161   7.0481   1.2087   7.2873   1.4590   6.5249   2.1581  524.005   54.158  476.081   91.496 47.92389 106.3227 
1 1 1   32    9    7 o  280.051   78.858   2.2245   1.1837   2.2245   1.1837   0.0000   0.0000  280.051   78.858  ?   ?       ?      ? 
1 1 1   32    9    9 o  856.756   44.669   19.282   1.9418   22.975   3.0617   16.797   2.5115  922.866   64.530  790.646   61.784 132.2199 89.33843 
1 1 1   32    9   11 o  684.463   44.063   12.488   1.5396   13.781   2.3546   11.522   2.0348  714.150   64.129  654.776   60.445 59.37427 88.12574 
1 1 1   32    9   13 o  369.638   42.166   3.3951   0.7504   5.0772   1.3117   2.5768   0.9149  434.681   58.693  304.595   60.556 130.0857 84.33219 
1 1 1   32    9   15 o  498.028   48.845   6.5890   1.2507   0.0000   0.0000   6.5890   1.2507  ?   ?   498.028   48.845      ?      ? 
1 1 1   32    9   17 o  175.070   38.283   0.8248   0.3814   0.7246   0.5447   0.9211   0.5341  166.798   54.867  183.342   53.405 -16.54370 76.56683 
1 1 1   32    9   19 o  166.141   37.760   0.7101   0.3695   0.9245   0.5480   0.5314   0.5004  183.568   54.276  148.714   52.511 34.85306 75.52047 
1 1 1   32    9   21 o  170.275   36.811   0.7494   0.3792   0.3247   0.5387   1.1668   0.5340  135.876   53.149  204.673   50.945 -68.79665 73.62241 
1 1 1   32    9   23 o  349.698   55.704   3.7418   0.8367   3.8957   0.9392   3.1498   1.8421  381.444   47.893  317.952  100.589 63.49243 111.4084 
1 1 1   32    9   25 o  290.150   39.125   2.3483   0.5681   2.7345   0.7973   1.9501   0.8096  318.948   48.621  261.352   61.310 57.59531 78.24916 
1 1 1   32    9   27 o  221.359   37.421   1.3412   0.4258   0.9379   0.5654   1.8698   0.6472  183.675   55.318  259.043   50.410 -75.36734 74.84170 
1 1 1   32    9   29 o  510.830   56.049   7.3746   1.4096   6.0195   1.7794   9.6575   2.3096  447.797   80.238  573.864   78.281 -126.0674 112.0981 
1 1 1   32    9   31 o  447.138   71.663   5.8155   1.6474   5.8155   1.6474   0.0000   0.0000  447.138   71.663  ?   ?       ?      ? 
1 1 1   32    9   33 f  156.748   62.620   0.4656   0.7623   0.4656   0.7623   0.0000   0.0000  156.748   62.620  ?   ?       ?      ? 
1 1 1   32    9   35 o   92.226   39.712   0.0000   0.3410   0.0000   0.3410   0.0000   0.0000   92.226   39.712  ?   ?       ?      ? 
1 1 1   32    9   37 o  210.449   40.913   0.9199   0.4481   0.4065   0.5177   2.4536   0.8947  136.256   52.430  284.642   62.822 -148.3860 81.82619 
1 1 1   32    9   39 o  226.182   45.273   1.6830   0.5377   1.8443   0.6251   1.2243   1.0540  251.319   50.136  201.044   75.398 50.27518 90.54560 
1 1 1   32   10    0 o  225.483  104.508   2.0033   1.3398   0.0000   0.0000   2.0033   1.3398  225.483  104.508  225.483  104.508 -0.000000 0.000000 
1 1 1   32   10    2 o  243.029   44.757   1.8192   0.5872   0.6467   1.1448   2.2378   0.6840  194.353   77.025  291.705   45.608 -97.35179 89.51474 
1 1 1   32   10    4 o  280.352   43.898   2.1800   0.6165   1.9782   0.8580   2.3953   0.8863  266.371   63.539  294.332   60.590 -27.96112 87.79699 
1 1 1   32   10    6 o  844.601   46.116   18.989   1.9506   20.342   3.1773   18.170   2.4710  864.456   71.490  824.745   58.275 39.71051 92.23209 
1 1 1   32   10    8 o  711.557   44.812   13.386   1.6177   15.212   2.5511   12.158   2.0922  749.914   66.169  673.200   60.449 76.71417 89.62342 
1 1 1   32   10   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   10   12 o  203.685   53.657   1.1463   0.5697   0.0000   0.0000   1.1463   0.5697  ?   ?   203.685   53.657      ?      ? 
1 1 1   32   10   14 o  254.026   49.401   1.7820   0.6429   2.0021   1.0884   1.6640   0.7968  264.776   75.983  243.277   63.154 21.49847 98.80173 
1 1 1   32   10   16 o  217.418   41.689   1.3201   0.4775   1.3055   0.6627   1.3357   0.6885  216.242   58.289  218.594   59.617 -2.351547 83.37734 
1 1 1   32   10   18 o  331.962   37.790   3.0117   0.6221   3.5768   0.8887   2.4688   0.8711  366.647   47.146  297.277   59.074 69.37000 75.58098 
1 1 1   32   10   20 o  161.102   37.325   0.6404   0.3667   0.9470   0.5442   0.3855   0.4962  185.272   53.894  136.933   51.654 48.33908 74.65092 
1 1 1   32   10   22 o  368.127   44.774   3.5055   0.7988   5.4765   1.3283   2.3888   0.9999  448.466   57.612  287.787   68.555 160.6785 89.54870 
1 1 1   32   10   24 o  162.171   47.630   0.1812   0.5577   0.0000   0.6325   0.8139   1.1821  125.336   54.025  199.007   78.459 -73.67110 95.26077 
1 1 1   32   10   26 o  185.329   48.316   0.8395   0.5051   0.9110   0.5457   0.4120   1.3342  181.261   54.295  189.397   79.936 -8.136322 96.63149 
1 1 1   32   10   28 f  204.733   49.320   1.0521   0.5028   1.0183   0.5471   1.2357   1.2748  190.138   53.638  219.327   82.781 -29.18951 98.63937 
1 1 1   32   10   30 o  287.872   58.285   2.6472   0.9155   2.9787   1.1518   2.0781   1.5090  315.372   72.545  260.372   91.247 54.99966 116.5710 
1 1 1   32   10   32 o  294.160   75.323   2.6616   1.1441   2.6616   1.1441   0.0000   0.0000  294.160   75.323  ?   ?       ?      ? 
1 1 1   32   10   34 o  148.695   57.969   0.4630   0.6392   0.4630   0.6392   0.0000   0.0000  148.695   57.969  ?   ?       ?      ? 
1 1 1   32   10   36 o  224.687   49.718   1.4566   0.5591   1.4566   0.5591   0.0000   0.0000  224.687   49.718  ?   ?       ?      ? 
1 1 1   32   10   38 o  157.617   38.348   0.6906   0.3299   0.7423   0.3604   0.4231   0.8193  161.139   42.782  154.094   63.654 7.044830 76.69543 
1 1 1   32   11    1 o  625.712   47.172   10.442   1.5079   11.910   2.2900   9.3184   2.0035  663.877   67.093  587.547   66.326 76.33026 94.34314 
1 1 1   32   11    3 o  173.962   55.313   0.7959   0.5565   0.0000   0.0000   0.7959   0.5565  ?   ?   173.962   55.313      ?      ? 
1 1 1   32   11    5 o  314.040   50.576   2.7457   0.7692   2.8878   1.3080   2.6705   0.9510  317.514   80.127  310.566   61.735 6.947906 101.1511 
1 1 1   32   11    7 o  490.938   46.648   6.3585   1.1774   0.0000   0.0000   6.3585   1.1774  ?   ?   490.938   46.648      ?      ? 
1 1 1   32   11    9 o  299.422   61.401   2.4915   0.9135   0.0000   0.0000   2.4915   0.9135  ?   ?   299.422   61.401      ?      ? 
1 1 1   32   11   11 o  141.246   48.722   0.4856   0.4294   0.0000   0.0000   0.4856   0.4294  ?   ?   141.246   48.722      ?      ? 
1 1 1   32   11   13 o  265.765   73.459   2.0149   1.0372   2.0149   1.0372   0.0000   0.0000  265.765   73.459  ?   ?       ?      ? 
1 1 1   32   11   15 o  116.557   31.404   0.2462   0.2463   0.3209   0.4383   0.2117   0.2978  127.801   48.467  105.312   39.947 22.48824 62.80766 
1 1 1   32   11   17 o  306.976   39.238   2.5476   0.6027   3.0464   0.9012   2.1441   0.8106  337.203   51.986  276.749   58.788 60.45404 78.47638 
1 1 1   32   11   19 o  737.926   34.772   14.576   1.3135   16.252   1.8732   12.955   1.8424  781.140   46.643  694.713   51.584 86.42743 69.54489 
1 1 1   32   11   21 o  283.247   51.146   2.6034   0.7329   2.9998   0.8330   1.2454   1.5418  334.763   48.401  231.732   90.117 103.0307 102.2920 
1 1 1   32   11   23 o  345.681   56.355   3.5390   0.8402   3.5856   0.9409   3.3558   1.8662  365.001   50.140  326.361  100.944 38.64014 112.7107 
1 1 1   32   11   25 o  462.002   55.813   5.5801   1.2338   3.7975   1.5040   9.2488   2.1576  354.300   83.868  569.704   73.664 -215.4045 111.6257 
1 1 1   32   11   27 o  211.311   50.602   1.0139   0.5083   0.8923   0.5514   1.7030   1.3124  179.395   54.765  243.228   85.105 -63.83272 101.2034 
1 1 1   32   11   29 o  336.362   52.225   2.7267   0.7117   2.3265   0.7813   4.6790   1.7255  286.687   55.007  386.036   88.792 -99.34937 104.4497 
1 1 1   32   11   31 o  274.688   76.350   2.3199   1.1171   2.3199   1.1171   0.0000   0.0000  274.688   76.350  ?   ?       ?      ? 
1 1 1   32   11   33 o  219.255   48.444   1.4107   0.5413   1.4381   0.6052   1.3013   1.2107  223.103   53.463  215.407   80.802 7.695694 96.88745 
1 1 1   32   11   35 o  226.898   44.187   1.7402   0.5715   2.1031   0.6458   0.4303   1.2270  276.521   45.429  177.275   75.804 99.24611 88.37454 
1 1 1   32   11   37 o  201.094   53.357   1.1947   0.5608   1.1947   0.5608   0.0000   0.0000  201.094   53.357  ?   ?       ?      ? 
1 1 1   32   11   39 o  224.557   45.063   1.4528   0.5022   1.4528   0.5022   0.0000   0.0000  224.557   45.063  ?   ?       ?      ? 
1 1 1   32   12    0 o  160.366   72.510   0.9820   0.6433   0.0000   0.0000   0.9820   0.6433  160.366   72.510  160.366   72.510 -0.000000 0.000000 
1 1 1   32   12    2 o  181.435   39.648   0.7307   0.3909   1.3469   0.7150   0.4679   0.4669  220.596   60.995  142.273   50.670 78.32343 79.29609 
1 1 1   32   12    4 o  262.594   52.002   1.8887   0.6772   0.0000   0.0000   1.8887   0.6772  ?   ?   262.594   52.002      ?      ? 
1 1 1   32   12    6 o  342.533   47.698   3.1004   0.8400   0.0000   0.0000   3.1004   0.8400  ?   ?   342.533   47.698      ?      ? 
1 1 1   32   12    8 o  175.000   41.511   0.7830   0.3957   0.5938   0.8660   0.8329   0.4449  175.313   67.715  174.687   48.037 0.6264648 83.02280 
1 1 1   32   12   10 o  213.440   46.469   1.1224   0.5329   1.6903   0.9530   0.8642   0.6428  245.163   71.318  181.717   59.592 63.44676 92.93818 
1 1 1   32   12   12 o  130.567   34.545   0.3617   0.3085   0.0000   0.5995   0.4920   0.3598  123.084   52.818  138.051   44.538 -14.96695 69.08907 
1 1 1   32   12   14 o  740.773   56.215   15.590   2.0659   16.236   2.6450   14.579   3.3081  769.924   66.821  711.622   90.419 58.30255 112.4309 
1 1 1   32   12   16 o  345.982   55.131   3.9656   0.9149   4.6576   1.0706   2.0917   1.7617  417.668   49.855  274.295   98.346 143.3732 110.2611 
1 1 1   32   12   18 o  183.454   47.050   0.8262   0.5101   0.9196   0.5662   0.4238   1.1751  183.308   55.392  183.600   76.070 -0.2923584 94.10091 
1 1 1   32   12   20 o  292.059   52.596   2.2723   0.7043   2.0532   0.8068   2.9740   1.4438  269.623   59.770  314.495   86.562 -44.87158 105.1920 
1 1 1   32   12   22 o  515.856   49.899   6.9343   1.1247   6.4740   1.2738   8.5616   2.3951  490.421   50.521  541.292   86.065 -50.87042 99.79735 
1 1 1   32   12   24 o  239.708   57.028   1.5792   0.7667   1.5311   0.8929   1.7143   1.4960  230.827   69.519  248.590   90.421 -17.76375 114.0561 
1 1 1   32   12   26 o  465.941   63.695   6.9449   1.3781   7.5924   1.6864   5.6433   2.3911  522.005   62.837  409.878  110.814 112.1274 127.3904 
1 1 1   32   12   28 o  281.683   50.948   2.6640   0.6912   2.9664   0.7650   1.3196   1.6131  332.012   44.816  231.354   91.512 100.6579 101.8964 
1 1 1   32   12   30 o  345.697   47.543   3.2520   0.8450   3.2520   0.8450   0.0000   0.0000  345.697   47.543  ?   ?       ?      ? 
1 1 1   32   12   32 o  301.074   46.804   2.4090   0.5410   2.2867   0.5868   3.1025   1.3971  291.852   39.106  310.295   85.048 -18.44305 93.60762 
1 1 1   32   12   34 o  284.879   47.013   2.2851   0.5237   2.2223   0.5678   2.6431   1.3561  287.175   38.455  282.583   85.802 4.592316 94.02544 
1 1 1   32   12   36 o  276.279   51.951   2.1036   0.7722   1.1271   0.9503   4.0020   1.3250  197.242   72.017  355.315   74.893 -158.0723 103.9011 
1 1 1   32   12   38 o  137.664   49.180   0.4924   0.4402   0.4924   0.4402   0.0000   0.0000  137.664   49.180  ?   ?       ?      ? 
1 1 1   32   13    1 o  422.574   34.918   4.7245   0.7577   4.7726   1.1016   4.6814   1.0437  424.335   50.495  420.813   48.241 3.521118 69.83550 
1 1 1   32   13    3 o  288.809   38.722   2.2618   0.5524   2.2547   0.8681   2.2666   0.7160  284.726   61.128  292.892   47.550 -8.166138 77.44418 
1 1 1   32   13    5 o  597.771   42.280   8.4564   1.1915   12.720   2.3241   6.9361   1.3878  684.972   65.996  510.569   52.868 174.4022 84.56033 
1 1 1   32   13    7 f  245.767   46.190   1.5918   0.5366   1.9104   1.0691   1.4846   0.6204  259.783   75.525  231.751   53.198 28.03154 92.38042 
1 1 1   32   13    9 o  510.860   73.581   7.1948   1.9326   7.1948   1.9326   0.0000   0.0000  510.860   73.581  ?   ?       ?      ? 
1 1 1   32   13   11 o  246.774   76.928   1.7095   1.0814   1.7095   1.0814   0.0000   0.0000  246.774   76.928  ?   ?       ?      ? 
1 1 1   32   13   13 o  364.738   59.090   4.1658   1.1545   5.6648   1.5072   2.0376   1.7959  455.775   64.320  273.702   99.144 182.0739 118.1800 
1 1 1   32   13   15 o  541.409   55.015   8.0502   1.5040   7.2670   1.9215   9.2892   2.4167  510.906   73.151  571.913   82.191 -61.00723 110.0294 
1 1 1   32   13   17 o  184.689   46.273   0.8723   0.5240   1.0120   0.6015   0.4321   1.0678  191.556   56.914  177.822   72.975 13.73328 92.54517 
1 1 1   32   13   19 o  265.095   47.951   2.3416   0.5809   2.5955   0.6292   0.8745   1.5125  313.641   39.021  216.550   87.604 97.09131 95.90115 
1 1 1   32   13   21 o  329.510   50.719   3.1079   0.6315   3.1156   0.6849   3.0639   1.6315  343.445   38.787  315.575   93.730 27.87057 101.4387 
1 1 1   32   13   23 o  346.616   52.839   3.1462   0.6356   3.0359   0.6767   3.9739   1.8534  338.726   38.857  354.505   98.274 -15.77884 105.6771 
1 1 1   32   13   25 o  230.590   50.144   1.5431   0.4980   1.6093   0.5225   0.8851   1.6463  242.165   43.566  219.015   90.330 23.15071 100.2874 
1 1 1   32   13   27 o  284.371   52.700   2.0266   0.6171   1.8193   0.6722   3.1370   1.5558  253.851   53.210  314.891   90.983 -61.04054 105.4004 
1 1 1   32   13   29 o  200.098   55.296   1.1448   0.5878   1.1448   0.5878   0.0000   0.0000  200.098   55.296  ?   ?       ?      ? 
1 1 1   32   13   31 o  391.605   53.485   4.3827   0.7256   4.2903   0.7792   4.9858   1.9907  400.551   37.835  382.660  100.055 17.89145 106.9699 
1 1 1   32   13   33 o  147.896   39.340   0.5211   0.2992   0.5688   0.3126   0.0000   1.0341  143.026   40.611  152.765   67.388 -9.738953 78.67923 
1 1 1   32   13   35 o  294.246   45.404   2.2665   0.5295   2.0883   0.5786   3.1858   1.3140  276.982   40.629  311.511   81.211 -34.52988 90.80731 
1 1 1   32   13   37 o  194.651   49.402   1.1365   0.6302   1.2704   0.8010   0.9190   1.0209  203.187   66.517  186.115   73.061 17.07237 98.80498 
1 1 1   32   14    0 o  200.916   46.891   1.2032   0.4211   1.2032   0.4211   0.0000   0.0000  200.916   46.891  200.916   46.891 0.000000 0.000000 
1 1 1   32   14    2 o  530.472   49.295   7.6573   1.2125   7.6302   1.4370   7.7244   2.2592  535.627   52.182  525.316   83.649 10.31110 98.59024 
1 1 1   32   14    4 o  412.644   49.871   4.4795   0.7765   4.3504   0.8505   5.1257   1.9031  407.075   40.636  418.212   91.089 -11.13705 99.74263 
1 1 1   32   14    6 o  664.222   43.046   10.550   1.3016   9.1879   1.4875   14.999   2.6886  588.546   49.160  739.898   70.677 -151.3526 86.09277 
1 1 1   32   14    8 o  249.066   46.878   1.4868   0.5356   1.2334   0.6078   2.3677   1.1331  210.860   55.360  287.273   75.667 -76.41307 93.75611 
1 1 1   32   14   10 o  305.083   48.234   2.4714   0.7566   2.4714   0.7566   0.0000   0.0000  305.083   48.234  ?   ?       ?      ? 
1 1 1   32   14   12 o  274.929   48.191   2.5378   0.6547   2.9633   0.7313   0.8206   1.4691  335.084   42.450  214.773   86.531 120.3106 96.38253 
1 1 1   32   14   14 o  216.977   47.591   0.9106   0.4511   0.7059   0.4876   2.1263   1.1882  163.097   51.767  270.857   79.874 -107.7594 95.18215 
1 1 1   32   14   16 o  241.973   45.707   1.5506   0.4679   1.5112   0.5108   1.7561   1.1672  235.316   43.834  248.632   80.219 -13.31602 91.41369 
1 1 1   32   14   18 o  217.265   46.512   1.3792   0.5488   1.5506   0.6381   0.8921   1.0758  235.433   53.883  199.096   75.829 36.33743 93.02384 
1 1 1   32   14   20 o  259.190   44.174   1.4953   0.4577   1.2756   0.4975   2.7049   1.1673  214.765   46.410  303.616   75.177 -88.85007 88.34869 
1 1 1   32   14   22 o  197.347   45.389   1.0068   0.4093   1.0212   0.4364   0.9018   1.1801  191.956   44.999  202.738   78.840 -10.78206 90.77844 
1 1 1   32   14   24 o  180.902   43.138   0.7808   0.3614   0.7620   0.3866   0.9111   1.0176  165.927   44.436  195.878   73.954 -29.95065 86.27698 
1 1 1   32   14   26 o  160.114   43.898   0.5545   0.3619   0.6030   0.3774   0.0000   1.2757  148.955   45.270  171.272   75.224 -22.31694 87.79551 
1 1 1   32   14   28 o  143.881   57.406   0.3571   0.6399   0.3571   0.6399   0.0000   0.0000  143.881   57.406  ?   ?       ?      ? 
1 1 1   32   14   30 o  166.366   47.633   0.4182   0.3223   0.3918   0.3305   0.9258   1.4474  124.634   42.761  208.098   85.129 -83.46347 95.26554 
1 1 1   32   14   32 o  191.425   45.066   0.8439   0.3818   0.7651   0.4078   1.4034   1.0871  164.657   46.256  218.193   77.358 -53.53540 90.13201 
1 1 1   32   14   34 o  394.284   47.720   4.3326   0.7062   4.1600   0.7733   5.1989   1.7323  392.463   38.326  396.105   87.406 -3.642395 95.43971 
1 1 1   32   14   36 o  269.754   44.770   1.4807   0.4664   1.1295   0.5011   3.7614   1.2768  196.715   49.565  342.793   74.570 -146.0783 89.53986 
1 1 1   32   14   38 f  159.013   44.231   0.5023   0.3892   0.4348   0.4175   0.9498   1.0756  131.252   47.765  186.773   74.458 -55.52136 88.46178 
1 1 1   32   15    1 o  607.924   58.342   10.377   1.8175   10.934   2.5258   9.7792   2.6172  627.364   78.309  588.484   86.503 38.88049 116.6834 
1 1 1   32   15    3 o  163.425   40.388   0.5480   0.2977   0.5159   0.3160   0.8014   0.8882  139.036   41.244  187.815   69.452 -48.77937 80.77538 
1 1 1   32   15    5 o  199.453   44.843   1.0377   0.4070   1.0696   0.4347   0.8107   1.1608  197.716   43.903  201.190   78.205 -3.473602 89.68510 
1 1 1   32   15    7 o  493.166   43.821   5.9314   0.9867   5.2468   1.1316   8.1016   2.0148  444.272   49.543  542.060   72.296 -97.78738 87.64294 
1 1 1   32   15    9 o  277.720   50.490   2.1121   0.6944   2.1121   0.6944   0.0000   0.0000  277.720   50.490  ?   ?       ?      ? 
1 1 1   32   15   11 o  526.011   45.486   7.3327   1.2301   7.3327   1.2301   0.0000   0.0000  526.011   45.486  ?   ?       ?      ? 
1 1 1   32   15   13 o  455.630   51.675   5.7671   0.9529   5.7072   1.0733   5.9897   2.0701  463.893   45.004  447.366   93.037 16.52664 103.3498 
1 1 1   32   15   15 o  203.169   45.401   0.9654   0.3921   0.9156   0.4181   1.3282   1.1294  182.230   44.916  224.108   78.915 -41.87778 90.80158 
1 1 1   32   15   17 o  258.611   49.092   2.0094   0.6060   2.1606   0.6731   1.3624   1.3922  284.765   45.973  232.457   86.756 52.30826 98.18364 
1 1 1   32   15   19 o  206.833   42.946   1.3140   0.4562   1.4893   0.5009   0.4599   1.1055  233.359   43.346  180.307   74.152 53.05202 85.89179 
1 1 1   32   15   21 o  227.276   47.618   1.3978   0.4694   1.4001   0.5039   1.3826   1.2913  225.413   45.056  229.140   83.905 -3.726852 95.23699 
1 1 1   32   15   23 o  232.352   49.043   1.3022   0.4432   1.2387   0.4678   1.8582   1.3841  211.666   44.402  253.037   87.461 -41.37054 98.08657 
1 1 1   32   15   25 o  187.352   47.350   0.4628   0.3897   0.3034   0.4110   1.8806   1.2258  123.113   46.874  251.592   82.285 -128.4795 94.69922 
1 1 1   32   15   27 o  226.719   51.951   1.4571   0.5926   1.4571   0.5926   0.0000   0.0000  226.719   51.951  ?   ?       ?      ? 
1 1 1   32   15   29 o  296.644   54.368   2.7099   0.6067   2.7463   0.6400   2.3873   1.9054  320.449   38.845  272.839  101.561 47.61029 108.7358 
1 1 1   32   15   31 o  255.592   45.109   1.4481   0.4426   1.2323   0.4751   2.8664   1.2180  209.001   45.506  302.181   77.900 -93.17998 90.21789 
1 1 1   32   15   33 o  217.630   45.621   1.1343   0.4052   1.0190   0.4336   1.9314   1.1399  189.238   45.187  246.022   79.266 -56.78432 91.24103 
1 1 1   32   15   35 o  189.751   40.738   1.1424   0.3996   1.2628   0.4348   0.4881   1.0136  211.776   41.416  167.726   70.165 44.05009 81.47684 
1 1 1   32   15   37 o  231.983   44.637   1.1886   0.4794   0.7620   0.5353   2.9141   1.0767  162.951   54.428  301.014   70.763 -138.0629 89.27380 
1 1 1   32   16    0 o  173.024   93.408   1.1773   1.1568   1.1773   1.1568   0.0000   0.0000  173.024   93.408  173.024   93.408 0.000000 0.000000 
1 1 1   32   16    2 o  148.566   43.484   0.2015   0.5472   0.3819   0.7533   0.0000   0.7962  156.176   62.295  140.957   60.685 15.21877 86.96743 
1 1 1   32   16    4 o  276.148   44.081   1.3390   0.4646   0.9910   0.4972   3.7321   1.3039  189.649   50.208  362.647   72.468 -172.9989 88.16198 
1 1 1   32   16    6 o  233.580   44.675   1.1524   0.4941   0.7679   0.5603   2.4968   1.0476  171.075   55.615  296.084   69.932 -125.0084 89.35048 
1 1 1   32   16    8 o  571.388   44.389   8.2042   1.1523   7.5012   1.3242   10.397   2.3385  531.113   48.495  611.662   74.363 -80.54865 88.77888 
1 1 1   32   16   10 o  649.932   46.190   11.210   1.5434   11.210   1.5434   0.0000   0.0000  649.932   46.190  ?   ?       ?      ? 
1 1 1   32   16   12 o  181.440   46.653   0.7013   0.4165   0.6791   0.4444   0.8617   1.1930  159.287   49.260  203.592   79.243 -44.30519 93.30639 
1 1 1   32   16   14 o  244.133   47.243   1.9052   0.6251   2.2717   0.6992   0.4456   1.3954  292.089   46.563  196.178   82.217 95.91096 94.48676 
1 1 1   32   16   16 o  455.166   42.166   4.4950   0.7783   3.8786   0.8474   7.8177   1.9675  382.335   43.112  527.997   72.479 -145.6620 84.33182 
1 1 1   32   16   18 o  388.063   54.579   4.0422   1.0666   2.2110   1.3548   7.0281   1.7300  273.252   86.244  502.875   66.913 -229.6229 109.1574 
1 1 1   32   16   20 o  239.938   47.973   1.2326   0.4323   1.0951   0.4577   2.3691   1.3161  198.742   45.742  281.134   84.340 -82.39171 95.94592 
1 1 1   32   16   22 o  149.434   40.945   0.4721   0.3890   0.5648   0.4254   0.0000   0.9604  147.119   48.493  151.750   65.987 -4.631027 81.88914 
1 1 1   32   16   24 o  162.293   45.756   0.4654   0.3449   0.4644   0.3572   0.4787   1.3254  134.107   44.447  190.479   79.994 -56.37123 91.51243 
1 1 1   32   16   26 o  318.434   38.317   2.6977   0.6273   2.6977   0.6273   0.0000   0.0000  318.434   38.317  ?   ?       ?      ? 
1 1 1   32   16   28 o  301.597   57.385   2.9195   0.9042   3.1860   1.1240   2.4307   1.5224  327.587   68.919  275.607   91.774 51.97971 114.7706 
1 1 1   32   16   30 o  187.924   47.196   0.6911   0.3530   0.6258   0.3674   1.4784   1.2755  150.193   44.447  225.656   83.273 -75.46260 94.39221 
1 1 1   32   16   32 o  635.785   49.135   11.710   1.1333   11.597   1.2327   12.323   2.8807  657.572   36.461  613.998   91.256 43.57355 98.27082 
1 1 1   32   16   34 o  224.072   43.420   1.6091   0.4491   1.7109   0.4850   0.9967   1.1896  251.562   37.500  196.581   78.325 54.98032 86.83911 
1 1 1   32   16   36 o  536.358   51.491   8.5838   0.9886   8.3918   1.0799   9.5761   2.4557  554.908   37.854  517.807   95.772 37.10107 102.9812 
1 1 1   32   17    1 o  257.187   58.602   1.6462   0.9195   0.7932   1.1964   2.8771   1.4373  201.588   79.106  312.787   86.481 -111.1997 117.2032 
1 1 1   32   17    3 o  357.642   65.119   3.7895   1.2014   3.4482   1.6195   4.2071   1.7916  340.323   90.857  374.960   93.310 -34.63675 130.2374 
1 1 1   32   17    5 o  358.343   45.907   2.7211   0.6405   2.3032   0.6940   5.1199   1.6628  294.834   45.785  421.852   79.584 -127.0176 91.81448 
1 1 1   32   17    7 o  495.906   42.949   5.7076   0.9696   4.7426   1.1040   8.9642   2.0280  421.396   50.956  570.416   69.153 -149.0203 85.89883 
1 1 1   32   17    9 o  550.987   55.657   8.5207   1.5725   8.1394   2.1323   8.9754   2.3282  538.550   77.010  563.424   80.375 -24.87402 111.3134 
1 1 1   32   17   11 o  198.077   52.242   1.0902   0.5397   1.0902   0.5397   0.0000   0.0000  198.077   52.242  ?   ?       ?      ? 
1 1 1   32   17   13 o  305.122   53.243   2.8083   0.7196   2.9405   0.7991   2.2416   1.6547  332.205   46.787  278.039   95.657 54.16568 106.4863 
1 1 1   32   17   15 o  453.307   51.359   5.4831   0.9578   5.2192   1.0764   6.4869   2.0992  442.054   47.361  464.559   91.148 -22.50482 102.7183 
1 1 1   32   17   17 o  136.776   40.750   0.5028   0.3080   0.5028   0.3080   0.0000   0.0000  136.776   40.750  ?   ?       ?      ? 
1 1 1   32   17   19 o  180.890   49.778   0.6384   0.6798   0.2820   0.9824   0.9658   0.9415  165.016   69.059  196.765   71.708 -31.74934 99.55503 
1 1 1   32   17   21 o  288.437   48.834   1.9418   0.5883   1.6229   0.6488   3.4165   1.3951  240.032   53.894  336.842   81.452 -96.80934 97.66737 
1 1 1   32   17   23 o  125.659   43.064   0.3929   0.3352   0.3929   0.3352   0.0000   0.0000  125.659   43.064  ?   ?       ?      ? 
1 1 1   32   17   25 o  399.190   44.625   3.0816   0.6312   2.6437   0.6663   6.9079   1.9696  314.463   41.213  483.917   79.164 -169.4540 89.24912 
1 1 1   32   17   27 o  400.076   53.850   4.9841   0.7715   5.0820   0.8397   4.4535   1.9549  436.799   37.391  363.353  101.001 73.44653 107.6995 
1 1 1   32   17   29 o  389.335   65.094   4.7952   1.2114   4.4714   1.4583   5.5159   2.1760  381.615   76.982  397.055  104.990 -15.44034 130.1886 
1 1 1   32   17   31 o  275.316   48.561   1.6163   0.4790   1.3821   0.5070   3.5603   1.4608  220.965   46.119  329.666   85.474 -108.7007 97.12251 
1 1 1   32   17   33 o  215.092   44.077   1.3894   0.4180   1.4371   0.4439   1.0172   1.2407  230.724   37.422  199.461   79.816 31.26309 88.15379 
1 1 1   32   17   35 o  225.334   46.499   0.8559   0.4064   0.5926   0.4297   3.0860   1.2506  146.475   48.755  304.193   79.192 -157.7176 92.99727 
1 1 1   32   18    0 o  152.261   87.855   0.8241   1.1096   0.8241   1.1096   0.0000   0.0000  152.261   87.855  152.261   87.855 0.000000 0.000000 
1 1 1   32   18    2 o  291.385   62.564   2.5086   1.0280   2.8108   1.3785   2.1299   1.5431  309.133   84.374  273.637   92.403 35.49570 125.1289 
1 1 1   32   18    4 o  289.722   61.922   2.4781   1.0051   2.7167   1.3440   2.1754   1.5140  304.109   83.442  275.336   91.515 28.77274 123.8448 
1 1 1   32   18    6 o  248.245   47.486   1.3784   0.5351   1.0569   0.6000   2.6278   1.1828  195.558   56.503  300.931   76.334 -105.3729 94.97103 
1 1 1   32   18    8 o  296.344   42.134   1.8521   0.5664   1.2617   0.6414   3.9409   1.2066  212.423   57.379  380.265   61.716 -167.8420 84.26888 
1 1 1   32   18   10 o  173.209   64.134   0.6833   0.7579   0.6833   0.7579   0.0000   0.0000  173.209   64.134  ?   ?       ?      ? 
1 1 1   32   18   12 o  496.529   46.924   6.1754   1.0244   5.6327   1.1580   8.1284   2.1969  458.860   49.084  534.198   79.990 -75.33853 93.84900 
1 1 1   32   18   14 o  232.894   46.801   1.6921   0.5626   1.9272   0.6142   0.4662   1.4027  269.195   44.380  196.592   82.413 72.60387 93.60291 
1 1 1   32   18   16 o  198.436   42.388   1.1677   0.4154   1.2852   0.4495   0.4809   1.0867  216.781   41.849  180.092   73.728 36.68886 84.77683 
1 1 1   32   18   18 o  203.196   45.721   0.9541   0.4153   0.8663   0.4490   1.4742   1.0928  176.742   48.120  229.650   77.757 -52.90758 91.44176 
1 1 1   32   18   20 o  237.246   49.087   1.1055   0.6119   0.5005   0.7036   2.9841   1.2399  157.787   61.010  316.706   76.914 -158.9191 98.17355 
1 1 1   32   18   22 o  365.904   38.726   3.5531   0.7285   3.5531   0.7285   0.0000   0.0000  365.904   38.726  ?   ?       ?      ? 
1 1 1   32   18   24 o  212.706   49.234   1.0661   0.4217   1.0225   0.4420   1.5085   1.4079  191.232   45.599  234.179   87.274 -42.94676 98.46777 
1 1 1   32   18   26 o  278.730   47.507   2.5988   0.5551   2.7879   0.6021   1.5261   1.4339  323.949   36.152  233.511   87.868 90.43729 95.01468 
1 1 1   32   18   28 o  202.692   48.343   0.7753   0.4357   0.5930   0.4660   2.0412   1.2282  149.911   50.779  255.472   82.277 -105.5614 96.68553 
1 1 1   32   18   30 o  270.920   49.258   2.2183   0.5289   2.2393   0.5650   2.0690   1.5041  288.665   38.072  253.176   90.862 35.48911 98.51566 
1 1 1   32   18   32 f  237.066   44.720   1.8550   0.4793   1.9825   0.5158   1.0499   1.2962  271.283   36.983  202.849   81.435 68.43341 89.43957 
1 1 1   32   18   34 o  172.137   44.049   0.6655   0.3381   0.6270   0.3546   1.0495   1.1194  148.794   43.567  195.480   76.572 -46.68646 88.09886 
1 1 1   32   18   36 o  383.146   55.884   4.6503   0.8674   4.4936   0.9651   5.3087   1.9780  398.521   47.103  367.771  101.358 30.75012 111.7687 
1 1 1   32   19    1 f  304.407   60.397   2.4992   1.0444   1.2490   1.3629   4.2779   1.6257  227.867   85.681  380.948   85.145 -153.0809 120.7930 
1 1 1   32   19    3 o  193.455   50.806   0.8288   0.6899   1.2078   0.9702   0.4410   0.9813  213.537   73.260  173.374   70.414 40.16260 101.6129 
1 1 1   32   19    5 o  265.082   57.980   1.8623   0.9406   0.7859   1.2770   3.1387   1.3907  204.013   81.194  326.150   82.790 -122.1371 115.9600 
1 1 1   32   19    7 o  420.856   46.822   4.2236   0.8722   3.6683   0.9824   6.2888   1.8947  369.852   51.665  471.861   78.102 -102.0092 93.64418 
1 1 1   32   19    9 o  236.025   43.084   1.1198   0.4682   0.7123   0.5253   2.6966   1.0333  164.688   53.864  307.363   67.257 -142.6753 86.16741 
1 1 1   32   19   11 o  548.231   46.666   8.0147   1.3153   8.0147   1.3153   0.0000   0.0000  548.231   46.666  ?   ?       ?      ? 
1 1 1   32   19   13 o  236.689   49.316   1.5777   0.5469   1.6128   0.6006   1.4070   1.3239  241.130   50.082  232.248   84.970 8.881439 98.63173 
1 1 1   32   19   15 o  527.337   43.596   6.5275   1.0275   5.5270   1.1602   10.168   2.2130  453.468   49.764  601.206   71.597 -147.7379 87.19280 
1 1 1   32   19   17 o  204.917   46.890   0.9976   0.4652   0.8874   0.5142   1.4947   1.0919  179.101   52.469  230.732   77.728 -51.63104 93.77960 
1 1 1   32   19   19 o  215.734   69.004   1.3135   0.8650   1.3135   0.8650   0.0000   0.0000  215.734   69.004  ?   ?       ?      ? 
1 1 1   32   19   21 o  357.114   39.177   3.3869   0.7193   3.3869   0.7193   0.0000   0.0000  357.114   39.177  ?   ?       ?      ? 
1 1 1   32   19   23 o  217.336   49.674   0.7287   0.3723   0.5939   0.3857   2.5652   1.4241  148.109   45.907  286.564   88.106 -138.4542 99.34831 
1 1 1   32   19   25 o  189.455   42.930   1.0259   0.3934   1.0959   0.4197   0.5178   1.1305  198.547   42.401  180.362   74.660 18.18550 85.86021 
1 1 1   32   19   27 o  241.018   45.870   1.4908   0.4538   1.3850   0.4917   2.0983   1.1786  222.600   44.520  259.437   80.215 -36.83748 91.74082 
1 1 1   32   19   29 o  258.447   48.867   1.6116   0.7030   0.6177   0.8552   3.6835   1.2347  169.039   66.705  347.855   71.430 -178.8165 97.73390 
1 1 1   32   19   31 o  187.479   44.887   0.8760   0.3626   0.8564   0.3807   1.0671   1.1891  173.850   42.863  201.108   78.881 -27.25838 89.77437 
1 1 1   32   19   33 o  200.332   44.965   1.1352   0.3943   1.1427   0.4160   1.0692   1.2347  201.018   41.626  199.646   79.716 1.372070 89.92939 
1 1 1   32   19   35 o  176.131   44.957   0.7674   0.3945   0.7215   0.4222   1.0829   1.1067  158.044   47.853  194.219   76.122 -36.17459 89.91325 
1 1 1   32   20    0 o  117.333   76.286   0.0000   1.1059   0.0000   1.1059   0.0000   0.0000  117.333   76.286  117.333   76.286 0.000000 0.000000 
1 1 1   32   20    2 o  177.424   48.015   0.6245   0.6105   0.4214   0.8095   0.8925   0.9297  161.336   64.502  193.513   71.144 -32.17693 96.03079 
1 1 1   32   20    4 o  356.205   64.133   3.8360   1.1881   4.4839   1.6817   3.1904   1.6787  388.500   86.428  323.910   94.776 64.59018 128.2662 
1 1 1   32   20    6 o  315.651   43.466   1.9161   0.5703   1.3968   0.6230   4.6026   1.4172  223.371   54.690  407.932   67.572 -184.5606 86.93129 
1 1 1   32   20    8 o  138.881   49.035   0.4610   0.4364   0.4610   0.4364   0.0000   0.0000  138.881   49.035  ?   ?       ?      ? 
1 1 1   32   20   10 o  575.088   77.129   9.3842   2.2804   9.3842   2.2804   0.0000   0.0000  575.088   77.129  ?   ?       ?      ? 
1 1 1   32   20   12 o  237.871   53.120   1.5825   0.6332   1.5825   0.6332   0.0000   0.0000  237.871   53.120  ?   ?       ?      ? 
1 1 1   32   20   14 o  254.043   54.730   1.9196   0.7271   2.0517   0.8252   1.4609   1.5378  268.557   61.135  239.529   90.796 29.02809 109.4593 
1 1 1   32   20   16 o  323.429   66.923   3.0074   1.0761   3.0074   1.0761   0.0000   0.0000  323.429   66.923  ?   ?       ?      ? 
1 1 1   32   20   18 o  320.620   41.803   2.7367   0.6891   2.7367   0.6891   0.0000   0.0000  320.620   41.803  ?   ?       ?      ? 
1 1 1   32   20   20 o  195.683   42.066   1.2014   0.4269   1.3734   0.4565   0.0000   1.2065  223.880   41.176  167.486   73.368 56.39352 84.13297 
1 1 1   32   20   22 o  168.373   40.335   0.7954   0.3744   0.9174   0.4021   0.0000   1.0264  181.475   43.632  155.270   67.852 26.20473 80.67007 
1 1 1   32   20   24 o  148.169   42.599   0.3325   0.2912   0.3187   0.3013   0.5279   1.1335  115.378   40.746  180.961   74.823 -65.58323 85.19791 
1 1 1   32   20   26 o  221.904   46.516   1.5070   0.5261   1.6193   0.5894   1.0667   1.1673  239.188   49.557  204.621   78.733 34.56731 93.03143 
1 1 1   32   20   28 o  337.848   51.829   3.6094   0.6588   3.6801   0.7146   3.2095   1.6997  370.476   37.519  305.221   96.629 65.25421 103.6574 
1 1 1   32   20   30 o  238.791   50.068   1.7446   0.5772   1.7703   0.6376   1.6277   1.3589  247.658   51.745  229.925   85.731 17.73262 100.1363 
1 1 1   32   20   32 o  198.378   46.595   0.6800   0.3522   0.5394   0.3681   2.2013   1.2107  140.022   45.035  256.734   81.585 -116.7128 93.18916 
1 1 1   32   20   34 o  190.703   49.543   0.5902   0.4080   0.4291   0.4279   2.2061   1.3550  131.631   48.283  249.775   86.526 -118.1445 99.08590 
1 1 1   32   21    1 o  350.731   65.922   3.7803   1.2228   4.3627   1.6864   3.1346   1.7757  381.780   87.756  319.683   98.397 62.09631 131.8449 
1 1 1   32   21    3 f  244.725   81.130   1.6890   1.1902   1.6890   1.1902   0.0000   0.0000  244.725   81.130  ?   ?       ?      ? 
1 1 1   32   21    5 o  135.192   58.317   0.0000   0.7381   0.0000   0.7381   0.0000   0.0000  135.192   58.317  ?   ?       ?      ? 
1 1 1   32   21    7 f  118.273   41.870   0.3270   0.3184   0.3270   0.3184   0.0000   0.0000  118.273   41.870  ?   ?       ?      ? 
1 1 1   32   21    9 o  303.335   64.655   2.6216   0.9775   2.6216   0.9775   0.0000   0.0000  303.335   64.655  ?   ?       ?      ? 
1 1 1   32   21   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   21   13 o  254.161   63.900   1.8533   0.8341   1.8533   0.8341   0.0000   0.0000  254.161   63.900  ?   ?       ?      ? 
1 1 1   32   21   15 o  144.855   50.039   0.5240   0.4530   0.5240   0.4530   0.0000   0.0000  144.855   50.039  ?   ?       ?      ? 
1 1 1   32   21   17 o  147.448   41.379   0.3495   0.2834   0.3356   0.2947   0.5199   1.0340  117.132   40.363  177.764   72.248 -60.63174 82.75772 
1 1 1   32   21   19 o  184.216   46.062   0.8865   0.4857   0.9673   0.5379   0.5302   1.1301  185.745   53.450  182.687   75.033 3.057922 92.12444 
1 1 1   32   21   21 o  249.821   51.694   1.8394   0.5971   1.8822   0.6504   1.6099   1.5058  259.106   50.639  240.537   90.137 18.56879 103.3876 
1 1 1   32   21   23 o  509.292   56.921   7.5516   0.9221   7.4785   0.9842   8.0762   2.6368  530.685   36.073  487.899  107.976 42.78552 113.8417 
1 1 1   32   21   25 o  249.681   49.187   1.9818   0.5051   2.0709   0.5296   1.0865   1.6794  278.609   36.976  220.753   91.159 57.85638 98.37311 
1 1 1   32   21   27 o  210.908   42.426   1.4927   0.4549   1.6849   0.4833   0.0000   1.3468  250.717   37.497  171.099   76.118 79.61874 84.85246 
1 1 1   32   21   29 o  280.510   49.798   2.4639   0.6440   2.5330   0.7251   2.2060   1.4015  303.070   46.532  257.952   88.056 45.11810 99.59500 
1 1 1   32   21   31 o  210.634   43.193   1.4361   0.4456   1.5604   0.4762   0.5594   1.2646  239.758   38.629  181.510   77.269 58.24811 86.38658 
1 1 1   32   21   33 o  200.689   48.527   1.0168   0.4674   0.8989   0.5059   1.7032   1.2206  174.848   52.257  226.530   81.784 -51.68147 97.05349 
1 1 1   32   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   22    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   22    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   22    6 o  307.930   93.919   2.8981   1.6221   0.0000   0.0000   2.8981   1.6221  ?   ?   307.930   93.919      ?      ? 
1 1 1   32   22    8 o  322.962   49.699   2.4603   0.8374   1.1075   1.0161   5.3238   1.4783  207.684   74.665  438.241   65.613 -230.5570 99.39771 
1 1 1   32   22   10 o  450.779   53.347   4.9137   1.1208   2.9237   1.3339   9.6950   2.0675  312.475   81.998  589.084   68.265 -276.6094 106.6947 
1 1 1   32   22   12 o  164.458   49.777   0.7374   0.4569   0.7374   0.4569   0.0000   0.0000  164.458   49.777  ?   ?       ?      ? 
1 1 1   32   22   14 o  233.961   50.091   1.6362   0.5840   1.7601   0.6397   1.0161   1.4314  251.128   51.282  216.794   86.061 34.33461 100.1818 
1 1 1   32   22   16 o  143.133   42.055   0.2114   0.3522   0.1690   0.3753   0.5235   1.0183  109.316   43.844  176.949   71.778 -67.63246 84.10945 
1 1 1   32   22   18 o  398.658   50.753   4.2154   0.8422   3.9139   0.9453   5.3771   1.8553  380.512   48.319  416.803   89.269 -36.29089 101.5065 
1 1 1   32   22   20 o  180.600   45.361   0.8495   0.4719   0.9205   0.5242   0.5459   1.0836  181.110   52.954  180.089   73.663 1.021423 90.72152 
1 1 1   32   22   22 o  427.021   51.384   4.4169   0.8661   3.8737   0.9474   7.1789   2.1363  376.876   48.897  477.167   90.391 -100.2913 102.7687 
1 1 1   32   22   24 o  169.447   42.839   0.6712   0.3103   0.6801   0.3218   0.5538   1.1709  156.307   39.910  182.587   75.816 -26.28081 85.67896 
1 1 1   32   22   26 o  217.975   46.303   1.2079   0.4141   1.1452   0.4409   1.6776   1.2066  201.827   43.748  234.124   81.621 -32.29745 92.60590 
1 1 1   32   22   28 o  335.031   44.379   2.3544   0.5561   1.9468   0.5960   5.0961   1.5460  266.916   43.434  403.147   77.404 -136.2314 88.75727 
1 1 1   32   22   30 o  232.061   49.447   1.6116   0.5507   1.5909   0.6084   1.7056   1.2957  233.495   52.016  230.627   84.109 2.868317 98.89322 
1 1 1   32   22   32 o  224.695   51.120   1.0263   0.4810   0.7779   0.5122   2.8842   1.4008  164.350   53.152  285.040   87.338 -120.6900 102.2404 
1 1 1   32   23    1 o  508.400   65.784   7.8874   1.6515   9.5855   2.3015   6.0850   2.3711  580.219   77.154  436.580  106.570 143.6387 131.5672 
1 1 1   32   23    3 o  199.232   52.849   0.8092   0.7207   0.4421   0.9045   1.4473   1.1925  167.721   67.783  230.743   81.102 -63.02156 105.6980 
1 1 1   32   23    5 o  254.135   60.689   1.8577   0.9421   1.7288   1.3886   1.9675   1.2824  248.593   87.504  259.677   84.118 -11.08450 121.3788 
1 1 1   32   23    7 o  214.130   53.866   1.0789   0.6241   0.9837   0.6931   1.4865   1.4343  190.311   61.857  237.949   88.205 -47.63699 107.7328 
1 1 1   32   23    9 o  161.348   44.524   0.4919   0.3936   0.4913   0.4202   0.4962   1.1243  140.298   48.207  182.397   74.870 -42.09944 89.04714 
1 1 1   32   23   11 o  166.636   47.956   0.4184   0.6083   0.3821   0.7344   0.4979   1.0857  153.166   61.366  180.107   73.710 -26.94080 95.91148 
1 1 1   32   23   13 o  217.958   47.226   1.4579   0.5718   1.7026   0.6415   0.5113   1.2617  246.466   52.246  189.449   78.686 57.01669 94.45177 
1 1 1   32   23   15 o  289.590   51.230   2.1373   0.6372   1.8957   0.7086   3.1593   1.4576  259.126   54.892  320.053   86.514 -60.92645 102.4590 
1 1 1   32   23   17 o  346.297   50.269   2.8418   0.7052   2.4158   0.7755   4.8769   1.6951  293.571   53.344  399.024   85.219 -105.4526 100.5385 
1 1 1   32   23   19 o  315.243   44.704   1.8184   0.6311   0.9666   0.6995   5.5441   1.4630  187.407   62.202  443.079   64.224 -255.6723 89.40816 
1 1 1   32   23   21 o  316.986   52.932   3.6546   0.6985   3.9649   0.7515   1.6854   1.8931  385.675   37.901  248.297   98.846 137.3774 105.8631 
1 1 1   32   23   23 o  679.028   48.813   12.143   1.1824   11.649   1.2703   15.343   3.2342  660.429   37.412  697.626   90.174 -37.19635 97.62632 
1 1 1   32   23   25 o  191.939   42.545   1.1559   0.4046   1.2783   0.4254   0.0000   1.3073  214.832   39.991  169.045   75.108 45.78651 85.09089 
1 1 1   32   23   27 o  325.875   46.207   2.6708   0.5733   2.4312   0.6218   4.0299   1.4811  299.502   40.380  352.247   83.125 -52.74417 92.41401 
1 1 1   32   23   29 o  205.209   46.150   1.0472   0.4422   0.9040   0.4852   1.7509   1.0754  176.626   50.743  233.792   77.101 -57.16539 92.30048 
1 1 1   32   23   31 o  113.109   41.523   0.2998   0.3165   0.2998   0.3165   0.0000   0.0000  113.109   41.523  ?   ?       ?      ? 
1 1 1   32   24    0 o  215.781  100.563   1.8893   1.2413   1.8893   1.2413   0.0000   0.0000  215.781  100.563  215.781  100.563 0.000000 0.000000 
1 1 1   32   24    2 o  609.561   64.177   11.176   1.9367   12.469   2.6759   9.7549   2.8066  658.932   78.986  560.190  101.173 98.74176 128.3540 
1 1 1   32   24    4 o  262.630   57.128   1.9980   0.9626   3.1306   1.2753   0.4981   1.4676  325.360   77.370  199.901   84.074 125.4594 114.2566 
1 1 1   32   24    6 o  345.775   63.330   3.7468   1.1778   4.8112   1.6130   2.5315   1.7237  403.051   80.658  288.498   97.658 114.5535 126.6598 
1 1 1   32   24    8 o  526.372   51.508   6.5476   1.2375   5.1792   1.4086   11.177   2.5907  432.188   63.392  620.557   81.201 -188.3690 103.0156 
1 1 1   32   24   10 o  338.279   46.091   1.9045   0.6738   0.9773   0.7371   6.6149   1.6614  190.431   63.866  486.127   66.474 -295.6960 92.18281 
1 1 1   32   24   12 o  232.175   78.574   1.5328   1.1158   1.5328   1.1158   0.0000   0.0000  232.175   78.574  ?   ?       ?      ? 
1 1 1   32   24   14 o  290.877   52.313   2.1989   0.6679   1.9502   0.7480   3.1772   1.4837  261.879   57.164  319.876   87.630 -57.99713 104.6261 
1 1 1   32   24   16 o  275.243   48.678   1.7722   0.5824   1.4107   0.6488   3.2715   1.3212  222.124   56.640  328.363   79.184 -106.2398 97.35549 
1 1 1   32   24   18 o  162.518   40.503   0.6960   0.3397   0.7726   0.3580   0.0000   1.0787  166.693   41.834  158.343   69.368 8.349884 81.00626 
1 1 1   32   24   20 o  147.190   39.826   0.4920   0.3596   0.5765   0.3892   0.0000   0.9388  146.055   46.242  148.324   64.854 -2.269089 79.65139 
1 1 1   32   24   22 o  169.749   45.437   0.6449   0.3976   0.6529   0.4207   0.5780   1.2174  154.051   47.972  185.447   77.179 -31.39626 90.87337 
1 1 1   32   24   24 o  340.334   54.305   3.5828   0.6669   3.5935   0.7134   3.5088   1.8779  365.943   37.920  314.725  101.776 51.21802 108.6108 
1 1 1   32   24   26 o  335.747   53.624   3.1249   0.6274   2.9992   0.6665   4.1030   1.8587  333.254   38.900  338.240   99.944 -4.985687 107.2476 
1 1 1   32   24   28 o  206.705   46.793   0.7952   0.4232   0.5556   0.4543   2.3713   1.1651  144.655   50.100  268.754   79.047 -124.0998 93.58659 
1 1 1   32   24   30 o  199.261   62.477   1.2105   0.7122   1.2105   0.7122   0.0000   0.0000  199.261   62.477  ?   ?       ?      ? 
1 1 1   32   24   32 o  189.368   41.483   1.2152   0.4204   1.3664   0.4458   0.0000   1.2640  219.300   41.051  159.437   72.097 59.86319 82.96504 
1 1 1   32   25    1 o  590.664   65.817   10.653   1.8939   8.1087   2.6795   13.194   2.6774  502.799  106.944  678.530   76.749 -175.7315 131.6337 
1 1 1   32   25    3 o  391.548   68.201   4.8127   1.3655   5.0855   1.9196   4.5334   1.9427  404.818   94.032  378.278   98.810 26.53952 136.4011 
1 1 1   32   25    5 o  203.355   53.649   0.8947   0.7580   0.4521   0.9838   1.5414   1.1892  172.247   70.292  234.463   81.069 -62.21584 107.2988 
1 1 1   32   25    7 o  305.375   63.262   2.7578   1.0496   2.1777   1.3525   3.6361   1.6643  269.492   86.291  341.258   92.532 -71.76578 126.5238 
1 1 1   32   25    9 o  201.399   50.547   0.9992   0.5360   0.9914   0.5839   1.0416   1.3520  188.426   56.097  214.372   84.102 -25.94545 101.0938 
1 1 1   32   25   11 o  200.484   50.237   1.0192   0.7137   1.6044   0.8955   0.0000   1.1818  234.872   69.363  166.095   72.690 68.77689 100.4737 
1 1 1   32   25   13 o  260.572   52.986   2.0759   0.6635   2.1797   0.7322   1.5997   1.5683  278.700   53.040  242.445   91.742 36.25504 105.9715 
1 1 1   32   25   15 o  264.333   51.529   1.9901   0.6304   1.9373   0.7077   2.1928   1.3866  261.471   54.416  267.196   87.520 -5.725250 103.0577 
1 1 1   32   25   17 o  177.764   45.195   0.7987   0.4439   0.8425   0.4836   0.5641   1.1189  173.505   50.897  182.023   74.699 -8.518784 90.39088 
1 1 1   32   25   19 o  209.561   47.659   1.1687   0.4352   1.1700   0.4598   1.1574   1.3467  204.327   44.992  214.796   84.031 -10.46890 95.31737 
1 1 1   32   25   21 o  150.202   39.587   0.5469   0.3201   0.6078   0.3375   0.0000   1.0111  148.007   42.259  152.396   66.952 -4.388794 79.17312 
1 1 1   32   25   23 o  280.574   51.956   2.0335   0.5392   1.9201   0.5708   2.9731   1.6430  266.261   41.697  294.887   95.180 -28.62585 103.9128 
1 1 1   32   25   25 o  247.768   49.633   1.2990   0.4472   1.1152   0.4709   2.9851   1.4263  197.457   47.056  298.078   87.404 -100.6206 99.26554 
1 1 1   32   25   27 o  149.740   43.654   0.3569   0.3364   0.3352   0.3509   0.6032   1.1810  119.396   43.736  180.085   75.563 -60.68855 87.30732 
1 1 1   32   25   29 o  228.823   50.900   1.5353   0.5833   1.5353   0.5833   0.0000   0.0000  228.823   50.900  ?   ?       ?      ? 
1 1 1   32   25   31 o  224.677   49.017   1.2987   0.5227   1.0219   0.5820   2.4532   1.1885  183.963   56.284  265.391   80.267 -81.42819 98.03436 
1 1 1   32   26    0 o  188.599  102.225   1.4791   1.3906   0.0000   0.0000   1.4791   1.3906  188.599  102.225  188.599  102.225 -0.000000 0.000000 
1 1 1   32   26    2 o  207.677   55.797   0.9479   0.8351   0.4825   1.1214   1.5274   1.2514  180.960   74.584  234.394   83.009 -53.43379 111.5945 
1 1 1   32   26    4 o  404.466   69.154   5.1706   1.4236   4.6744   1.9645   5.7193   2.0659  382.435   99.104  426.495   96.475 -44.05991 138.3076 
1 1 1   32   26    6 o  230.908   58.073   1.4494   0.8418   1.3720   1.0504   1.5884   1.4074  221.871   76.220  239.945   87.637 -18.07314 116.1451 
1 1 1   32   26    8 o  288.783   57.051   2.2295   0.7673   1.9559   0.8691   3.1963   1.6339  259.465   65.224  318.102   93.623 -58.63739 114.1028 
1 1 1   32   26   10 o  190.085   50.544   0.7590   0.4914   0.7163   0.5242   1.0678   1.4098  163.752   53.822  216.417   85.569 -52.66472 101.0886 
1 1 1   32   26   12 o  360.026   48.208   2.8781   0.7691   2.0805   0.8648   5.8972   1.6824  267.478   63.782  452.573   72.305 -185.0956 96.41676 
1 1 1   32   26   14 o  334.823   45.841   2.1119   0.6694   1.2365   0.7398   6.0660   1.5722  207.606   63.446  462.040   66.184 -254.4340 91.68228 
1 1 1   32   26   16 o  150.355   43.311   0.3276   0.3940   0.2877   0.4256   0.5673   1.0423  122.641   47.443  178.068   72.473 -55.42686 86.62114 
1 1 1   32   26   18 o  231.478   45.597   1.8086   0.6171   2.2294   0.6851   0.0000   1.4203  286.230   46.555  176.727   78.415 109.5026 91.19385 
1 1 1   32   26   20 o  183.016   46.459   0.8806   0.4701   0.9314   0.5104   0.5962   1.2072  180.803   52.078  185.228   76.953 -4.425125 92.91802 
1 1 1   32   26   22 o  335.538   51.240   3.0069   0.7129   2.7269   0.7902   4.2310   1.6523  314.176   48.922  356.900   90.049 -42.72433 102.4799 
1 1 1   32   26   24 o  226.504   50.877   1.3085   0.4352   1.2663   0.4523   1.8353   1.5976  212.126   42.945  240.882   92.248 -28.75648 101.7549 
1 1 1   32   26   26 o  167.749   47.054   0.8074   0.4223   0.8074   0.4223   0.0000   0.0000  167.749   47.054  ?   ?       ?      ? 
1 1 1   32   26   28 o  161.907   44.080   0.7524   0.3768   0.7524   0.3768   0.0000   0.0000  161.907   44.080  ?   ?       ?      ? 
1 1 1   32   26   30 o  192.055   41.239   1.2712   0.4319   1.4481   0.4610   0.0000   1.2357  225.882   41.214  158.227   71.442 67.65527 82.47710 
1 1 1   32   27    1 o  247.445   51.478   1.7072   0.8469   0.0000   1.2742   3.0580   1.1335  171.670   75.295  323.219   70.218 -151.5491 102.9565 
1 1 1   32   27    3 o  272.228   63.090   2.2499   1.0182   2.4143   1.4794   2.1019   1.4036  280.151   90.305  264.306   88.127 15.84482 126.1795 
1 1 1   32   27    5 o  203.766   53.858   0.8953   0.7523   0.4724   0.9495   1.6085   1.2330  170.349   69.234  237.182   82.518 -66.83311 107.7153 
1 1 1   32   27    7 o  280.943   59.597   1.9104   1.0311   0.4553   1.3026   4.3520   1.6873  188.218   79.187  373.669   89.087 -185.4507 119.1936 
1 1 1   32   27    9 o  181.810   47.239   0.8072   0.4784   0.8524   0.5182   0.5462   1.2451  175.179   53.007  188.441   78.208 -13.26186 94.47832 
1 1 1   32   27   11 o  451.358   87.437   6.3012   1.9557   6.3012   1.9557   0.0000   0.0000  451.358   87.437  ?   ?       ?      ? 
1 1 1   32   27   13 o  372.325   55.327   3.7889   0.9038   3.4329   1.0280   5.0005   1.8965  351.584   56.874  393.065   94.919 -41.48077 110.6539 
1 1 1   32   27   15 o  386.171   52.770   3.8739   0.8777   3.3764   0.9898   5.7038   1.8983  348.795   55.198  423.546   89.955 -74.75079 105.5399 
1 1 1   32   27   17 o  375.979   52.129   3.2550   0.8010   2.5831   0.8811   6.4533   1.9225  298.628   59.480  453.329   85.626 -154.7011 104.2578 
1 1 1   32   27   19 o  186.558   47.645   0.7995   0.4534   0.7308   0.4904   1.2043   1.1907  162.490   51.953  210.626   79.881 -48.13577 95.28915 
1 1 1   32   27   21 o  239.429   45.258   1.8140   0.4819   1.9113   0.5203   1.2272   1.2778  266.640   37.956  212.218   82.174 54.42224 90.51640 
1 1 1   32   27   23 o  253.814   58.536   1.7254   0.7640   1.3315   0.8659   3.1089   1.6228  210.147   69.178  297.482   94.446 -87.33559 117.0714 
1 1 1   32   27   25 o  128.631   43.929   0.4331   0.3488   0.4331   0.3488   0.0000   0.0000  128.631   43.929  ?   ?       ?      ? 
1 1 1   32   27   27 o  205.090   44.661   1.3511   0.4392   1.4380   0.4650   0.6317   1.3381  225.661   41.609  184.520   79.039 41.14163 89.32256 
1 1 1   32   27   29 f  202.680   46.299   1.3505   0.5096   1.4725   0.5516   0.6391   1.3320  223.578   49.308  181.783   78.377 41.79483 92.59731 
1 1 1   32   28    0 o   93.360   60.624   0.0000   0.6955   0.0000   0.6955   0.0000   0.0000   93.360   60.624   93.360   60.624 0.000000 0.000000 
1 1 1   32   28    2 o  150.255   43.803   0.2504   0.5540   0.0000   0.7648   0.5267   0.8035  136.102   59.034  164.409   64.729 -28.30766 87.60675 
1 1 1   32   28    4 o  143.016   44.316   0.0000   0.5631   0.0000   0.6601   0.0000   1.0794  127.098   54.986  158.933   69.515 -31.83439 88.63256 
1 1 1   32   28    6 o  171.879   70.219   0.4776   0.9831   0.4776   0.9831   0.0000   0.0000  171.879   70.219  ?   ?       ?      ? 
1 1 1   32   28    8 o  388.440   61.667   4.2317   1.2315   4.2317   1.2315   0.0000   0.0000  388.440   61.667  ?   ?       ?      ? 
1 1 1   32   28   10 o  210.658   49.916   1.3131   0.6230   1.5252   0.7052   0.5599   1.3289  229.555   59.327  191.761   80.292 37.79428 99.83280 
1 1 1   32   28   12 o  416.554   53.268   3.8323   0.9599   2.7391   1.0680   8.4268   2.1896  302.897   69.988  530.211   80.323 -227.3138 106.5368 
1 1 1   32   28   14 o  211.632   51.655   1.0850   0.5592   0.9467   0.6169   1.7220   1.3239  183.387   58.232  239.877   85.333 -56.49004 103.3091 
1 1 1   32   28   16 o  364.755   58.230   4.1419   0.8928   4.1451   0.9939   4.1283   2.0313  388.078   49.815  341.433  105.268 46.64447 116.4594 
1 1 1   32   28   18 o  267.262   80.104   2.2671   1.1876   2.2671   1.1876   0.0000   0.0000  267.262   80.104  ?   ?       ?      ? 
1 1 1   32   28   20 o  179.928   46.414   0.8642   0.5093   0.9302   0.5744   0.6215   1.1016  180.063   56.053  179.793   73.992 0.2703094 92.82704 
1 1 1   32   28   22 o  203.935   48.362   1.1972   0.4994   1.1972   0.4994   0.0000   0.0000  203.935   48.362  ?   ?       ?      ? 
1 1 1   32   28   24 o  116.730   46.609   0.2351   0.4221   0.2351   0.4221   0.0000   0.0000  116.730   46.609  ?   ?       ?      ? 
1 1 1   32   28   26 o  225.798   50.525   0.8823   0.4724   0.5850   0.5013   3.2386   1.4113  147.988   52.524  303.607   86.326 -155.6184 101.0494 
1 1 1   32   29    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   29    3 f  161.273   63.667   0.5038   0.7794   0.5038   0.7794   0.0000   0.0000  161.273   63.667  ?   ?       ?      ? 
1 1 1   32   29    5 o  408.366   70.063   5.5197   1.4571   5.9157   1.9607   5.0312   2.1776  432.812   91.000  383.919  106.558 48.89322 140.1266 
1 1 1   32   29    7 o  174.872   49.424   0.5475   0.6973   0.9504   0.9187   0.0000   1.0711  192.202   70.714  157.542   69.067 34.65981 98.84712 
1 1 1   32   29    9 o  229.439   54.820   1.4158   0.6441   1.3512   0.7099   1.7168   1.5324  215.621   61.195  243.258   90.974 -27.63640 109.6410 
1 1 1   32   29   11 o  164.668   46.822   0.4937   0.5978   0.4391   0.7745   0.5741   0.9402  156.683   62.934  172.653   69.343 -15.96999 93.64346 
1 1 1   32   29   13 o  152.972   42.029   0.5221   0.4162   0.6249   0.4553   0.0000   1.0260  152.404   50.164  153.540   67.448 -1.135544 84.05715 
1 1 1   32   29   15 o  227.771   47.611   0.9474   0.5268   0.4835   0.5842   2.9653   1.2184  147.189   55.922  308.352   77.070 -161.1633 95.22142 
1 1 1   32   29   17 f  195.580   45.063   1.1996   0.5254   1.4445   0.5766   0.0000   1.2761  224.171   51.155  166.989   74.200 57.18193 90.12502 
1 1 1   32   29   19 o  155.846   47.851   0.6803   0.4202   0.6803   0.4202   0.0000   0.0000  155.846   47.851  ?   ?       ?      ? 
1 1 1   32   29   21 o  222.135   43.255   1.3912   0.4762   1.3912   0.4762   0.0000   0.0000  222.135   43.255  ?   ?       ?      ? 
1 1 1   32   29   23 o  190.358   50.159   1.0191   0.7081   1.4617   0.8481   0.0000   1.2868  216.779   68.212  163.937   73.558 52.84148 100.3181 
1 1 1   32   29   25 o  165.734   41.448   0.7933   0.3777   0.8861   0.3991   0.0000   1.1669  175.244   44.283  156.223   70.076 19.02023 82.89576 
1 1 1   32   30    0 o  132.379   80.347   0.5359   1.0162   0.0000   0.0000   0.5359   1.0162  132.379   80.347  132.379   80.347 -0.000000 0.000000 
1 1 1   32   30    2 o  298.968   67.884   2.9301   1.1850   3.1174   1.6760   2.7429   1.6757  307.896   95.732  290.040   96.271 17.85617 135.7675 
1 1 1   32   30    4 o  380.598   68.104   4.8544   1.3522   5.5979   1.8272   3.9540   2.0106  422.389   87.033  338.806  104.775 83.58249 136.2077 
1 1 1   32   30    6 f  388.953   69.938   5.0256   1.3864   4.9161   1.8029   5.1840   2.1688  390.651   91.392  387.254  105.890 3.397308 139.8756 
1 1 1   32   30    8 o  343.345   67.665   4.0006   1.2405   4.3044   1.5750   3.5041   2.0133  369.517   84.713  317.173  105.535 52.34357 135.3294 
1 1 1   32   30   10 o  144.683   52.520   0.5072   0.5044   0.5072   0.5044   0.0000   0.0000  144.683   52.520  ?   ?       ?      ? 
1 1 1   32   30   12 o  277.139   63.306   2.2741   0.8822   2.2741   0.8822   0.0000   0.0000  277.139   63.306  ?   ?       ?      ? 
1 1 1   32   30   14 o  151.762   44.264   0.4019   0.4758   0.4857   0.5231   0.0000   1.1451  143.594   53.262  159.931   70.713 -16.33736 88.52789 
1 1 1   32   30   16 o  251.641   57.602   1.9076   0.8051   1.6586   0.9722   2.4511   1.4364  231.995   73.042  271.287   89.088 -39.29239 115.2030 
1 1 1   32   30   18 o  175.788   60.472   0.8642   0.6613   0.8642   0.6613   0.0000   0.0000  175.788   60.472  ?   ?       ?      ? 
1 1 1   32   30   20 o  164.071   40.986   0.7617   0.3447   0.7617   0.3447   0.0000   0.0000  164.071   40.986  ?   ?       ?      ? 
1 1 1   32   30   22 o  246.741   49.900   1.5244   0.4699   1.3900   0.4975   2.6353   1.4304  220.348   45.423  273.135   88.865 -52.78629 99.80035 
1 1 1   32   30   24 o  287.074   51.473   2.9555   0.6373   3.1003   0.6841   2.0044   1.7536  336.042   39.597  238.106   95.025 97.93607 102.9454 
1 1 1   32   31    1 o  276.513   62.989   2.4389   1.0163   2.7068   1.5020   2.2126   1.3801  288.514   90.779  264.513   87.349 24.00201 125.9788 
1 1 1   32   31    3 o  358.996   69.138   4.4446   1.3463   5.2514   1.8014   3.4237   2.0263  405.089   88.932  312.903  105.883 92.18591 138.2751 
1 1 1   32   31    5 o  281.420   89.794   2.5698   1.4655   2.5698   1.4655   0.0000   0.0000  281.420   89.794  ?   ?       ?      ? 
1 1 1   32   31    7 o  135.399   59.048   0.0000   0.7738   0.0000   0.7738   0.0000   0.0000  135.399   59.048  ?   ?       ?      ? 
1 1 1   32   31    9 o  229.787   76.911   1.5970   1.0690   1.5970   1.0690   0.0000   0.0000  229.787   76.911  ?   ?       ?      ? 
1 1 1   32   31   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   31   13 o  342.172   66.214   3.6101   1.2119   2.2739   1.5086   6.0412   2.0349  262.288   91.273  422.057   95.949 -159.7698 132.4274 
1 1 1   32   31   15 o  259.600   76.402   2.1425   1.0881   2.1425   1.0881   0.0000   0.0000  259.600   76.402  ?   ?       ?      ? 
1 1 1   32   31   17 o  210.654   59.833   1.3270   0.6784   1.3270   0.6784   0.0000   0.0000  210.654   59.833  ?   ?       ?      ? 
1 1 1   32   31   19 o  296.868   43.673   1.4396   0.5017   0.9416   0.5339   5.2011   1.4672  179.576   53.681  414.160   68.904 -234.5842 87.34656 
1 1 1   32   31   21 o  172.713   43.639   0.8293   0.3647   0.8882   0.3775   0.0000   1.4162  176.340   42.198  169.085   76.400 7.255295 87.27898 
1 1 1   32   31   23 o  355.084   66.269   4.3623   1.1949   3.4269   1.4820   6.1005   2.0202  307.388   88.794  402.780   98.398 -95.39221 132.5387 
1 1 1   32   32    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   32    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   32    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   32    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   32    8 o  187.290   78.428   0.6107   1.2681   0.0000   0.0000   0.6107   1.2681  ?   ?   187.290   78.428      ?      ? 
1 1 1   32   32   10 o  269.644   95.180   2.4579   1.6440   0.0000   0.0000   2.4579   1.6440  ?   ?   269.644   95.180      ?      ? 
1 1 1   32   32   12 o  229.126   56.191   1.5018   0.7056   1.4103   0.7926   1.8511   1.5490  216.328   65.577  241.924   91.266 -25.59538 112.3820 
1 1 1   32   32   14 o  218.615   54.357   1.5052   0.7339   1.7146   0.8161   0.6201   1.6781  237.051   65.009  200.179   87.136 36.87122 108.7149 
1 1 1   32   32   16 o  438.409   55.930   5.1899   1.0621   4.3440   1.1990   8.2737   2.2891  386.016   60.414  490.801   94.143 -104.7858 111.8605 
1 1 1   32   32   18 o  245.192   55.030   1.9184   0.7059   1.9070   0.7951   1.9610   1.5341  249.707   62.171  240.677   90.819 9.029510 110.0608 
1 1 1   32   32   20 o  189.087   45.229   0.8405   0.3241   0.8047   0.3354   1.3418   1.2564  168.417   39.434  209.757   81.410 -41.33952 90.45773 
1 1 1   32   32   22 o  180.053   43.154   1.0076   0.4083   1.1072   0.4280   0.0000   1.3613  195.914   43.610  164.192   74.479 31.72247 86.30722 
1 1 1   32   33    1 o  188.670   51.805   0.8563   0.7282   1.1280   1.0218   0.5757   1.0381  201.780   74.517  175.560   71.989 26.21996 103.6103 
1 1 1   32   33    3 o  225.358   58.917   1.4243   0.9568   2.1878   1.3238   0.5893   1.3844  259.806   85.535  190.910   81.047 68.89613 117.8343 
1 1 1   32   33    5 o  276.729   63.826   2.5740   1.0414   2.6770   1.3543   2.4251   1.6290  285.203   85.555  268.255   94.739 16.94785 127.6524 
1 1 1   32   33    7 o  193.621   55.336   0.8561   0.8549   1.0319   1.1272   0.6180   1.3118  198.914   77.137  188.328   79.362 10.58618 110.6720 
1 1 1   32   33    9 f  199.470   50.321   0.4935   0.5518   0.0788   0.6059   2.5066   1.3350  124.154   53.184  274.786   85.442 -150.6314 100.6426 
1 1 1   32   33   11 o  238.502   54.187   1.8632   0.7284   2.0322   0.8242   1.2604   1.5565  259.603   62.504  217.401   88.532 42.20164 108.3733 
1 1 1   32   33   13 o  265.032   56.073   1.9882   0.7384   1.6033   0.8507   3.1646   1.4871  227.651   67.697  302.414   89.409 -74.76260 112.1466 
1 1 1   32   33   15 o  441.379   56.697   6.2036   1.2309   8.7365   1.8420   4.1598   1.6546  539.149   66.453  343.608   91.882 195.5408 113.3943 
1 1 1   32   33   17 o  180.546   45.108   0.4649   0.4552   0.1158   0.5052   1.9711   1.0493  116.113   49.107  244.978   75.680 -128.8652 90.21659 
1 1 1   32   33   19 o  200.022   48.035   1.0789   0.4311   1.0489   0.4544   1.3495   1.3641  189.639   46.874  210.406   83.860 -20.76720 96.07095 
1 1 1   32   34    0 o  532.414  109.816   9.2973   2.6542   0.0000   0.0000   9.2973   2.6542  532.414  109.816  532.414  109.816 -0.000000 0.000000 
1 1 1   32   34    2 o  326.442   68.694   3.7817   1.2777   2.8192   1.8033   4.7521   1.8105  281.555   99.652  371.329   94.578 -89.77429 137.3880 
1 1 1   32   34    4 o  211.083   52.694   1.1462   0.8110   2.2085   1.1258   0.0000   1.1694  262.293   77.851  159.874   71.035 102.4192 105.3886 
1 1 1   32   34    6 o  276.170   65.413   2.4467   1.1046   1.5999   1.4192   3.7483   1.7594  228.766   87.102  323.575   97.616 -94.80908 130.8268 
1 1 1   32   34    8 o  239.587   57.291   1.8902   0.9285   2.5942   1.1602   0.6362   1.5484  283.388   77.431  195.785   84.459 87.60359 114.5816 
1 1 1   32   34   10 o  430.832   73.329   6.7630   1.5863   6.5494   2.0628   7.0722   2.4817  433.974   95.080  427.690  111.661 6.284424 146.6574 
1 1 1   32   34   12 o  259.370   53.090   2.4760   0.8364   3.0584   0.9604   0.6464   1.7022  319.737   60.641  199.002   87.161 120.7347 106.1805 
1 1 1   32   34   14 o  248.327   58.828   2.0696   0.8309   2.1063   0.9484   1.9484   1.7237  257.169   69.901  239.484   94.639 17.68588 117.6551 
1 1 1   32   34   16 o  201.322   43.635   1.3166   0.5610   1.8101   0.6837   0.2991   0.9817  245.924   55.403  156.719   67.429 89.20555 87.27063 
1 1 1   32   34   18 o  165.435   47.668   0.6213   0.6346   0.8556   0.7448   0.0000   1.2126  173.500   63.692  157.370   70.939 16.12965 95.33643 
1 1 1   32   35    1 o  225.527   59.450   1.4820   0.9807   2.3232   1.3704   0.5990   1.4040  261.979   87.065  189.074   80.974 72.90459 118.8997 
1 1 1   32   35    3 o  221.540   57.892   1.4992   0.8851   1.1386   1.2713   1.8384   1.2331  205.072   81.201  238.008   82.537 -32.93652 115.7837 
1 1 1   32   35    5 o  274.634   64.858   2.6495   1.1139   3.3438   1.5424   1.8927   1.6103  308.998   90.970  240.271   92.469 68.72678 129.7154 
1 1 1   32   35    7 o  299.867   65.276   3.2931   1.1388   3.7576   1.4609   2.5737   1.8180  333.804   84.920  265.930   99.160 67.87369 130.5529 
1 1 1   32   35    9 o  258.060   64.338   2.2973   1.0452   2.0852   1.3455   2.6200   1.6596  247.678   86.197  268.442   95.538 -20.76425 128.6756 
1 1 1   32   35   11 o  172.960   47.334   0.7561   0.5462   0.7858   0.6244   0.6596   1.1274  167.442   58.696  178.479   74.276 -11.03722 94.66826 
1 1 1   32   35   13 o  163.734   46.273   0.5955   0.5155   0.5767   0.5828   0.6630   1.1053  150.613   56.148  176.856   73.567 -26.24289 92.54520 
1 1 1   32   35   15 f  230.430   52.825   1.8147   0.7102   1.9854   0.8266   1.3333   1.3881  251.495   63.820  209.365   84.195 42.12967 105.6497 
1 1 1   32   36    0 o   98.825   64.731   0.0000   0.8180   0.0000   0.0000   0.0000   0.8180   98.825   64.731   98.825   64.731 -0.000000 0.000000 
1 1 1   32   36    2 o  299.125   68.262   3.2919   1.1958   2.9340   1.6326   3.7062   1.7565  283.024   95.046  315.225   98.005 -32.20117 136.5234 
1 1 1   32   36    4 f  149.701   44.192   0.2897   0.5735   0.0000   0.7792   0.6321   0.8471  133.153   58.629  166.249   66.139 -33.09584 88.38363 
1 1 1   32   36    6 o  206.630   54.545   1.1701   0.8036   0.5548   1.0748   1.9500   1.2100  172.167   72.156  241.093   81.819 -68.92546 109.0909 
1 1 1   32   36    8 o  292.237   62.356   2.7896   1.0558   1.6187   1.3496   4.6371   1.6952  223.466   84.974  361.008   91.282 -137.5419 124.7112 
1 1 1   32   36   10 o  225.585   55.037   1.5450   0.6960   1.3959   0.7985   2.0166   1.4199  211.023   66.155  240.147   87.976 -29.12379 110.0745 
1 1 1   32   36   12 o  185.310   49.295   0.9899   0.5868   1.0701   0.6577   0.6767   1.2992  187.765   60.180  182.855   78.092 4.910217 98.59011 
1 1 1   32   37    1 o  164.221   50.391   0.2832   0.7918   0.6045   1.1568   0.0000   1.0860  176.482   74.456  151.960   67.923 24.52211 100.7825 
1 1 1   32   37    3 o  345.670   69.956   4.5579   1.3864   2.9612   1.9015   6.3702   2.0257  273.468  101.522  417.873   96.272 -144.4055 139.9110 
1 1 1   32   37    5 o  152.833   45.546   0.3529   0.6173   0.5798   0.7912   0.0000   0.9868  159.782   63.808  145.885   65.010 13.89655 91.09219 
1 1 1   32   37    7 o  202.700   54.905   1.2299   0.8306   1.6742   1.1120   0.6695   1.2490  224.259   78.346  181.141   76.944 43.11847 109.8109 
1 1 1   32   37    9 o  206.419   55.317   1.2206   0.8385   0.5420   1.1321   2.0454   1.2481  171.513   73.064  241.326   83.074 -69.81223 110.6330 
1 1 1   32   38    0 o  318.728  123.758   4.4047   1.9308   0.0000   0.0000   4.4047   1.9308  318.728  123.758  318.728  123.758 -0.000000 0.000000 
1 1 1   32   38    2 o  166.861   51.360   0.3826   0.8229   0.6103   1.0394   0.0000   1.3472  170.397   71.148  163.325   74.089 7.072571 102.7194 
1 1 1   33    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    0    3 o  218.868   96.774   1.8437   1.1461   0.0000   0.0000   1.8437   1.1461  218.868   96.774  218.868   96.774 -0.000000 0.000000 
1 1 1   33    0    5 o  126.818   73.520   0.5351   0.7828   0.0000   0.0000   0.5351   0.7828  126.818   73.520  126.818   73.520 -0.000000 0.000000 
1 1 1   33    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    0   11 o  475.661   68.397   6.3204   1.5722   6.3204   1.5722   0.0000   0.0000  475.661   68.397  475.661   68.397 -0.000000 0.000000 
1 1 1   33    0   13 o  228.615   65.789   1.8081   0.7389   1.4296   0.9111   2.5355   1.2629  192.311   86.303  264.918   99.320 -0.000000 0.000000 
1 1 1   33    0   15 o  260.221   63.988   2.2220   0.7573   1.7979   0.9426   2.9940   1.2717  222.060   86.533  298.382   94.285 -0.000000 0.000000 
1 1 1   33    0   17 o  160.196   53.242   0.9804   0.6114   1.5234   0.7621   0.0000   1.0241  207.102   76.988  113.289   73.564 -0.000000 0.000000 
1 1 1   33    0   19 o  180.628   57.095   1.1052   0.5691   1.8694   0.9734   0.7085   0.7014  225.798   87.925  135.458   72.861 0.000000 0.000000 
1 1 1   33    0   21 o  148.373   54.737   0.5591   0.5273   0.1866   0.6172   1.5652   1.0143   97.894   60.871  198.852   90.991 -0.000000 0.000000 
1 1 1   33    0   23 o  328.626   66.925   3.3135   0.9626   2.5446   1.1891   4.7745   1.6393  267.138   95.010  390.115   94.281 -0.000000 0.000000 
1 1 1   33    0   25 o  373.037   65.385   4.1274   1.0433   5.4174   1.8139   3.4897   1.2754  415.165   97.840  330.908   86.764 0.000000 0.000000 
1 1 1   33    0   27 o  416.065   97.789   5.4639   1.8174   5.4639   1.8174   0.0000   0.0000  416.065   97.789  416.065   97.789 0.000000 0.000000 
1 1 1   33    0   29 o  151.186   72.966   0.9131   0.6590   0.0000   0.0000   0.9131   0.6590  151.186   72.966  151.186   72.966 0.000000 0.000000 
1 1 1   33    0   31 o  457.088   58.670   6.1388   1.2266   5.5469   1.5808   7.0345   1.9446  430.813   79.289  483.362   86.499 -0.000000 0.000000 
1 1 1   33    0   33 o  488.013   56.571   7.0478   1.2919   6.8395   1.7095   7.3251   1.9726  483.745   73.842  492.281   85.724 -0.000000 0.000000 
1 1 1   33    0   35 o  169.740   57.777   1.1169   0.5873   1.6217   0.9415   0.7954   0.7514  200.227   87.696  139.254   75.248 0.000000 0.000000 
1 1 1   33    0   37 o  111.315   45.861   0.3904   0.3991   0.2765   0.4747   0.6645   0.7367   93.588   55.854  129.042   72.756 -0.000000 0.000000 
1 1 1   33    0   39 o  175.579   86.155   1.3478   0.9245   1.3478   0.9245   0.0000   0.0000  175.579   86.155  175.579   86.155 0.000000 0.000000 
1 1 1   33    1    0 o  417.956   95.065   5.2991   1.7806   0.0000   0.0000   5.2991   1.7806  417.956   95.065  417.956   95.065 -0.000000 0.000000 
1 1 1   33    1    2 o  538.084   45.975   7.6508   1.2196   8.3019   2.0696   7.3044   1.5096  552.191   72.901  523.978   56.039 28.21320 91.95083 
1 1 1   33    1    4 o  190.491   42.807   0.9983   0.4845   0.4390   0.8692   1.2504   0.5836  167.909   66.935  213.073   53.382 -45.16338 85.61484 
1 1 1   33    1    6 o  161.271   37.336   0.6481   0.3659   0.8842   0.5235   0.4226   0.5117  180.723   52.941  141.820   52.661 38.90399 74.67255 
1 1 1   33    1    8 o  229.758   69.854   1.4548   0.8984   1.4548   0.8984   0.0000   0.0000  229.758   69.854  ?   ?       ?      ? 
1 1 1   33    1   10 o  301.428   70.866   2.5722   1.0797   2.5722   1.0797   0.0000   0.0000  301.428   70.866  ?   ?       ?      ? 
1 1 1   33    1   12 o  606.605   63.057   9.9546   1.9666   9.9546   1.9666   0.0000   0.0000  606.605   63.057  ?   ?       ?      ? 
1 1 1   33    1   14 o  192.839   37.770   1.0337   0.4621   0.0000   0.7350   1.7093   0.5942  135.651   58.354  250.028   47.969 -114.3777 75.53983 
1 1 1   33    1   16 o  349.083   37.899   3.3318   0.6566   2.8379   0.9383   3.8057   0.9192  319.621   59.286  378.546   47.229 -58.92456 75.79787 
1 1 1   33    1   18 o  404.510   35.919   4.3845   0.7427   4.9703   1.0605   3.8208   1.0404  431.988   47.751  377.031   53.671 54.95676 71.83814 
1 1 1   33    1   20 o  148.026   37.133   0.5238   0.3544   0.4887   0.4977   0.5599   0.5048  144.958   52.240  151.094   52.787 -6.135422 74.26661 
1 1 1   33    1   22 o  239.547   40.209   1.5955   0.5029   2.2919   0.7386   0.9934   0.6867  287.950   51.793  191.144   61.519 96.80544 80.41859 
1 1 1   33    1   24 o  337.821   38.016   3.0950   0.6602   3.0999   0.9266   3.0900   0.9408  338.245   53.285  337.396   54.236 0.8489685 76.03213 
1 1 1   33    1   26 o  202.364   46.080   1.1839   0.5464   0.6195   1.0381   1.4003   0.6427  182.571   73.026  222.156   56.221 -39.58531 92.16080 
1 1 1   33    1   28 o  213.374   57.784   1.3006   0.6495   1.3006   0.6495   0.0000   0.0000  213.374   57.784  ?   ?       ?      ? 
1 1 1   33    1   30 o  144.720   37.768   0.4810   0.3566   0.4753   0.6202   0.4838   0.4359  149.870   57.455  139.571   49.036 10.29916 75.53531 
1 1 1   33    1   32 o  180.870   38.191   0.9278   0.3824   0.9670   0.5433   0.8892   0.5384  184.263   53.917  177.476   54.103 6.786392 76.38165 
1 1 1   33    1   34 o  130.425   34.953   0.3624   0.3228   0.2810   0.4426   0.4549   0.4718  122.725   48.129  138.125   50.698 -15.39992 69.90515 
1 1 1   33    1   36 o  180.036   35.633   0.9006   0.3652   1.3866   0.5344   0.4748   0.5003  219.536   48.631  140.537   52.094 78.99986 71.26523 
1 1 1   33    1   38 o  200.640   39.554   1.2022   0.4264   1.3955   0.6113   1.0192   0.5949  216.133   54.907  185.147   56.949 30.98573 79.10786 
1 1 1   33    2    1 o  203.618   42.444   1.1290   0.4751   1.2053   0.6745   1.0538   0.6694  209.582   59.706  197.654   60.341 11.92830 84.88731 
1 1 1   33    2    3 o  390.845   39.357   4.0625   0.7897   4.3648   1.1289   3.7729   1.1049  405.426   54.161  376.265   57.117 29.16135 78.71378 
1 1 1   33    2    5 o  417.865   53.768   4.9060   1.1015   7.2522   1.6174   2.8762   1.5043  520.345   60.457  315.385   88.933 204.9596 107.5367 
1 1 1   33    2    7 o  163.261   42.497   0.5597   0.4795   0.8108   0.6772   0.3073   0.6790  179.472   61.207  147.050   58.973 32.42192 84.99478 
1 1 1   33    2    9 o  270.054   48.620   2.0028   0.7100   3.0062   1.0443   1.1402   0.9682  328.826   64.075  211.282   73.145 117.5439 97.24076 
1 1 1   33    2   11 o  238.747   48.254   1.5929   0.6244   1.7815   0.8882   1.4087   0.8779  251.556   67.343  225.939   69.129 25.61725 96.50864 
1 1 1   33    2   13 o  540.526   62.505   9.1286   1.5303   10.960   1.9353   6.0720   2.5000  638.033   58.997  443.019  110.213 195.0139 125.0102 
1 1 1   33    2   15 o  195.645   41.900   1.0002   0.4409   1.2370   0.7521   0.8762   0.5442  211.576   63.820  179.715   54.308 31.86110 83.79961 
1 1 1   33    2   17 o  211.896   39.954   1.2559   0.4469   1.4505   0.6252   1.0526   0.6392  228.132   54.118  195.661   58.794 32.47025 79.90888 
1 1 1   33    2   19 o  446.300   35.033   5.3342   0.8023   5.6544   1.1284   5.0068   1.1410  460.511   47.659  432.090   51.361 28.42096 70.06687 
1 1 1   33    2   21 o  237.541   41.749   1.5886   0.5077   1.7467   0.7408   1.4487   0.6972  248.653   58.864  226.429   59.219 22.22363 83.49744 
1 1 1   33    2   23 o  190.508   40.265   1.0053   0.4239   0.9875   0.5782   1.0260   0.6233  188.657   55.745  192.359   58.118 -3.702072 80.53088 
1 1 1   33    2   25 o  178.290   46.324   0.7653   0.5182   0.5970   1.0262   0.8229   0.6003  181.264   72.570  175.316   57.594 5.947372 92.64703 
1 1 1   33    2   27 o  243.783   42.014   1.5941   0.5331   0.9856   0.6876   2.5112   0.8441  189.384   61.611  298.182   57.140 -108.7979 84.02879 
1 1 1   33    2   29 o  398.916   44.780   3.9866   0.8350   3.3703   0.9685   5.7708   1.6478  350.335   53.771  447.497   71.621 -97.16235 89.55954 
1 1 1   33    2   31 o  177.898   40.911   0.8848   0.4258   0.7410   0.7034   0.9680   0.5350  171.094   62.036  184.702   53.352 -13.60796 81.82243 
1 1 1   33    2   33 o  322.406   37.930   2.9332   0.6145   3.0477   0.8601   2.8138   0.8783  332.101   50.376  312.711   56.720 19.38959 75.86066 
1 1 1   33    2   35 o  161.000   34.588   0.6954   0.3372   1.0956   0.4794   0.3036   0.4744  195.423   48.049  126.577   49.766 68.84654 69.17655 
1 1 1   33    2   37 f  188.794   34.885   1.0351   0.3807   1.6337   0.5310   0.4018   0.5461  240.042   44.672  137.546   53.594 102.4951 69.77023 
1 1 1   33    2   39 o  184.317   69.904   0.9666   0.9118   0.9666   0.9118   0.0000   0.0000  184.317   69.904  ?   ?       ?      ? 
1 1 1   33    3    0 o  299.055  101.436   3.0793   1.3969   0.0000   0.0000   3.0793   1.3969  299.055  101.436  299.055  101.436 -0.000000 0.000000 
1 1 1   33    3    2 o  296.620   45.223   2.1849   0.6842   1.2984   0.8570   3.7427   1.1361  218.948   68.520  374.291   59.037 -155.3432 90.44559 
1 1 1   33    3    4 o  234.511   45.749   1.5513   0.5676   1.6994   0.7277   1.3211   0.9072  247.659   58.144  221.362   70.649 26.29684 91.49831 
1 1 1   33    3    6 f  394.957   53.427   4.5114   1.0372   3.3476   1.5582   5.4375   1.3899  339.407   88.412  450.507   60.009 -111.1006 106.8538 
1 1 1   33    3    8 o  110.349   32.570   0.0752   0.3081   0.0000   0.4609   0.1360   0.4144  108.633   46.455  112.065   45.662 -3.432297 65.13949 
1 1 1   33    3   10 o  199.882   44.874   1.0481   0.5239   1.3398   0.7687   0.7951   0.7158  220.028   64.063  179.736   62.855 40.29234 89.74853 
1 1 1   33    3   12 o  159.128   41.796   0.5467   0.4592   0.3697   0.7030   0.6783   0.6064  152.031   60.325  166.225   57.867 -14.19368 83.59232 
1 1 1   33    3   14 o  186.645   45.750   0.8880   0.5040   0.9713   0.5843   0.6459   0.9965  188.586   56.111  184.703   72.275 3.882324 91.49953 
1 1 1   33    3   16 o  422.245   55.499   4.8827   1.1187   4.2688   1.3787   6.0665   1.9144  387.882   71.777  456.608   84.667 -68.72534 110.9975 
1 1 1   33    3   18 o  328.332   45.257   3.1396   0.7163   2.4834   1.1597   3.5443   0.9108  292.152   76.358  364.512   48.602 -72.35953 90.51381 
1 1 1   33    3   20 o  408.212   35.579   4.4749   0.7412   3.8224   1.0358   5.1595   1.0610  376.565   53.502  439.859   46.917 -63.29382 71.15896 
1 1 1   33    3   22 o  228.112   39.849   1.4066   0.4846   2.1858   0.7323   0.7993   0.6465  280.687   52.679  175.537   59.805 105.1500 79.69804 
1 1 1   33    3   24 o  302.527   53.162   2.4855   0.7317   3.1588   1.5018   2.2760   0.8378  321.470   88.205  283.585   59.368 37.88593 106.3232 
1 1 1   33    3   26 o  244.654   42.008   1.6357   0.5191   1.2745   0.6660   2.1947   0.8286  211.760   58.985  277.549   59.828 -65.78830 84.01512 
1 1 1   33    3   28 o  209.411   39.505   1.2475   0.4334   1.1848   0.6052   1.3135   0.6209  204.136   55.983  214.686   55.753 -10.54944 79.00933 
1 1 1   33    3   30 o  404.905   60.737   5.0678   1.2215   4.6170   1.6454   5.6214   1.8232  384.839   85.395  424.970   86.391 -40.13168 121.4733 
1 1 1   33    3   32 o  475.994   35.501   6.2960   0.8573   7.1960   1.1918   5.3310   1.2341  514.670   45.040  437.318   54.888 77.35284 71.00194 
1 1 1   33    3   34 o  179.706   45.806   0.7706   0.4443   0.7072   0.4893   1.0679   1.0604  159.974   51.969  199.438   75.446 -39.46428 91.61208 
1 1 1   33    3   36 o  178.434   38.867   0.9112   0.3893   0.8210   0.5169   1.0294   0.5919  169.465   53.240  187.404   56.638 -17.93849 77.73308 
1 1 1   33    3   38 o  266.337   52.175   2.3300   0.7391   2.1694   1.1301   2.4501   0.9770  254.520   78.526  278.155   68.721 -23.63412 104.3499 
1 1 1   33    4    1 o  186.065   45.834   0.7817   0.5765   0.2031   0.8394   1.2983   0.7931  154.271   64.135  217.859   65.497 -63.58780 91.66899 
1 1 1   33    4    3 o  276.403   49.910   2.1167   0.6747   2.2079   1.2122   2.0757   0.8121  279.009   80.221  273.797   59.401 5.211731 99.81971 
1 1 1   33    4    5 o  175.401   42.291   0.7313   0.4297   0.9106   0.7781   0.6526   0.5154  190.440   65.592  160.363   53.402 30.07707 84.58170 
1 1 1   33    4    7 o  442.324   48.240   5.2692   1.0543   6.7815   1.6044   4.1196   1.3988  502.087   62.152  382.560   73.794 119.5272 96.47990 
1 1 1   33    4    9 o  418.004   45.804   4.7073   0.9819   5.0106   1.4531   4.4524   1.3320  430.038   65.722  405.971   63.818 24.06689 91.60825 
1 1 1   33    4   11 o  289.422   48.046   2.3005   0.7099   3.1649   1.0792   1.6410   0.9426  336.905   64.657  241.939   71.085 94.96661 96.09161 
1 1 1   33    4   13 f  175.958   37.731   0.8371   0.3724   0.7462   0.5401   0.9194   0.5141  168.692   54.584  183.224   52.106 -14.53221 75.46188 
1 1 1   33    4   15 o  370.046   36.110   3.6454   0.6851   4.0397   0.9936   3.2880   0.9459  389.457   49.621  350.636   52.473 38.82083 72.21953 
1 1 1   33    4   17 o  368.841   51.635   3.8396   0.8444   3.8321   0.9804   3.8613   1.6618  378.690   50.357  358.992   90.160 19.69833 103.2696 
1 1 1   33    4   19 o  153.058   42.985   0.3850   0.5104   0.6000   0.6372   0.0000   0.8526  161.325   58.961  144.790   62.566 16.53525 85.97082 
1 1 1   33    4   21 f  335.862   39.513   3.1023   0.6621   2.6623   0.9252   3.5644   0.9481  307.474   60.680  364.250   50.626 -56.77676 79.02546 
1 1 1   33    4   23 o  149.050   40.698   0.4466   0.4188   0.2757   0.7873   0.5141   0.4946  151.623   62.493  146.477   52.155 5.146225 81.39684 
1 1 1   33    4   25 o  191.889   41.780   1.0108   0.4498   0.9146   0.5970   1.1371   0.6843  182.495   57.198  201.282   60.914 -18.78676 83.55955 
1 1 1   33    4   27 o  259.730   40.715   1.9353   0.5303   2.1790   0.7340   1.6693   0.7670  278.824   53.140  240.636   61.700 38.18764 81.42979 
1 1 1   33    4   29 o  428.345   35.277   5.0021   0.7759   5.2389   1.0913   4.7601   1.1033  439.355   48.310  417.335   51.421 22.02023 70.55496 
1 1 1   33    4   31 o  270.707   48.766   1.7694   0.5998   1.3445   0.6794   3.2708   1.2772  215.099   59.455  326.316   77.315 -111.2172 97.53175 
1 1 1   33    4   33 o  224.673   38.226   1.4622   0.4407   1.7784   0.6285   1.1565   0.6180  249.869   50.661  199.477   57.256 50.39192 76.45118 
1 1 1   33    4   35 o  149.759   35.096   0.5168   0.3410   0.1395   0.4555   0.9979   0.5144  113.850   47.281  185.669   51.880 -71.81889 70.19241 
1 1 1   33    4   37 o  142.689   38.910   0.2921   0.3988   0.8934   0.6974   0.0000   0.4861  177.240   62.035  108.137   46.984 69.10199 77.81926 
1 1 1   33    4   39 o  147.488   38.022   0.5362   0.3950   0.8379   0.5431   0.1976   0.5754  169.059   54.740  125.917   52.784 43.14224 76.04366 
1 1 1   33    5    0 o  132.991   65.670   0.6848   0.5386   0.6848   0.5386   0.0000   0.0000  132.991   65.670  132.991   65.670 0.000000 0.000000 
1 1 1   33    5    2 o  515.329   38.452   7.0521   1.0154   7.8459   1.4621   6.3126   1.4112  543.956   52.281  486.702   56.399 57.25320 76.90327 
1 1 1   33    5    4 o  323.931   45.163   2.5232   0.7016   4.0963   1.2874   1.8588   0.8367  389.890   64.226  257.973   63.512 131.9178 90.32552 
1 1 1   33    5    6 o  518.112   49.542   7.1037   1.3197   0.0000   0.0000   7.1037   1.3197  ?   ?   518.112   49.542      ?      ? 
1 1 1   33    5    8 o  710.507   59.625   13.549   2.1781   0.0000   0.0000   13.549   2.1781  ?   ?   710.507   59.625      ?      ? 
1 1 1   33    5   10 o  342.014   66.075   3.2676   1.1198   0.0000   0.0000   3.2676   1.1198  ?   ?   342.014   66.075      ?      ? 
1 1 1   33    5   12 o  271.746   48.499   2.0374   0.6805   2.6537   1.0387   1.5739   0.9008  306.539   67.714  236.954   69.452 69.58505 96.99870 
1 1 1   33    5   14 o  170.513   40.578   0.7571   0.4423   0.1979   0.7764   1.0258   0.5382  148.251   61.661  192.774   52.765 -44.52322 81.15556 
1 1 1   33    5   16 o  229.915   41.414   1.4685   0.4908   1.6886   0.7285   1.2857   0.6640  245.339   58.568  214.492   58.569 30.84709 82.82781 
1 1 1   33    5   18 o  138.231   39.995   0.2781   0.3886   0.3443   0.4324   0.0000   0.8859  128.954   48.304  147.508   63.758 -18.55424 79.98971 
1 1 1   33    5   20 o  373.083   42.281   3.6637   0.7764   4.8056   1.2710   2.9841   0.9806  420.022   58.858  326.145   60.715 93.87759 84.56102 
1 1 1   33    5   22 o  265.765   47.491   1.6448   0.6552   3.4719   1.1833   0.8371   0.7868  348.057   68.565  183.473   65.729 164.5844 94.98130 
1 1 1   33    5   24 o  173.197   40.351   0.7868   0.4123   0.7085   0.5402   0.8960   0.6382  164.264   54.668  182.129   59.365 -17.86469 80.70189 
1 1 1   33    5   26 o  288.466   39.761   2.3441   0.5684   2.3129   0.7940   2.3768   0.8140  286.592   55.896  290.340   56.562 -3.747437 79.52144 
1 1 1   33    5   28 o  200.158   39.594   1.1388   0.4235   1.1660   0.5899   1.1098   0.6083  202.544   55.161  197.772   56.817 4.771973 79.18896 
1 1 1   33    5   30 o  203.813   38.020   1.1870   0.4042   1.1953   0.5721   1.1788   0.5711  204.520   53.713  203.105   53.824 1.414688 76.04022 
1 1 1   33    5   32 o  327.558   55.664   3.2171   0.9135   2.6364   1.1674   4.1343   1.4671  291.254   76.846  363.861   80.553 -72.60709 111.3285 
1 1 1   33    5   34 o  225.589   41.262   1.4997   0.4828   1.3783   0.6720   1.6291   0.6940  215.979   58.896  235.198   57.805 -19.21931 82.52402 
1 1 1   33    5   36 o  209.040   43.934   1.2356   0.4960   1.7155   0.8243   0.9632   0.6210  236.120   65.568  181.960   58.494 54.15990 87.86768 
1 1 1   33    5   38 o  208.729   41.262   1.3257   0.4718   1.6636   0.6628   0.9786   0.6719  235.595   55.611  181.862   60.973 53.73341 82.52431 
1 1 1   33    6    1 o  214.892   40.229   1.2406   0.4819   1.9069   0.6951   0.6241   0.6686  263.696   53.106  166.089   60.442 97.60675 80.45780 
1 1 1   33    6    3 o  415.344   38.152   4.5535   0.8115   5.1386   1.2035   4.0658   1.0988  439.817   53.222  390.870   54.680 48.94647 76.30490 
1 1 1   33    6    5 f  201.756   40.064   1.1165   0.4302   1.1220   0.6535   1.1123   0.5715  202.467   59.105  201.046   54.102 1.420914 80.12750 
1 1 1   33    6    7 o  245.350   43.798   1.8427   0.5833   0.7480   1.0503   2.3309   0.7014  193.425   74.611  297.275   45.892 -103.8498 87.59512 
1 1 1   33    6    9 o  367.761   60.416   3.6397   1.1423   0.0000   0.0000   3.6397   1.1423  ?   ?   367.761   60.416      ?      ? 
1 1 1   33    6   11 o  556.195   59.134   8.3262   1.6909   0.0000   0.0000   8.3262   1.6909  ?   ?   556.195   59.134      ?      ? 
1 1 1   33    6   13 o  479.197   48.134   6.0967   1.1859   0.0000   0.0000   6.0967   1.1859  ?   ?   479.197   48.134      ?      ? 
1 1 1   33    6   15 o  395.635   43.163   4.4129   0.8272   4.9860   1.0963   3.6554   1.2605  432.596   49.293  358.674   70.869 73.92197 86.32630 
1 1 1   33    6   17 o  305.690   44.692   2.6955   0.6825   3.2160   0.9083   2.0204   1.0344  346.611   50.973  264.769   73.426 81.84177 89.38460 
1 1 1   33    6   19 o  217.949   76.673   1.2521   1.0659   1.2521   1.0659   0.0000   0.0000  217.949   76.673  ?   ?       ?      ? 
1 1 1   33    6   21 f  234.569   66.315   1.5718   0.8353   0.0000   0.0000   1.5718   0.8353  ?   ?   234.569   66.315      ?      ? 
1 1 1   33    6   23 o  341.413   38.859   3.2552   0.6524   3.8497   0.9071   2.6182   0.9390  379.290   46.517  303.536   62.259 75.75375 77.71734 
1 1 1   33    6   25 o  249.473   42.640   1.6414   0.5414   2.5667   0.8892   1.0962   0.6826  300.948   59.579  197.999   61.016 102.9494 85.27950 
1 1 1   33    6   27 o  262.404   39.237   1.9470   0.5101   1.9214   0.6827   1.9793   0.7674  261.493   52.607  263.314   58.230 -1.821716 78.47404 
1 1 1   33    6   29 o  483.188   34.810   6.3880   0.8593   7.0098   1.1986   5.7303   1.2326  509.336   45.772  457.039   52.458 52.29636 69.61971 
1 1 1   33    6   31 o  181.257   37.871   0.9353   0.3810   0.7829   0.5586   1.0678   0.5210  169.036   55.561  193.477   51.476 -24.44009 75.74150 
1 1 1   33    6   33 o  331.452   59.329   3.6689   1.0358   4.3693   1.3657   2.7204   1.5893  378.874   72.758  284.029   93.733 94.84503 118.6576 
1 1 1   33    6   35 o  267.057   48.281   2.1179   0.6328   2.4674   1.1204   1.9543   0.7668  277.814   76.166  256.300   59.357 21.51355 96.56295 
1 1 1   33    6   37 o  210.396   39.424   1.3363   0.4533   1.7928   0.6301   0.8464   0.6528  248.052   51.106  172.739   60.044 75.31288 78.84898 
1 1 1   33    6   39 o  150.780   38.928   0.5930   0.4243   0.8842   0.5181   0.0000   0.7392  172.736   53.146  128.824   56.894 43.91248 77.85542 
1 1 1   33    7    0 o  260.861   73.385   2.1581   0.8520   0.0000   0.0000   2.1581   0.8520  260.861   73.385  260.861   73.385 -0.000000 0.000000 
1 1 1   33    7    2 o  565.851   38.035   8.5554   1.1002   7.6788   1.5753   9.3905   1.5374  536.197   57.142  595.505   50.214 -59.30841 76.07067 
1 1 1   33    7    4 o  136.377   34.813   0.3855   0.3128   0.5849   0.4871   0.2455   0.4081  153.214   51.914  119.540   46.398 33.67352 69.62628 
1 1 1   33    7    6 o  548.224   35.668   7.9462   1.0010   8.2183   1.4964   7.7258   1.3466  556.049   52.343  540.399   48.468 15.64948 71.33671 
1 1 1   33    7    8 o  385.214   50.856   4.2714   0.9482   3.5266   1.5017   4.7653   1.2229  348.382   84.672  422.047   56.357 -73.66544 101.7123 
1 1 1   33    7   10 o  213.799   45.864   1.2601   0.5374   1.1719   0.8978   1.3094   0.6709  210.560   70.483  217.039   58.706 -6.478683 91.72863 
1 1 1   33    7   12 o  276.895   62.226   2.1515   0.8643   0.0000   0.0000   2.1515   0.8643  ?   ?   276.895   62.226      ?      ? 
1 1 1   33    7   14 o  266.021   45.596   1.6942   0.5759   2.9369   1.1068   1.2329   0.6743  321.556   69.013  210.486   59.608 111.0697 91.19150 
1 1 1   33    7   16 o  325.422   48.269   2.7647   0.7045   3.4471   1.4222   2.5428   0.8109  342.588   81.863  308.255   51.168 34.33328 96.53885 
1 1 1   33    7   18 o  183.290   42.341   0.7310   0.4507   1.4222   0.7965   0.4053   0.5467  224.477   65.171  142.104   54.071 82.37236 84.68108 
1 1 1   33    7   20 o  375.835   53.781   3.8155   1.0392   3.8155   1.0392   0.0000   0.0000  375.835   53.781  ?   ?       ?      ? 
1 1 1   33    7   22 o  359.566   48.543   3.6873   0.8741   3.4006   1.2814   3.9370   1.1955  340.831   75.149  378.303   61.468 -37.47202 97.08557 
1 1 1   33    7   24 o  254.337   39.588   1.8280   0.5058   1.4776   0.7069   2.1958   0.7242  227.692   59.664  280.982   52.049 -53.28943 79.17590 
1 1 1   33    7   26 o  398.855   36.415   4.3775   0.7348   5.0339   1.0153   3.6555   1.0647  432.988   45.608  364.722   56.782 68.26660 72.83076 
1 1 1   33    7   28 o  247.167   39.887   1.7609   0.4964   1.9586   0.6799   1.5353   0.7264  263.886   51.966  230.447   60.527 33.43878 79.77487 
1 1 1   33    7   30 o  175.209   36.091   0.7734   0.3780   1.3979   0.5689   0.2798   0.5058  221.812   50.955  128.607   51.125 93.20531 72.18102 
1 1 1   33    7   32 o  471.853   35.976   6.1719   0.8696   6.6408   1.2191   5.6862   1.2408  491.838   48.213  451.867   53.410 39.97162 71.95187 
1 1 1   33    7   34 o  143.823   49.051   0.5473   0.4349   0.0000   0.0000   0.5473   0.4349  ?   ?   143.823   49.051      ?      ? 
1 1 1   33    7   36 o  289.341   48.002   3.2790   0.7957   4.1686   0.9105   0.4043   1.6369  387.855   45.663  190.827   84.450 197.0275 96.00481 
1 1 1   33    7   38 o  197.845   43.731   1.2417   0.5075   1.4634   0.6232   0.8053   0.8744  220.642   55.101  175.048   67.922 45.59435 87.46185 
1 1 1   33    8    1 o  269.675   42.143   2.0246   0.5685   1.9161   0.8231   2.1235   0.7861  262.004   62.059  277.346   57.034 -15.34192 84.28638 
1 1 1   33    8    3 o  558.910   37.276   8.2958   1.0665   8.3910   1.5868   8.2174   1.4403  561.011   55.013  556.809   50.313 4.202576 74.55112 
1 1 1   33    8    5 o  194.122   39.291   1.0456   0.4127   0.8728   0.6491   1.1629   0.5347  182.801   59.881  205.443   50.885 -22.64249 78.58122 
1 1 1   33    8    7 o  319.369   48.356   2.9901   0.7042   2.4411   1.3509   3.1950   0.8252  290.922   84.991  347.816   46.149 -56.89413 96.71190 
1 1 1   33    8    9 f  222.026   45.705   1.4083   0.5570   1.0202   0.9277   1.6271   0.6966  202.228   71.488  241.824   56.966 -39.59552 91.40915 
1 1 1   33    8   11 o  194.589   43.230   1.0242   0.4745   0.9566   0.7767   1.0645   0.5994  192.574   65.551  196.604   56.378 -4.029739 86.46054 
1 1 1   33    8   13 o  369.244   49.629   4.3477   0.8341   2.5160   1.4515   5.2507   1.0192  292.956   88.727  445.533   44.493 -152.5771 99.25761 
1 1 1   33    8   15 o  290.302   44.649   1.9817   0.5989   3.5526   1.1744   1.4297   0.6962  354.926   66.812  225.678   59.248 129.2481 89.29782 
1 1 1   33    8   17 o  403.994   53.587   4.6381   1.0431   4.7070   1.7429   4.5996   1.3021  397.581   87.625  410.408   61.711 -12.82669 107.1749 
1 1 1   33    8   19 f  406.875   54.374   4.8547   1.0637   4.3753   1.7446   5.1384   1.3421  380.049   90.571  433.701   60.190 -53.65219 108.7474 
1 1 1   33    8   21 o  196.402   45.955   0.9376   0.5091   1.4118   0.9222   0.7297   0.6106  223.890   71.210  168.914   58.109 54.97638 91.91047 
1 1 1   33    8   23 o  626.370   47.172   10.965   1.4563   15.074   2.1384   7.4100   1.9889  743.559   55.937  509.182   75.973 234.3770 94.34444 
1 1 1   33    8   25 o  214.860   38.239   1.3419   0.4732   1.9549   0.6236   0.5105   0.7264  270.150   44.902  159.570   61.909 110.5802 76.47791 
1 1 1   33    8   27 o  191.886   39.172   1.0430   0.4083   1.1086   0.5518   0.9637   0.6071  197.918   53.117  185.855   57.587 12.06352 78.34325 
1 1 1   33    8   29 o  270.148   37.931   2.0432   0.5164   1.6951   0.7166   2.4192   0.7447  242.251   58.251  298.046   48.599 -55.79529 75.86197 
1 1 1   33    8   31 o  296.317   39.167   2.5612   0.5714   3.3203   0.7952   1.7511   0.8216  349.934   44.200  242.700   64.673 107.2338 78.33421 
1 1 1   33    8   33 o  208.037   52.295   1.2477   0.6926   1.2554   0.8819   1.2354   1.1189  206.730   69.853  209.344   77.845 -2.614120 104.5909 
1 1 1   33    8   35 o  131.074   52.853   0.2919   0.5486   0.2919   0.5486   0.0000   0.0000  131.074   52.853  ?   ?       ?      ? 
1 1 1   33    8   37 f  147.342   40.439   0.4951   0.3937   0.5177   0.4478   0.4181   0.8263  140.479   49.667  154.205   63.831 -13.72635 80.87826 
1 1 1   33    9    0 o  204.868   98.873   1.6741   1.2100   0.0000   0.0000   1.6741   1.2100  204.868   98.873  204.868   98.873 -0.000000 0.000000 
1 1 1   33    9    2 f  283.322   41.071   2.2073   0.5773   2.4760   0.8508   1.9778   0.7860  299.793   57.287  266.852   58.869 32.94104 82.14185 
1 1 1   33    9    4 o  486.694   48.160   5.8696   1.1285   4.9102   1.3398   8.2113   2.0933  427.095   61.017  546.292   74.529 -119.1965 96.32082 
1 1 1   33    9    6 o  302.648   80.141   2.6405   1.2667   2.6405   1.2667   0.0000   0.0000  302.648   80.141  ?   ?       ?      ? 
1 1 1   33    9    8 o  430.763   48.330   4.7927   1.0035   7.4001   1.6495   3.2606   1.2644  523.547   61.282  337.980   74.750 185.5668 96.65978 
1 1 1   33    9   10 f  410.539   47.032   4.5065   0.9546   5.8575   1.4993   3.5854   1.2380  464.779   62.742  356.300   70.081 108.4796 94.06329 
1 1 1   33    9   12 o  360.442   59.444   3.5118   1.1016   0.0000   0.0000   3.5118   1.1016  ?   ?   360.442   59.444      ?      ? 
1 1 1   33    9   14 o  340.300   50.968   3.1493   0.8394   4.0436   1.4100   2.6583   1.0448  375.048   75.732  305.551   68.232 69.49683 101.9363 
1 1 1   33    9   16 o  307.074   44.048   2.6667   0.6771   3.0038   0.9120   2.2528   1.0105  334.301   53.064  279.848   70.321 54.45374 88.09572 
1 1 1   33    9   18 o  189.778   36.415   1.0106   0.3867   0.5421   0.5695   1.4114   0.5268  153.274   55.782  226.281   46.824 -73.00775 72.82986 
1 1 1   33    9   20 o  192.944   40.057   0.7661   0.4104   1.7772   0.7901   0.3926   0.4802  249.795   61.849  136.094   50.920 113.7010 80.11340 
1 1 1   33    9   22 o  182.330   41.179   0.9473   0.4612   0.2258   0.8611   1.2374   0.5461  154.402   64.640  210.258   51.034 -55.85605 82.35768 
1 1 1   33    9   24 o  101.001   39.894   0.1594   0.3062   0.0000   0.0000   0.1594   0.3062  ?   ?   101.001   39.894      ?      ? 
1 1 1   33    9   26 o  164.731   36.176   0.6603   0.3950   1.2417   0.5417   0.0000   0.5773  209.936   50.751  119.527   51.566 90.40930 72.35178 
1 1 1   33    9   28 o  126.536   32.243   0.3472   0.2811   0.1214   0.4050   0.5571   0.3905  108.650   44.805  144.422   46.379 -35.77193 64.48661 
1 1 1   33    9   30 o  261.216   53.218   2.1279   0.6553   2.2115   0.7159   1.6959   1.6271  279.800   51.669  242.631   93.053 37.16905 106.4357 
1 1 1   33    9   32 o  415.624   59.466   5.5026   1.2222   5.7530   1.5868   5.1373   1.9163  441.608   69.888  389.640   96.231 51.96756 118.9320 
1 1 1   33    9   34 o  324.336   50.955   2.9430   0.8497   2.9430   0.8497   0.0000   0.0000  324.336   50.955  ?   ?       ?      ? 
1 1 1   33    9   36 o  223.680   50.248   1.3251   0.5433   1.1317   0.6039   2.1457   1.2440  194.930   56.793  252.430   82.909 -57.49910 100.4955 
1 1 1   33    9   38 o  335.616   42.653   2.6903   0.6677   1.4727   0.7792   6.0541   1.2952  216.064   64.915  455.168   55.347 -239.1039 85.30643 
1 1 1   33   10    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   10    3 o  538.296   49.450   7.9178   1.3186   7.9117   2.1672   7.9215   1.6614  533.734   78.979  542.858   59.529 -9.123718 98.90053 
1 1 1   33   10    5 o  149.942   38.551   0.5149   0.3741   0.3303   0.6706   0.5983   0.4507  147.385   58.780  152.498   49.894 -5.113220 77.10110 
1 1 1   33   10    7 o  386.595   48.399   3.9633   0.9620   0.0000   0.0000   3.9633   0.9620  ?   ?   386.595   48.399      ?      ? 
1 1 1   33   10    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   10   11 o  620.215   58.500   10.381   1.8654   0.0000   0.0000   10.381   1.8654  ?   ?   620.215   58.500      ?      ? 
1 1 1   33   10   13 o  360.293   48.413   3.4905   0.8674   4.6795   1.3754   2.7053   1.1177  413.652   64.675  306.935   72.060 106.7165 96.82670 
1 1 1   33   10   15 o  417.717   37.014   4.6419   0.7758   6.1491   1.1557   3.4056   1.0467  480.719   46.759  354.716   57.392 126.0023 74.02894 
1 1 1   33   10   17 o  277.657   39.598   2.1437   0.5454   2.3902   0.7943   1.9239   0.7501  293.506   54.649  261.808   57.320 31.69794 79.19649 
1 1 1   33   10   19 o  335.115   37.856   3.0961   0.6305   2.7018   0.9085   3.4624   0.8757  310.341   59.097  359.889   47.328 -49.54883 75.71221 
1 1 1   33   10   21 o  652.706   35.634   11.488   1.1892   12.981   1.6982   10.052   1.6658  696.046   47.456  609.365   53.171 86.68073 71.26886 
1 1 1   33   10   23 o  222.451   56.952   1.2994   0.7983   1.3092   0.9581   1.2771   1.4439  217.023   72.812  227.879   87.594 -10.85579 113.9049 
1 1 1   33   10   25 o  249.386   94.278   1.7083   1.6552   0.0000   0.0000   1.7083   1.6552  ?   ?   249.386   94.278      ?      ? 
1 1 1   33   10   27 o  212.914   68.180   1.2984   0.8443   1.2984   0.8443   0.0000   0.0000  212.914   68.180  ?   ?       ?      ? 
1 1 1   33   10   29 o  228.337   54.015   1.4935   0.6242   1.4935   0.6242   0.0000   0.0000  228.337   54.015  ?   ?       ?      ? 
1 1 1   33   10   31 o  353.198   61.301   3.7462   1.0697   2.9698   1.3168   5.2529   1.8344  305.391   82.097  401.006   91.056 -95.61517 122.6016 
1 1 1   33   10   33 o  158.811   52.906   0.6916   0.5059   0.6916   0.5059   0.0000   0.0000  158.811   52.906  ?   ?       ?      ? 
1 1 1   33   10   35 o  372.155   59.450   4.3966   1.0912   3.5987   1.3828   5.7133   1.7764  330.008   81.890  414.301   86.203 -84.29297 118.8995 
1 1 1   33   10   37 o  209.408   47.660   1.2079   0.5068   1.0498   0.5732   1.7740   1.0847  187.406   55.533  231.411   77.472 -44.00569 95.31943 
1 1 1   33   11    0 o  593.180   70.163   9.6895   2.0610   9.6895   2.0610   0.0000   0.0000  593.180   70.163  593.180   70.163 0.000000 0.000000 
1 1 1   33   11    2 f  250.734   54.430   1.7387   0.6815   0.0000   0.0000   1.7387   0.6815  ?   ?   250.734   54.430      ?      ? 
1 1 1   33   11    4 o  223.022   42.777   1.2622   0.4670   1.7504   0.8762   1.0684   0.5520  249.211   66.959  196.833   53.254 52.37825 85.55445 
1 1 1   33   11    6 o  406.563   47.171   4.3783   0.9860   0.0000   0.0000   4.3783   0.9860  ?   ?   406.563   47.171      ?      ? 
1 1 1   33   11    8 o  514.823   47.234   7.0274   1.2502   0.0000   0.0000   7.0274   1.2502  ?   ?   514.823   47.234      ?      ? 
1 1 1   33   11   10 o  210.418   42.135   0.9041   0.5053   2.2347   0.8898   0.2708   0.6138  281.765   63.002  139.071   55.967 142.6940 84.27060 
1 1 1   33   11   12 o  382.531   76.652   4.2110   1.4550   4.2110   1.4550   0.0000   0.0000  382.531   76.652  ?   ?       ?      ? 
1 1 1   33   11   14 o  185.758   42.834   0.8069   0.4303   1.2613   0.8293   0.6395   0.5034  213.706   67.479  157.811   52.780 55.89584 85.66858 
1 1 1   33   11   16 o  205.414   43.308   0.9939   0.4606   1.7258   0.8715   0.7102   0.5425  245.735   67.095  165.094   54.777 80.64142 86.61541 
1 1 1   33   11   18 o  341.117   37.232   3.1181   0.6509   3.4461   0.9642   2.8436   0.8823  357.555   52.452  324.678   52.855 32.87628 74.46442 
1 1 1   33   11   20 o  218.578   39.360   1.3379   0.4457   1.5768   0.6484   1.1239   0.6136  236.907   54.387  200.249   56.912 36.65802 78.72063 
1 1 1   33   11   22 o  160.564   43.398   0.5401   0.4079   0.5604   0.4453   0.4346   1.0168  147.674   49.638  173.453   71.200 -25.77916 86.79543 
1 1 1   33   11   24 o  184.881   48.563   0.8222   0.4990   0.8813   0.5362   0.4396   1.3636  178.382   53.906  191.381   80.794 -12.99847 97.12657 
1 1 1   33   11   26 f  247.409   90.094   1.7640   1.4858   0.0000   0.0000   1.7640   1.4858  ?   ?   247.409   90.094      ?      ? 
1 1 1   33   11   28 o  342.605   58.553   4.0707   1.1156   5.2899   1.3818   1.7879   1.8908  432.960   62.075  252.250   99.300 180.7100 117.1060 
1 1 1   33   11   30 o  335.609   77.008   3.4756   1.3005   3.4756   1.3005   0.0000   0.0000  335.609   77.008  ?   ?       ?      ? 
1 1 1   33   11   32 o  113.828   39.420   0.3225   0.2812   0.3225   0.2812   0.0000   0.0000  113.828   39.420  ?   ?       ?      ? 
1 1 1   33   11   34 f  465.724   40.166   4.9560   0.7682   4.2299   0.8397   8.6797   1.9017  393.795   41.477  537.653   68.795 -143.8586 80.33134 
1 1 1   33   11   36 o  247.219   45.857   2.1580   0.6100   2.5123   0.6910   0.9079   1.2980  300.694   44.698  193.744   80.084 106.9495 91.71317 
1 1 1   33   12    1 o  365.240   37.282   3.5474   0.6989   3.8385   1.0187   3.2885   0.9606  379.481   52.213  350.998   53.230 28.48248 74.56346 
1 1 1   33   12    3 f  617.925   40.853   8.9919   1.1919   13.810   2.3200   7.2639   1.3893  713.740   63.223  522.110   51.756 191.6304 81.70581 
1 1 1   33   12    5 o  268.183   39.457   1.9326   0.5231   2.5253   0.8142   1.5160   0.6826  303.237   54.212  233.129   57.344 70.10826 78.91373 
1 1 1   33   12    7 o  471.541   44.167   5.5067   0.9614   7.3014   1.9177   4.9043   1.1110  513.990   72.571  429.091   50.363 84.89865 88.33422 
1 1 1   33   12    9 o  138.354   38.026   0.3510   0.3332   0.2978   0.7397   0.3646   0.3732  150.383   61.112  126.326   45.269 24.05767 76.05188 
1 1 1   33   12   11 o  410.290   46.306   4.4985   0.9620   5.2878   1.5319   3.9845   1.2361  438.292   67.982  382.288   62.892 56.00363 92.61184 
1 1 1   33   12   13 o  565.481   61.757   9.5647   1.6536   10.454   2.1126   8.1575   2.6568  616.177   66.688  514.784  103.963 101.3923 123.5136 
1 1 1   33   12   15 o  339.759   44.819   2.8877   0.7311   4.3870   1.3176   2.2208   0.8787  399.564   64.138  279.953   62.620 119.6107 89.63759 
1 1 1   33   12   17 o  275.845   53.440   2.0462   0.6969   1.8651   0.7995   2.6186   1.4215  256.234   61.477  295.456   87.430 -39.22177 106.8810 
1 1 1   33   12   19 o  335.203   52.548   2.9901   0.7939   2.6564   0.9176   3.9844   1.5838  306.868   60.310  363.539   86.069 -56.67120 105.0961 
1 1 1   33   12   21 f  192.026   45.405   1.0284   0.4876   1.1611   0.5401   0.4442   1.1335  203.500   51.564  180.552   74.752 22.94777 90.81100 
1 1 1   33   12   23 o  359.539   57.754   4.4141   0.9210   4.8655   1.0345   2.6882   2.0226  425.268   47.313  293.810  105.373 131.4585 115.5073 
1 1 1   33   12   25 o  203.864   48.957   1.1774   0.5402   1.3003   0.5840   0.4489   1.4221  214.145   53.265  193.583   82.160 20.56218 97.91492 
1 1 1   33   12   27 o  403.143   53.050   4.0251   0.8674   3.5197   0.9562   6.3727   2.0608  358.278   51.912  448.009   92.533 -89.73087 106.0999 
1 1 1   33   12   29 o  153.088   49.589   0.6346   0.4457   0.6346   0.4457   0.0000   0.0000  153.088   49.589  ?   ?       ?      ? 
1 1 1   33   12   31 o  215.545   49.491   1.4011   0.5612   1.4947   0.6137   0.9231   1.3873  227.385   53.405  203.705   83.339 23.67921 98.98199 
1 1 1   33   12   33 o  147.909   43.052   0.6127   0.3472   0.6127   0.3472   0.0000   0.0000  147.909   43.052  ?   ?       ?      ? 
1 1 1   33   12   35 o  252.585   40.650   1.7453   0.5279   1.7453   0.5279   0.0000   0.0000  252.585   40.650  ?   ?       ?      ? 
1 1 1   33   12   37 o  150.588   44.751   0.3598   0.5367   0.3184   0.6304   0.4689   1.0233  136.535   56.055  164.641   69.774 -28.10631 89.50231 
1 1 1   33   13    0 o  642.514   48.597   10.964   1.5842   0.0000   0.0000   10.964   1.5842  642.514   48.597  642.514   48.597 -0.000000 0.000000 
1 1 1   33   13    2 o  280.344   37.706   2.0868   0.5272   2.8320   0.8060   1.5297   0.6969  326.677   47.989  234.010   58.174 92.66722 75.41287 
1 1 1   33   13    4 o  222.789   38.603   1.2459   0.4537   2.1814   0.7344   0.6685   0.5770  281.725   52.637  163.853   56.480 117.8721 77.20509 
1 1 1   33   13    6 o  167.437   42.284   0.6872   0.4248   0.3344   0.9145   0.7843   0.4796  164.660   67.550  170.213   50.881 -5.552841 84.56882 
1 1 1   33   13    8 o  220.594   45.632   1.2528   0.4888   1.5778   1.0101   1.1534   0.5585  237.341   74.405  203.847   52.850 33.49405 91.26429 
1 1 1   33   13   10 o  578.002   72.993   9.2946   2.1691   9.2946   2.1691   0.0000   0.0000  578.002   72.993  ?   ?       ?      ? 
1 1 1   33   13   12 f  556.331   63.414   9.5514   1.6464   11.287   2.1319   6.9868   2.5914  641.457   64.643  471.205  109.118 170.2515 126.8287 
1 1 1   33   13   14 o  192.013   51.153   0.8329   0.6770   0.8205   0.8704   0.8519   1.0772  186.583   68.800  197.442   75.716 -10.85899 102.3051 
1 1 1   33   13   16 o  263.188   54.969   1.9930   0.7856   1.8462   1.0218   2.2052   1.2287  252.670   73.948  273.705   81.352 -21.03502 109.9386 
1 1 1   33   13   18 o  188.575   44.689   0.9812   0.5010   1.1576   0.5784   0.4509   1.0028  203.193   54.321  173.956   70.976 29.23755 89.37791 
1 1 1   33   13   20 o  711.292   46.961   12.955   1.5365   11.636   1.7754   16.891   3.0666  655.470   52.683  767.115   77.754 -111.6455 93.92146 
1 1 1   33   13   22 o  156.824   42.932   0.4765   0.3458   0.4787   0.3650   0.4575   1.0793  136.082   44.921  177.566   73.176 -41.48389 85.86381 
1 1 1   33   13   24 o  321.139   54.331   2.6283   0.6238   2.4933   0.6620   3.6956   1.8619  305.484   42.152  336.795  100.153 -31.31033 108.6624 
1 1 1   33   13   26 o  257.074   51.042   2.1470   0.6699   2.3894   0.7334   0.9268   1.6455  296.692   48.083  217.457   90.050 79.23471 102.0832 
1 1 1   33   13   28 o  158.182   59.214   0.5844   0.6495   0.5844   0.6495   0.0000   0.0000  158.182   59.214  ?   ?       ?      ? 
1 1 1   33   13   30 o  217.783   50.586   1.2360   0.4614   1.2172   0.4833   1.4298   1.5493  207.398   46.479  228.167   89.864 -20.76927 101.1728 
1 1 1   33   13   32 f  165.789   41.345   0.7724   0.4300   0.9487   0.4765   0.0000   0.9975  181.688   49.617  149.889   66.149 31.79892 82.68905 
1 1 1   33   13   34 o  218.414   53.744   1.4060   0.5994   1.4060   0.5994   0.0000   0.0000  218.414   53.744  ?   ?       ?      ? 
1 1 1   33   13   36 o  255.193   40.849   1.7934   0.5359   1.7934   0.5359   0.0000   0.0000  255.193   40.849  ?   ?       ?      ? 
1 1 1   33   14    1 o  330.650   43.083   2.4918   0.5525   2.2273   0.6010   3.9325   1.4029  290.980   40.176  370.320   76.226 -79.33975 86.16608 
1 1 1   33   14    3 o  419.685   38.363   3.5064   0.6779   2.7495   0.7431   7.2596   1.6549  322.357   44.840  517.013   62.259 -194.6570 76.72535 
1 1 1   33   14    5 o  350.565   52.242   3.3279   0.6854   3.2659   0.7427   3.6834   1.7790  352.074   41.032  349.055   96.091 3.019226 104.4850 
1 1 1   33   14    7 o  382.794   60.154   4.2646   1.1577   3.3768   1.5702   5.3221   1.7136  336.480   89.287  429.107   80.634 -92.62744 120.3076 
1 1 1   33   14    9 o  510.282   46.612   6.9207   1.2229   6.9207   1.2229   0.0000   0.0000  510.282   46.612  ?   ?       ?      ? 
1 1 1   33   14   11 o  138.907   46.038   0.4923   0.3833   0.4923   0.3833   0.0000   0.0000  138.907   46.038  ?   ?       ?      ? 
1 1 1   33   14   13 o  187.116   47.566   0.7984   0.4561   0.7888   0.4919   0.8569   1.2187  170.396   51.662  203.835   79.882 -33.43889 95.13229 
1 1 1   33   14   15 o  188.187   45.592   0.9354   0.4511   1.0166   0.4869   0.4440   1.1978  191.279   49.224  185.096   76.755 6.183578 91.18324 
1 1 1   33   14   17 o  456.389   64.412   6.9096   1.4500   9.1597   1.8871   3.6654   2.2659  575.916   63.732  336.862  111.954 239.0529 128.8235 
1 1 1   33   14   19 f  236.087   50.049   1.2097   0.4814   1.0495   0.5148   2.3259   1.3588  193.764   50.990  278.410   86.138 -84.64650 100.0985 
1 1 1   33   14   21 o  558.039   45.716   7.4240   0.9799   6.8420   1.0604   10.823   2.5628  507.443   40.647  608.635   81.901 -101.1918 91.43246 
1 1 1   33   14   23 o  196.731   45.118   1.0894   0.4193   1.1620   0.4433   0.4711   1.2931  204.877   43.434  188.584   79.096 16.29257 90.23700 
1 1 1   33   14   25 o  283.761   54.489   1.9288   0.6046   1.7224   0.6475   3.3350   1.6899  246.759   52.641  320.763   95.421 -74.00409 108.9780 
1 1 1   33   14   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   14   29 o  582.906   47.289   8.7516   1.0168   8.2799   1.0968   11.632   2.7108  555.817   38.383  609.994   86.439 -54.17694 94.57754 
1 1 1   33   14   31 o  259.365   48.292   1.9977   0.5230   2.0067   0.5637   1.9420   1.4020  272.376   40.258  246.354   87.795 26.02209 96.58445 
1 1 1   33   14   33 o  274.266   48.126   2.4313   0.5520   2.5134   0.5986   1.9654   1.4261  304.741   38.209  243.791   88.343 60.95006 96.25136 
1 1 1   33   14   35 o  175.668   44.008   0.6306   0.3943   0.4616   0.4313   1.4903   0.9728  134.852   48.627  216.484   73.365 -81.63261 88.01688 
1 1 1   33   15    0 o  297.433  105.645   3.1532   1.4714   0.0000   0.0000   3.1532   1.4714  297.433  105.645  297.433  105.645 -0.000000 0.000000 
1 1 1   33   15    2 o  218.955   44.276   0.9491   0.3738   0.8073   0.3973   2.0417   1.1026  171.512   44.629  266.399   76.484 -94.88745 88.55247 
1 1 1   33   15    4 o  352.932   53.510   4.1375   0.7473   4.4776   0.8215   2.5061   1.7992  412.684   38.717  293.181   99.771 119.5032 107.0197 
1 1 1   33   15    6 o  293.130   46.050   2.1000   0.5525   1.9225   0.6079   2.9419   1.3239  269.488   43.878  316.772   80.977 -47.28433 92.10094 
1 1 1   33   15    8 o  284.943   58.452   2.3340   0.9669   3.4107   1.3683   1.2605   1.3663  341.660   79.408  228.225   85.795 113.4345 116.9034 
1 1 1   33   15   10 o  400.577   46.626   4.2715   0.9603   4.2715   0.9603   0.0000   0.0000  400.577   46.626  ?   ?       ?      ? 
1 1 1   33   15   12 o  241.221   50.105   1.3793   0.5179   1.2411   0.5619   2.1589   1.3347  210.914   52.117  271.528   85.592 -60.61420 100.2107 
1 1 1   33   15   14 o  528.705   46.295   7.1330   1.0671   6.6355   1.2059   8.9295   2.2916  498.452   47.055  558.959   79.741 -60.50690 92.58970 
1 1 1   33   15   16 o  179.191   47.352   0.8898   0.4428   0.8898   0.4428   0.0000   0.0000  179.191   47.352  ?   ?       ?      ? 
1 1 1   33   15   18 o  256.115   56.806   1.9136   0.8160   1.9255   1.0239   1.8928   1.3509  256.649   73.711  255.580   86.454 1.069458 113.6116 
1 1 1   33   15   20 o  224.779   47.192   1.4808   0.4788   1.5552   0.5118   0.9589   1.3557  238.137   43.405  211.422   83.811 26.71454 94.38329 
1 1 1   33   15   22 o  387.849   50.261   3.7767   0.7136   3.5258   0.7705   5.2901   1.8920  363.719   41.206  411.980   91.689 -48.26163 100.5223 
1 1 1   33   15   24 o  383.958   57.778   4.4786   0.8793   4.5026   0.9692   4.3672   2.0908  408.434   46.155  359.482  105.938 48.95172 115.5558 
1 1 1   33   15   26 o  160.605   45.982   0.7179   0.3990   0.7179   0.3990   0.0000   0.0000  160.605   45.982  ?   ?       ?      ? 
1 1 1   33   15   28 o  212.548   52.687   1.3538   0.7447   1.7400   0.8443   0.0000   1.5807  241.304   66.102  183.792   82.063 57.51175 105.3740 
1 1 1   33   15   30 o  171.360   44.861   0.4354   0.3248   0.3382   0.3393   1.5001   1.1230  119.450   43.119  223.271   78.680 -103.8210 89.72105 
1 1 1   33   15   32 o  165.971   40.031   0.7943   0.3468   0.8833   0.3657   0.0000   1.0925  176.963   40.997  154.979   68.769 21.98463 80.06179 
1 1 1   33   15   34 o  177.603   41.258   0.6319   0.3165   0.5061   0.3381   1.5207   0.8990  135.529   43.119  219.676   70.353 -84.14700 82.51508 
1 1 1   33   15   36 f  186.857   45.075   1.0173   0.4603   1.0153   0.5145   1.0255   1.0302  184.513   52.003  189.202   73.639 -4.688812 90.15002 
1 1 1   33   16    1 o  191.429   51.240   0.8080   0.6917   0.7967   0.9616   0.8201   0.9957  190.019   71.855  192.839   73.069 -2.819290 102.4800 
1 1 1   33   16    3 o  249.674   47.553   1.5120   0.4581   1.4278   0.4890   2.1170   1.3110  228.915   43.129  270.434   84.765 -41.51891 95.10616 
1 1 1   33   16    5 o  340.848   46.051   2.4340   0.6055   2.0495   0.6542   4.7359   1.6005  277.790   45.803  403.906   79.905 -126.1164 92.10147 
1 1 1   33   16    7 o  804.859   45.048   16.597   1.6340   15.434   1.8754   20.263   3.3291  760.865   47.941  848.854   76.282 -87.98834 90.09631 
1 1 1   33   16    9 o  443.173   58.911   5.7405   1.3200   2.3681   1.7737   9.9265   1.9761  284.973   98.980  601.373   63.914 -316.4010 117.8215 
1 1 1   33   16   11 o  131.917   46.108   0.4193   0.3852   0.4193   0.3852   0.0000   0.0000  131.917   46.108  ?   ?       ?      ? 
1 1 1   33   16   13 o  268.435   50.428   1.5630   0.5591   1.2734   0.6082   3.1440   1.4210  212.972   55.121  323.898   84.460 -110.9265 100.8550 
1 1 1   33   16   15 o  164.267   44.708   0.5400   0.3894   0.5497   0.4137   0.4647   1.1534  145.514   47.812  183.021   75.558 -37.50681 89.41520 
1 1 1   33   16   17 o  207.985   44.936   1.2995   0.4742   1.4438   0.5142   0.4793   1.2261  228.903   45.298  187.066   77.621 41.83728 89.87118 
1 1 1   33   16   19 o  198.039   43.841   1.1579   0.4886   1.3536   0.5554   0.4880   1.0278  219.887   50.233  176.191   71.867 43.69565 87.68240 
1 1 1   33   16   21 o  193.286   49.206   0.7354   0.4556   0.6261   0.4878   1.4815   1.2744  154.902   51.956  231.671   83.578 -76.76862 98.41132 
1 1 1   33   16   23 o  344.659   46.661   3.2081   0.8268   3.2081   0.8268   0.0000   0.0000  344.659   46.661  ?   ?       ?      ? 
1 1 1   33   16   25 o  302.743   41.118   2.4570   0.6400   2.4570   0.6400   0.0000   0.0000  302.743   41.118  ?   ?       ?      ? 
1 1 1   33   16   27 o  224.785   44.795   1.4103   0.4400   1.3930   0.4789   1.5041   1.1155  223.748   43.192  225.823   78.492 -2.075134 89.59081 
1 1 1   33   16   29 o  201.868   44.136   0.7881   0.3771   0.6001   0.4045   2.0342   1.0415  148.096   47.169  255.640   74.612 -107.5439 88.27122 
1 1 1   33   16   31 o  236.609   50.326   1.4559   0.4490   1.3983   0.4698   2.0636   1.5258  223.296   42.471  249.923   91.253 -26.62782 100.6523 
1 1 1   33   16   33 o  230.394   45.187   1.5574   0.4488   1.5585   0.4828   1.5503   1.2168  239.206   39.257  221.581   81.403 17.62532 90.37417 
1 1 1   33   16   35 o  329.529   48.730   2.9826   0.6142   2.7647   0.6676   4.1838   1.5675  316.424   41.039  342.633   88.397 -26.20874 97.45926 
1 1 1   33   17    0 o  149.519   84.681   0.8279   1.0039   0.0000   0.0000   0.8279   1.0039  149.519   84.681  149.519   84.681 -0.000000 0.000000 
1 1 1   33   17    2 o  362.485   62.315   3.8802   1.1931   2.4203   1.6289   5.5699   1.7524  286.922   94.902  438.048   80.786 -151.1259 124.6305 
1 1 1   33   17    4 o  193.915   45.108   0.9181   0.3720   0.9225   0.3911   0.8762   1.2059  183.285   42.357  204.545   79.654 -21.25960 90.21597 
1 1 1   33   17    6 o  167.204   43.154   0.6192   0.3377   0.6367   0.3540   0.4420   1.1252  152.911   43.150  181.497   74.747 -28.58632 86.30792 
1 1 1   33   17    8 o  154.812   40.800   0.3955   0.3423   0.2996   0.3743   0.8843   0.8451  120.346   44.973  189.278   68.088 -68.93240 81.59940 
1 1 1   33   17   10 o  378.509   48.148   3.8309   0.9370   3.8309   0.9370   0.0000   0.0000  378.509   48.148  ?   ?       ?      ? 
1 1 1   33   17   12 o  252.988   51.665   1.7790   0.6493   1.7790   0.6493   0.0000   0.0000  252.988   51.665  ?   ?       ?      ? 
1 1 1   33   17   14 o  269.962   50.691   2.2614   0.6649   2.4727   0.7421   1.4014   1.4973  303.877   47.502  236.047   89.565 67.82982 101.3821 
1 1 1   33   17   16 o  405.351   44.848   3.6232   0.7313   3.1412   0.7950   6.2756   1.8648  342.922   45.091  467.780   77.539 -124.8578 89.69666 
1 1 1   33   17   18 o  235.772   53.183   1.4239   0.6236   1.2787   0.6999   1.9833   1.3734  212.154   60.944  259.390   87.175 -47.23590 106.3655 
1 1 1   33   17   20 o  236.450   48.327   0.9779   0.4982   0.6243   0.5397   3.0167   1.2957  156.975   54.593  315.925   79.761 -158.9499 96.65479 
1 1 1   33   17   22 o  289.934   75.894   2.5343   1.1445   2.5343   1.1445   0.0000   0.0000  289.934   75.894  ?   ?       ?      ? 
1 1 1   33   17   24 o  218.560   44.328   1.4940   0.4422   1.6112   0.4678   0.5094   1.3557  246.170   36.959  190.951   80.585 55.21945 88.65566 
1 1 1   33   17   26 o  481.223   56.874   7.2250   0.9202   7.3155   0.9958   6.6963   2.4077  523.704   36.985  438.743  107.567 84.96115 113.7482 
1 1 1   33   17   28 o  243.055   49.067   1.8226   0.5823   1.8924   0.6528   1.5510   1.2883  257.640   51.090  228.470   83.785 29.17041 98.13331 
1 1 1   33   17   30 o  213.020   46.509   1.3316   0.4367   1.3645   0.4614   1.0488   1.3517  220.751   42.191  205.290   82.899 15.46190 93.01778 
1 1 1   33   17   32 o  212.209   46.955   0.7344   0.3610   0.5629   0.3768   2.6613   1.2628  142.681   45.529  281.737   82.136 -139.0552 93.91023 
1 1 1   33   17   34 o  246.930   50.628   1.8178   0.5228   1.7752   0.5570   2.1321   1.5142  249.219   45.133  244.641   90.640 4.578598 101.2551 
1 1 1   33   18    1 o  281.132   62.574   2.3255   1.0105   2.5093   1.4449   2.1496   1.4137  290.543   88.645  271.721   88.342 18.82233 125.1488 
1 1 1   33   18    3 o  140.177   40.490   0.2040   0.4666   0.0000   0.6348   0.4437   0.6881  125.972   54.211  154.383   60.156 -28.41117 80.97912 
1 1 1   33   18    5 o  194.988   47.367   1.0530   0.4701   1.0530   0.4701   0.0000   0.0000  194.988   47.367  ?   ?       ?      ? 
1 1 1   33   18    7 o  252.887   48.337   1.9418   0.6006   2.1148   0.6841   1.3601   1.2542  277.241   49.829  228.532   82.843 48.70877 96.67442 
1 1 1   33   18    9 o  380.964   45.400   3.2738   0.7666   2.5578   0.8649   5.8973   1.6556  302.398   57.740  459.530   70.076 -157.1314 90.79945 
1 1 1   33   18   11 o  557.895   46.095   8.3084   1.3221   8.3084   1.3221   0.0000   0.0000  557.895   46.095  ?   ?       ?      ? 
1 1 1   33   18   13 o  323.663   53.615   2.6295   0.7000   2.4136   0.7639   3.7603   1.7484  299.623   49.591  347.704   95.073 -48.08047 107.2291 
1 1 1   33   18   15 o  289.351   53.290   2.5612   0.6994   2.6926   0.7701   1.9419   1.6715  316.857   47.270  261.845   95.525 55.01205 106.5809 
1 1 1   33   18   17 f  228.808   50.787   1.2411   0.5268   1.0986   0.5740   2.0023   1.3262  197.589   54.659  260.028   85.615 -62.43896 101.5747 
1 1 1   33   18   19 o  259.809   77.458   2.0124   1.1126   2.0124   1.1126   0.0000   0.0000  259.809   77.458  ?   ?       ?      ? 
1 1 1   33   18   21 o  195.944   46.024   1.0735   0.4558   1.0735   0.4558   0.0000   0.0000  195.944   46.024  ?   ?       ?      ? 
1 1 1   33   18   23 o  437.717   50.024   4.5631   0.7639   4.1834   0.8157   7.2723   2.1789  395.542   40.112  479.892   91.656 -84.35010 100.0489 
1 1 1   33   18   25 o  206.446   41.483   1.4063   0.4408   1.6044   0.4708   0.0000   1.2546  245.208   37.348  167.683   74.085 77.52496 82.96625 
1 1 1   33   18   27 o  232.432   46.187   1.3068   0.4236   1.1911   0.4526   2.1235   1.2022  205.867   44.092  258.997   81.172 -53.13019 92.37392 
1 1 1   33   18   29 o  288.266   54.387   2.8591   0.9361   4.0215   1.2018   1.0661   1.4926  366.324   66.248  210.208   86.273 156.1166 108.7743 
1 1 1   33   18   31 o  272.542   49.784   2.0358   0.5152   1.9473   0.5483   2.7038   1.5064  267.489   39.870  277.594   91.236 -10.10513 99.56763 
1 1 1   33   18   33 o  313.012   52.208   2.7205   0.5918   2.5692   0.6304   3.8438   1.7174  306.066   40.062  319.957   96.425 -13.89084 104.4161 
1 1 1   33   19    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   19    2 o  322.180   89.722   3.1412   1.5411   0.0000   0.0000   3.1412   1.5411  ?   ?   322.180   89.722      ?      ? 
1 1 1   33   19    4 o  254.507   87.038   1.8350   1.3693   0.0000   0.0000   1.8350   1.3693  ?   ?   254.507   87.038      ?      ? 
1 1 1   33   19    6 o  346.495   47.316   2.5311   0.6339   2.0906   0.6859   5.1060   1.6584  275.332   50.311  417.657   80.149 -142.3253 94.63107 
1 1 1   33   19    8 o  371.749   50.970   3.8260   0.8232   3.7136   0.9439   4.1830   1.6820  372.051   49.347  371.446   89.199 0.6045837 101.9391 
1 1 1   33   19   10 o  309.288   85.117   2.8818   1.3961   2.8818   1.3961   0.0000   0.0000  309.288   85.117  ?   ?       ?      ? 
1 1 1   33   19   12 o  386.146   47.663   3.9974   0.9462   3.9974   0.9462   0.0000   0.0000  386.146   47.663  ?   ?       ?      ? 
1 1 1   33   19   14 o  175.232   47.892   0.5421   0.4654   0.4674   0.5038   0.9761   1.2151  143.174   52.414  207.290   80.171 -64.11600 95.78406 
1 1 1   33   19   16 f  320.417   56.310   2.7693   0.8576   2.2765   1.0114   4.0306   1.6179  278.591   70.541  362.243   87.791 -83.65195 112.6202 
1 1 1   33   19   18 o  206.799   48.730   1.1985   0.5096   1.1985   0.5096   0.0000   0.0000  206.799   48.730  ?   ?       ?      ? 
1 1 1   33   19   20 o  260.553   50.918   2.1871   0.6937   2.4725   0.7761   1.0530   1.5469  301.527   50.066  219.578   88.678 81.94923 101.8352 
1 1 1   33   19   22 o  298.261   52.724   2.8441   0.6136   2.9399   0.6536   2.1313   1.7823  332.169   38.271  264.353   98.259 67.81662 105.4489 
1 1 1   33   19   24 o  250.397   46.637   2.1965   0.5404   2.4199   0.5756   0.5343   1.5700  301.233   37.164  199.561   85.551 101.6719 93.27486 
1 1 1   33   19   26 o  216.816   46.983   0.9791   0.3936   0.8432   0.4156   2.1593   1.2245  172.682   45.992  260.951   81.942 -88.26813 93.96661 
1 1 1   33   19   28 o  172.114   44.299   0.7806   0.4634   0.8440   0.5226   0.5473   1.0028  172.237   53.442  171.991   70.666 0.2461700 88.59834 
1 1 1   33   19   30 o  143.258   41.482   0.3156   0.3682   0.2751   0.3988   0.5495   0.9586  118.027   45.850  168.489   69.143 -50.46213 82.96330 
1 1 1   33   19   32 o  220.613   49.530   0.8841   0.3713   0.7447   0.3846   2.7880   1.4219  161.066   44.809  280.159   88.347 -119.0927 99.06078 
1 1 1   33   20    1 o  475.698   66.636   6.8531   1.5709   6.1355   2.1658   7.6498   2.2821  446.619   97.090  504.777   91.297 -58.15768 133.2726 
1 1 1   33   20    3 o  407.220   67.264   5.0972   1.3826   5.0878   1.9349   5.1070   1.9762  407.435   94.246  407.005   95.998 0.4302063 134.5287 
1 1 1   33   20    5 o  168.570   68.720   0.4138   0.9391   0.4138   0.9391   0.0000   0.0000  168.570   68.720  ?   ?       ?      ? 
1 1 1   33   20    7 o  451.636   49.376   5.4771   1.1465   5.4771   1.1465   0.0000   0.0000  451.636   49.376  ?   ?       ?      ? 
1 1 1   33   20    9 o  464.920   48.164   5.7970   1.1513   5.7970   1.1513   0.0000   0.0000  464.920   48.164  ?   ?       ?      ? 
1 1 1   33   20   11 o  200.322   58.494   1.1257   0.6400   1.1257   0.6400   0.0000   0.0000  200.322   58.494  ?   ?       ?      ? 
1 1 1   33   20   13 f  176.869   56.985   0.8467   0.5891   0.8467   0.5891   0.0000   0.0000  176.869   56.985  ?   ?       ?      ? 
1 1 1   33   20   15 o  269.312   64.020   2.0936   0.8734   2.0936   0.8734   0.0000   0.0000  269.312   64.020  ?   ?       ?      ? 
1 1 1   33   20   17 o  396.823   42.076   4.2044   0.8584   4.2044   0.8584   0.0000   0.0000  396.823   42.076  ?   ?       ?      ? 
1 1 1   33   20   19 o  329.316   56.436   3.4769   0.8843   3.7391   1.0184   2.6734   1.7829  369.237   53.649  289.396   99.308 79.84073 112.8727 
1 1 1   33   20   21 o  212.287   45.192   1.4705   0.5401   1.7507   0.5893   0.0000   1.3501  250.454   47.502  174.119   76.895 76.33444 90.38378 
1 1 1   33   20   23 o  401.960   51.195   4.0191   0.7079   3.7416   0.7551   6.0326   2.0340  373.783   39.292  430.136   94.552 -56.35306 102.3909 
1 1 1   33   20   25 o  290.866   51.880   2.9344   0.6020   3.0872   0.6367   1.6492   1.8466  339.951   36.432  241.781   97.153 98.16928 103.7590 
1 1 1   33   20   27 o  279.148   48.052   2.3714   0.5448   2.3977   0.5913   2.2236   1.4006  298.305   38.557  259.991   88.030 38.31384 96.10398 
1 1 1   33   20   29 o  201.921   44.380   0.7946   0.4474   0.4429   0.4992   2.2317   1.0090  137.996   51.861  265.845   72.033 -127.8496 88.75997 
1 1 1   33   20   31 o  197.253   44.727   1.0811   0.3917   1.0747   0.4152   1.1329   1.1801  194.171   42.748  200.334   78.579 -6.162109 89.45448 
1 1 1   33   20   33 o  193.753   48.415   0.6412   0.4208   0.4328   0.4464   2.3000   1.2593  132.604   49.198  254.902   83.401 -122.2981 96.83070 
1 1 1   33   21    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   21    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   21    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   21    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   21    8 o  291.430   50.268   2.0914   0.7275   1.3108   0.8701   3.9044   1.3261  216.211   69.213  366.648   72.917 -150.4376 100.5351 
1 1 1   33   21   10 o  285.558   55.422   2.0617   0.7568   1.6147   0.8723   3.4218   1.5217  236.617   68.061  334.498   87.487 -97.88142 110.8432 
1 1 1   33   21   12 o   96.733   38.515   0.1358   0.2875   0.1358   0.2875   0.0000   0.0000   96.733   38.515  ?   ?       ?      ? 
1 1 1   33   21   14 o  194.725   51.279   1.0653   0.5205   1.0653   0.5205   0.0000   0.0000  194.725   51.279  ?   ?       ?      ? 
1 1 1   33   21   16 o  413.005   53.518   4.5798   0.8901   4.3004   0.9886   5.7765   2.0461  398.895   48.204  427.116   95.567 -28.22110 107.0354 
1 1 1   33   21   18 o  589.680   49.912   9.4438   1.1217   9.1789   1.2259   10.806   2.7797  586.280   40.672  593.079   91.163 -6.798889 99.82449 
1 1 1   33   21   20 o  323.126   56.906   2.9131   0.8096   2.6642   0.9103   3.8546   1.7707  304.102   60.356  342.150   96.489 -38.04791 113.8114 
1 1 1   33   21   22 f  198.364   48.225   0.8245   0.4273   0.7088   0.4555   1.6732   1.2337  160.250   49.919  236.479   82.527 -76.22832 96.44970 
1 1 1   33   21   24 o  206.583   45.414   1.2942   0.4358   1.3771   0.4597   0.5600   1.3680  222.685   41.687  190.482   80.698 32.20279 90.82896 
1 1 1   33   21   26 o  174.565   46.600   0.5890   0.3486   0.5458   0.3622   1.1313   1.2847  141.290   44.593  207.840   81.840 -66.54965 93.20054 
1 1 1   33   21   28 o  216.408   46.531   1.3852   0.4334   1.4122   0.4571   1.1451   1.3630  224.792   41.066  208.024   83.510 16.76823 93.06104 
1 1 1   33   21   30 o  295.198   51.076   2.4549   0.6439   2.2190   0.7161   3.4505   1.4711  275.831   52.413  314.565   87.681 -38.73459 102.1524 
1 1 1   33   21   32 o  171.113   43.999   0.6708   0.3734   0.5957   0.4006   1.1678   1.0306  145.437   47.003  196.790   74.392 -51.35265 87.99704 
1 1 1   33   22    1 o  207.666   55.684   1.0040   0.8382   1.3755   1.0917   0.4703   1.3084  224.207   77.666  191.125   79.817 33.08185 111.3678 
1 1 1   33   22    3 o  283.460   91.464   2.4257   1.5173   0.0000   0.0000   2.4257   1.5173  ?   ?   283.460   91.464      ?      ? 
1 1 1   33   22    5 o  265.487   63.463   2.0679   1.0278   2.1683   1.5036   1.9799   1.4081  270.494   91.212  260.479   88.264 10.01529 126.9260 
1 1 1   33   22    7 f  268.005   56.192   1.9498   0.7293   1.7931   0.8271   2.4968   1.5456  249.653   64.108  286.357   92.306 -36.70433 112.3841 
1 1 1   33   22    9 o  193.591   46.220   1.0722   0.5107   1.2591   0.5535   0.0000   1.3253  211.794   51.358  175.388   76.861 36.40617 92.44057 
1 1 1   33   22   11 o  542.266   67.908   9.6052   1.7401   11.827   2.2828   6.5241   2.6884  647.619   68.562  436.913  117.241 210.7053 135.8168 
1 1 1   33   22   13 o  180.902   49.962   0.9145   0.4800   0.9145   0.4800   0.0000   0.0000  180.902   49.962  ?   ?       ?      ? 
1 1 1   33   22   15 o  324.010   54.192   3.3119   0.7600   3.4695   0.8443   2.6389   1.7451  359.029   45.740  288.991   98.259 70.03778 108.3836 
1 1 1   33   22   17 o  294.919   52.173   2.4613   0.6712   2.4020   0.7445   2.7191   1.5513  297.403   48.691  292.435   92.289 4.968811 104.3458 
1 1 1   33   22   19 o  337.404   60.291   3.5791   0.9411   3.6408   1.0608   3.3509   2.0398  361.681   57.046  313.127  106.234 48.55319 120.5814 
1 1 1   33   22   21 o  304.371   48.818   1.7899   0.5113   1.4885   0.5386   4.5345   1.6253  230.123   47.111  378.619   85.517 -148.4960 97.63535 
1 1 1   33   22   23 o  194.262   47.740   0.7121   0.3495   0.6342   0.3627   1.7214   1.3060  150.980   44.020  237.544   84.726 -86.56348 95.47968 
1 1 1   33   22   25 o  190.583   44.827   1.0215   0.3969   1.0675   0.4168   0.5760   1.2978  194.708   42.807  186.459   78.775 8.249283 89.65478 
1 1 1   33   22   27 o  273.435   46.144   2.9092   0.6218   3.3488   0.6780   0.5821   1.5600  352.292   37.434  194.578   84.354 157.7137 92.28722 
1 1 1   33   22   29 o  285.334   51.417   3.0754   0.7809   3.5483   0.8729   1.1797   1.7476  355.941   47.700  214.727   91.103 141.2140 102.8348 
1 1 1   33   22   31 o  199.352   48.726   1.2794   0.6155   1.5017   0.7082   0.5927   1.2445  220.351   60.617  178.354   76.306 41.99731 97.45286 
1 1 1   33   23    0 o  818.596   86.065   18.977   3.5305   18.977   3.5305   0.0000   0.0000  818.596   86.065  818.596   86.065 0.000000 0.000000 
1 1 1   33   23    2 o  255.270   59.159   1.9065   0.8955   1.8556   1.2439   1.9612   1.2902  252.272   82.906  258.267   84.414 -5.994934 118.3181 
1 1 1   33   23    4 o  202.712   54.272   0.8518   0.7705   0.4488   0.9802   1.5030   1.2462  171.900   70.159  233.524   82.823 -61.62393 108.5449 
1 1 1   33   23    6 o  162.105   48.111   0.2715   0.6702   0.4328   0.8461   0.0000   1.0981  162.935   65.660  161.275   70.337 1.660568 96.22170 
1 1 1   33   23    8 o  280.946   54.349   2.3987   0.7340   2.4970   0.8304   2.0477   1.5693  298.045   56.255  263.847   93.008 34.19846 108.6977 
1 1 1   33   23   10 o  185.435   46.528   0.6070   0.4191   0.4543   0.4522   1.5385   1.1167  138.603   49.810  232.268   78.603 -93.66513 93.05615 
1 1 1   33   23   12 o  209.633   53.425   1.2444   0.5775   1.2444   0.5775   0.0000   0.0000  209.633   53.425  ?   ?       ?      ? 
1 1 1   33   23   14 o  287.713   47.734   1.8899   0.6003   1.4248   0.6725   3.7152   1.3322  222.856   58.098  352.571   75.754 -129.7148 95.46753 
1 1 1   33   23   16 o  270.260   50.027   1.8913   0.5855   1.6983   0.6491   2.7336   1.3560  244.672   53.127  295.847   84.785 -51.17480 100.0546 
1 1 1   33   23   18 o  211.447   50.987   1.2623   0.6219   1.3092   0.7205   1.1251   1.2316  212.376   62.075  210.517   80.905 1.858383 101.9747 
1 1 1   33   23   20 o  166.997   45.041   0.6215   0.4319   0.6297   0.4688   0.5752   1.1104  153.340   50.922  180.654   74.309 -27.31323 90.08283 
1 1 1   33   23   22 o  432.697   56.511   5.7252   0.9964   5.6960   1.1245   5.8322   2.1498  455.332   48.037  410.063  102.307 45.26895 113.0229 
1 1 1   33   23   24 o  344.180   53.298   3.3476   0.6445   3.2392   0.6875   4.1326   1.8504  346.731   38.568  341.628   99.375 5.103058 106.5969 
1 1 1   33   23   26 o  194.821   45.758   1.1483   0.4203   1.2332   0.4355   0.0000   1.6016  209.423   41.912  180.218   81.356 29.20511 91.51686 
1 1 1   33   23   28 o  175.791   40.550   0.9634   0.3860   1.0912   0.4108   0.0000   1.1279  196.124   42.006  155.458   69.373 40.66600 81.09921 
1 1 1   33   23   30 o  146.056   45.290   0.6047   0.3754   0.6047   0.3754   0.0000   0.0000  146.056   45.290  ?   ?       ?      ? 
1 1 1   33   24    1 o  362.887   65.998   4.1402   1.2370   4.3119   1.6622   3.9272   1.8520  375.083   87.754  350.690   98.600 24.39307 131.9953 
1 1 1   33   24    3 o  371.331   64.051   4.3705   1.2469   5.5701   1.7189   3.0381   1.8115  433.223   80.127  309.440   99.948 123.7831 128.1017 
1 1 1   33   24    5 o  422.612   65.537   5.8364   1.4662   8.1662   1.9952   3.1008   2.1619  535.087   72.524  310.137  109.182 224.9509 131.0742 
1 1 1   33   24    7 o  492.244   65.656   7.3055   1.6180   6.1088   2.1427   8.8931   2.4679  439.465   97.395  545.023   88.074 -105.5581 131.3124 
1 1 1   33   24    9 o  176.725   45.696   0.7541   0.4465   0.7945   0.4841   0.5247   1.1546  169.722   51.208  183.729   75.698 -14.00635 91.39153 
1 1 1   33   24   11 o  224.266   50.129   1.4614   0.5669   1.5419   0.6201   1.0520   1.3991  233.481   52.885  215.052   85.176 18.42868 100.2581 
1 1 1   33   24   13 o  217.887   56.597   1.3595   0.6397   1.3595   0.6397   0.0000   0.0000  217.887   56.597  ?   ?       ?      ? 
1 1 1   33   24   15 o  151.096   42.868   0.3718   0.3412   0.3519   0.3598   0.5495   1.0747  122.963   44.404  179.230   73.341 -56.26629 85.73591 
1 1 1   33   24   17 o  165.793   43.897   0.4695   0.3622   0.3749   0.3872   1.1317   1.0243  126.799   46.019  204.786   74.767 -77.98628 87.79472 
1 1 1   33   24   19 o  203.483   47.341   1.1005   0.4541   1.0909   0.4878   1.1626   1.2428  195.942   48.648  211.025   81.229 -15.08299 94.68207 
1 1 1   33   24   21 o  190.951   41.641   1.1589   0.3992   1.2926   0.4216   0.0000   1.2411  216.320   39.360  165.582   73.395 50.73727 83.28255 
1 1 1   33   24   23 o  190.536   49.523   0.8600   0.4817   0.8095   0.5163   1.1999   1.3398  169.182   53.220  211.890   83.533 -42.70825 99.04600 
1 1 1   33   24   25 o  162.197   42.391   0.6684   0.3343   0.7173   0.3463   0.0000   1.2800  159.270   41.772  165.123   73.777 -5.853195 84.78211 
1 1 1   33   24   27 o  264.961   59.474   2.1395   0.8028   1.8719   0.9136   3.0470   1.6824  243.111   69.568  286.812   96.482 -43.70103 118.9475 
1 1 1   33   24   29 o  248.722   67.573   1.9753   0.8865   1.9753   0.8865   0.0000   0.0000  248.722   67.573  ?   ?       ?      ? 
1 1 1   33   25    0 o  216.385  106.801   1.9807   1.4242   1.9807   1.4242   0.0000   0.0000  216.385  106.801  216.385  106.801 0.000000 0.000000 
1 1 1   33   25    2 o  361.119   68.568   4.1969   1.3135   4.7929   1.8234   3.5539   1.8938  391.511   92.122  330.727  101.587 60.78455 137.1362 
1 1 1   33   25    4 o  248.742   55.622   1.7596   0.8452   0.9382   1.1839   2.6135   1.2070  203.044   78.965  294.440   78.358 -91.39627 111.2450 
1 1 1   33   25    6 o  306.416   65.674   2.8474   1.1155   2.2628   1.4390   3.7280   1.7660  272.079   89.160  340.752   96.453 -68.67267 131.3489 
1 1 1   33   25    8 o  375.641   54.097   3.1341   0.9218   2.0744   1.0413   6.9733   1.9819  263.696   73.861  487.586   79.060 -223.8904 108.1942 
1 1 1   33   25   10 o  180.694   47.529   0.7805   0.4814   0.8215   0.5204   0.5377   1.2674  172.411   53.305  188.977   78.706 -16.56543 95.05824 
1 1 1   33   25   12 o  209.537   53.584   1.1686   0.7742   1.6063   1.0083   0.5399   1.2083  233.384   74.482  185.689   77.053 47.69446 107.1671 
1 1 1   33   25   14 o  218.397   48.129   1.0350   0.4948   0.7755   0.5466   2.2111   1.1639  168.559   54.940  268.234   79.038 -99.67511 96.25712 
1 1 1   33   25   16 o  151.305   41.492   0.5086   0.3823   0.5881   0.4111   0.0000   1.0400  147.743   47.605  154.867   67.972 -7.123749 82.98411 
1 1 1   33   25   18 o  229.482   52.565   1.5659   0.6007   1.6294   0.6472   1.1702   1.6151  237.891   54.133  221.073   90.123 16.81821 105.1305 
1 1 1   33   25   20 o  277.560   48.894   1.6032   0.6100   0.9916   0.6780   4.2015   1.3974  186.596   61.202  368.523   76.269 -181.9264 97.78888 
1 1 1   33   25   22 o  158.538   40.401   0.6669   0.3432   0.7422   0.3620   0.0000   1.0772  162.160   42.799  154.917   68.536 7.242722 80.80211 
1 1 1   33   25   24 o  166.410   42.537   0.6805   0.3439   0.6876   0.3629   0.6171   1.0786  155.859   43.583  176.962   73.063 -21.10356 85.07449 
1 1 1   33   25   26 o  229.665   51.166   1.5069   0.5287   1.4545   0.5665   1.8602   1.4711  223.172   50.550  236.157   88.974 -12.98512 102.3314 
1 1 1   33   25   28 o  174.037   43.730   0.8740   0.3908   0.8740   0.3908   0.0000   0.0000  174.037   43.730  ?   ?       ?      ? 
1 1 1   33   26    1 o  364.773   67.066   4.2694   1.3065   5.5007   1.8603   3.0713   1.8352  421.647   88.630  307.900  100.678 113.7469 134.1317 
1 1 1   33   26    3 o  311.865   63.917   2.9815   1.1263   1.9388   1.5274   4.2243   1.6675  256.223   91.604  367.507   89.163 -111.2844 127.8337 
1 1 1   33   26    5 o  218.898   56.537   1.2985   0.8184   1.4218   1.0220   1.0781   1.3663  223.100   75.198  214.697   84.445 8.403824 113.0735 
1 1 1   33   26    7 o  204.937   54.521   0.9214   0.7822   0.4562   1.0033   1.6424   1.2491  171.979   70.675  237.894   83.037 -65.91559 109.0423 
1 1 1   33   26    9 o  174.635   44.651   0.6564   0.4463   0.5291   0.5064   1.0997   0.9450  147.247   52.733  202.022   72.071 -54.77502 89.30258 
1 1 1   33   26   11 o  337.498   55.494   3.2219   0.8136   3.0568   0.9129   3.8590   1.7934  333.183   53.295  341.813   97.355 -8.630188 110.9878 
1 1 1   33   26   13 o  181.845   46.935   0.8399   0.4852   0.8940   0.5292   0.5545   1.2148  178.199   53.488  185.490   77.140 -7.290939 93.86971 
1 1 1   33   26   15 o  209.011   48.740   0.7987   0.4678   0.5508   0.5053   2.2864   1.2379  148.255   52.722  269.768   81.992 -121.5129 97.48004 
1 1 1   33   26   17 o  171.457   45.400   0.5539   0.4048   0.4514   0.4369   1.1763   1.0768  136.151   48.957  206.762   76.470 -70.61110 90.79906 
1 1 1   33   26   19 o  252.167   52.139   1.4716   0.5632   1.1912   0.6121   3.0222   1.4391  202.029   56.642  302.305   87.552 -100.2762 104.2771 
1 1 1   33   26   21 o  318.582   47.791   2.3514   0.5692   2.0496   0.6112   4.3247   1.5629  273.867   43.409  363.297   85.157 -89.42990 95.58209 
1 1 1   33   26   23 f  319.157   59.390   2.6718   0.9210   1.6959   1.0617   5.6401   1.8515  231.122   76.624  407.192   90.761 -176.0703 118.7809 
1 1 1   33   26   25 o  168.545   47.818   0.8208   0.4335   0.8208   0.4335   0.0000   0.0000  168.545   47.818  ?   ?       ?      ? 
1 1 1   33   26   27 o  349.913   54.857   3.7635   0.6961   3.6578   0.7469   4.4639   1.9218  364.749   39.826  335.076  102.231 29.67273 109.7149 
1 1 1   33   27    0 o  496.301  104.369   7.7448   2.3447   0.0000   0.0000   7.7448   2.3447  496.301  104.369  496.301  104.369 -0.000000 0.000000 
1 1 1   33   27    2 o  177.113   51.382   0.5114   0.7337   0.5002   0.9369   0.5290   1.1796  170.149   68.908  184.077   76.238 -13.92776 102.7646 
1 1 1   33   27    4 o  212.005   53.820   0.9164   0.8106   0.0000   1.0648   2.1792   1.2500  157.521   68.966  266.489   82.644 -108.9681 107.6399 
1 1 1   33   27    6 o  191.811   51.756   0.5928   0.7197   0.0000   0.8967   1.6663   1.2066  145.769   63.568  237.854   81.693 -92.08456 103.5117 
1 1 1   33   27    8 o  245.739   50.729   1.1548   0.6119   0.6030   0.6839   3.3689   1.3699  161.573   60.707  329.906   81.293 -168.3336 101.4587 
1 1 1   33   27   10 o  222.010   54.497   1.0740   0.6041   0.8403   0.6613   2.2541   1.4859  176.585   60.483  267.435   90.672 -90.85051 108.9938 
1 1 1   33   27   12 o  329.405   61.431   3.1664   1.0557   2.1030   1.3156   5.0888   1.7689  259.309   85.266  399.502   88.457 -140.1935 122.8614 
1 1 1   33   27   14 o  331.188   54.388   2.8308   0.7691   2.3943   0.8586   4.6031   1.7302  286.560   60.191  375.815   90.605 -89.25473 108.7757 
1 1 1   33   27   16 o  279.669   52.838   1.9037   0.6318   1.5589   0.6950   3.5461   1.5167  230.464   58.540  328.875   87.979 -98.41150 105.6753 
1 1 1   33   27   18 f  290.332   56.120   2.2358   0.7085   1.9283   0.7819   3.6476   1.6754  254.986   60.547  325.678   94.508 -70.69212 112.2397 
1 1 1   33   27   20 o  418.948   52.640   3.9995   0.9394   2.9444   1.0388   8.7360   2.2009  311.244   66.908  526.652   81.286 -215.4076 105.2807 
1 1 1   33   27   22 o  272.108   46.285   1.2917   0.5066   0.8084   0.5439   4.4499   1.3904  168.492   54.798  375.725   74.608 -207.2324 92.56960 
1 1 1   33   27   24 o  183.428   44.826   0.9682   0.4191   0.9682   0.4191   0.0000   0.0000  183.428   44.826  ?   ?       ?      ? 
1 1 1   33   27   26 o  179.504   45.832   0.9376   0.4244   0.9376   0.4244   0.0000   0.0000  179.504   45.832  ?   ?       ?      ? 
1 1 1   33   28    1 o  187.472   51.627   0.7666   0.7183   1.0429   1.0616   0.5333   0.9756  201.742   75.668  173.203   70.256 28.53851 103.2544 
1 1 1   33   28    3 f  316.415   62.203   3.1485   1.0971   2.0224   1.5116   4.4019   1.5948  257.112   91.214  375.718   84.598 -118.6059 124.4059 
1 1 1   33   28    5 o  177.670   49.570   0.6477   0.6864   0.9890   0.8482   0.0000   1.1685  192.018   68.304  163.323   71.857 28.69542 99.14083 
1 1 1   33   28    7 o  191.969   54.363   0.7136   0.7864   0.4761   0.9792   1.1449   1.3196  170.339   69.891  213.599   83.285 -43.25958 108.7251 
1 1 1   33   28    9 o  250.208   49.300   2.1439   0.7471   2.7029   0.8389   0.0000   1.6428  312.941   52.139  187.474   83.686 125.4665 98.59933 
1 1 1   33   28   11 o  293.988   57.027   2.9329   0.8585   3.2146   0.9539   1.7328   1.9687  339.674   54.623  248.301  100.123 91.37254 114.0544 
1 1 1   33   28   13 o  207.003   53.840   0.7145   0.5391   0.4896   0.5756   2.3210   1.5386  147.114   55.600  266.891   92.215 -119.7772 107.6797 
1 1 1   33   28   15 o  182.445   56.784   0.9525   0.5895   0.9525   0.5895   0.0000   0.0000  182.445   56.784  ?   ?       ?      ? 
1 1 1   33   28   17 o  224.887   50.542   1.5566   0.5996   1.6364   0.6673   1.2218   1.3669  236.405   55.798  213.368   84.290 23.03685 101.0849 
1 1 1   33   28   19 o  193.912   47.693   1.1410   0.6107   1.4590   0.6906   0.0000   1.3081  220.947   59.479  166.877   74.570 54.06966 95.38589 
1 1 1   33   28   21 o  180.982   48.960   0.9494   0.4666   0.9494   0.4666   0.0000   0.0000  180.982   48.960  ?   ?       ?      ? 
1 1 1   33   28   23 o  151.498   49.575   0.6434   0.4449   0.6434   0.4449   0.0000   0.0000  151.498   49.575  ?   ?       ?      ? 
1 1 1   33   28   25 f  238.566   44.775   2.0860   0.5153   2.2866   0.5504   0.6629   1.4661  289.510   36.977  187.621   81.558 101.8887 89.54912 
1 1 1   33   29    0 o  502.767  106.491   8.0693   2.4210   0.0000   0.0000   8.0693   2.4210  502.767  106.491  502.767  106.491 -0.000000 0.000000 
1 1 1   33   29    2 o  251.393   52.410   1.8151   0.8868   0.0000   1.3209   3.3048   1.1966  171.556   75.895  331.229   72.299 -159.6728 104.8195 
1 1 1   33   29    4 o  247.669   61.177   1.8768   0.9619   2.0421   1.3419   1.7022   1.3795  255.974   86.170  239.363   86.864 16.61018 122.3544 
1 1 1   33   29    6 o  380.653   67.749   4.7841   1.3207   4.4359   1.7814   5.2090   1.9680  366.428   94.076  394.878   97.517 -28.44965 135.4984 
1 1 1   33   29    8 f  194.486   51.601   0.7200   0.7375   0.0000   0.9591   1.7617   1.1537  148.970   65.332  240.001   79.891 -91.03131 103.2025 
1 1 1   33   29   10 o  205.074   46.728   1.3117   0.6150   1.7281   0.7059   0.0000   1.2529  243.523   57.329  166.625   73.805 76.89781 93.45512 
1 1 1   33   29   12 o  212.871   75.082   1.3212   1.0228   1.3212   1.0228   0.0000   0.0000  212.871   75.082  ?   ?       ?      ? 
1 1 1   33   29   14 o  252.481   63.115   1.9106   0.8171   1.9106   0.8171   0.0000   0.0000  252.481   63.115  ?   ?       ?      ? 
1 1 1   33   29   16 o  221.377   53.607   1.4008   0.6865   1.2154   0.8181   1.8419   1.2619  202.577   67.269  240.177   83.483 -37.59998 107.2131 
1 1 1   33   29   18 o  116.457   48.215   0.1612   0.4716   0.1612   0.4716   0.0000   0.0000  116.457   48.215  ?   ?       ?      ? 
1 1 1   33   29   20 o  214.548   50.334   1.3426   0.5456   1.3426   0.5456   0.0000   0.0000  214.548   50.334  ?   ?       ?      ? 
1 1 1   33   29   22 o  183.372   42.877   1.0510   0.4052   1.1564   0.4250   0.0000   1.3423  201.480   42.375  165.265   74.554 36.21562 85.75484 
1 1 1   33   29   24 o  181.865   44.297   0.9648   0.4170   1.0063   0.4457   0.6727   1.1820  185.413   46.762  178.318   75.248 7.094955 88.59466 
1 1 1   33   30    1 o  494.371   69.967   8.1164   1.7415   10.325   2.5233   6.1077   2.4066  577.047   85.053  411.695  111.119 165.3524 139.9337 
1 1 1   33   30    3 o  175.480   50.387   0.4218   0.7040   0.0000   0.8876   1.1373   1.1561  143.877   62.980  207.083   78.669 -63.20645 100.7741 
1 1 1   33   30    5 o  433.397   69.673   6.2957   1.5168   5.6703   2.0711   7.0191   2.2275  408.195   99.574  458.599   97.480 -50.40482 139.3460 
1 1 1   33   30    7 o  137.056   59.884   0.0000   0.7992   0.0000   0.7992   0.0000   0.0000  137.056   59.884  ?   ?       ?      ? 
1 1 1   33   30    9 o  126.166   46.686   0.3629   0.4015   0.3629   0.4015   0.0000   0.0000  126.166   46.686  ?   ?       ?      ? 
1 1 1   33   30   11 o  216.314   74.017   1.3993   0.9903   1.3993   0.9903   0.0000   0.0000  216.314   74.017  ?   ?       ?      ? 
1 1 1   33   30   13 o  188.994   80.070   0.6074   1.3469   0.0000   0.0000   0.6074   1.3469  ?   ?   188.994   80.070      ?      ? 
1 1 1   33   30   15 f  255.794   74.679   2.0803   1.0433   2.0803   1.0433   0.0000   0.0000  255.794   74.679  ?   ?       ?      ? 
1 1 1   33   30   17 o  251.400   54.526   1.8566   0.6845   1.8566   0.6845   0.0000   0.0000  251.400   54.526  ?   ?       ?      ? 
1 1 1   33   30   19 o  130.716   41.190   0.0000   0.4711   0.0000   0.5314   0.0000   1.0180  112.469   48.995  148.964   66.228 -36.49496 82.38093 
1 1 1   33   30   21 o  240.148   46.877   2.1497   0.6763   2.5956   0.7431   0.0000   1.6317  303.384   47.642  176.911   80.746 126.4732 93.75346 
1 1 1   33   31    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   31    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   31    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   31    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   31    8 f  185.959   77.896   0.6137   1.2516   0.0000   0.0000   0.6137   1.2516  ?   ?   185.959   77.896      ?      ? 
1 1 1   33   31   10 o  184.007   52.427   0.6371   0.7024   0.3945   0.8328   1.2351   1.3076  155.829   64.255  212.186   82.859 -56.35609 104.8534 
1 1 1   33   31   12 o  244.401   56.010   1.9882   0.7775   2.1778   0.8705   1.2404   1.7290  268.143   64.027  220.660   91.919 47.48308 112.0198 
1 1 1   33   31   14 o  211.072   53.633   1.3034   0.6702   1.3188   0.7561   1.2466   1.4481  208.747   64.198  213.398   85.933 -4.650772 107.2655 
1 1 1   33   31   16 o  223.633   50.160   0.9314   0.6960   0.0000   0.8273   3.1876   1.2876  136.918   60.343  310.347   80.141 -173.4291 100.3194 
1 1 1   33   31   18 o  235.142   53.146   1.8524   0.6812   1.9742   0.7538   1.3098   1.5909  255.682   58.599  214.602   88.680 41.07950 106.2921 
1 1 1   33   31   20 o  178.960   45.098   0.8286   0.3423   0.8384   0.3529   0.6726   1.4071  171.327   40.677  186.592   80.503 -15.26422 90.19574 
1 1 1   33   32    1 o  207.298   80.436   1.1555   1.2263   0.0000   0.0000   1.1555   1.2263  ?   ?   207.298   80.436      ?      ? 
1 1 1   33   32    3 o  182.902   76.523   0.5914   1.2057   0.0000   0.0000   0.5914   1.2057  ?   ?   182.902   76.523      ?      ? 
1 1 1   33   32    5 o  208.510   55.904   1.1075   0.8443   0.5369   1.1310   1.8260   1.2690  177.266   74.135  239.755   83.696 -62.48926 111.8078 
1 1 1   33   32    7 o  174.826   50.040   0.4525   0.6923   0.0000   0.8685   1.2411   1.1466  141.016   61.998  208.637   78.562 -67.62108 100.0792 
1 1 1   33   32    9 o  422.307   73.804   6.3534   1.5776   5.5182   2.0542   7.5543   2.4632  391.384  101.301  453.229  107.359 -61.84543 147.6074 
1 1 1   33   32   11 o  281.344   57.976   2.8819   1.1267   4.3002   1.3762   0.0000   1.9618  369.249   75.052  193.439   88.386 175.8097 115.9525 
1 1 1   33   32   13 o  206.658   47.643   1.3863   0.6561   1.8654   0.7610   0.0000   1.2945  248.551   60.194  164.765   73.865 83.78545 95.28572 
1 1 1   33   32   15 o  258.912   49.058   2.2001   0.6701   2.4580   0.8420   1.7547   1.1067  286.110   59.192  231.714   78.251 54.39522 98.11694 
1 1 1   33   32   17 o  238.162   53.117   1.7687   0.6361   1.7205   0.7069   1.9742   1.4591  237.980   58.245  238.343   88.843 -0.3625336 106.2331 
1 1 1   33   32   19 o  152.808   46.634   0.2083   0.6207   0.0000   0.7462   0.6760   1.1181  129.375   57.148  176.241   73.709 -46.86603 93.26790 
1 1 1   33   33    0 o  225.531  111.582   2.3319   1.5560   2.3319   1.5560   0.0000   0.0000  225.531  111.582  225.531  111.582 0.000000 0.000000 
1 1 1   33   33    2 o  414.526   73.447   6.3018   1.6015   7.9178   2.2950   4.7680   2.2359  479.803   96.380  349.249  110.855 130.5540 146.8948 
1 1 1   33   33    4 o  223.326   57.200   1.4765   0.9039   2.2144   1.2315   0.6145   1.3310  259.322   82.267  187.330   79.494 71.99193 114.3991 
1 1 1   33   33    6 o  219.843   56.189   1.4191   0.8672   2.1379   1.1978   0.6271   1.2573  255.111   81.157  184.574   77.733 70.53726 112.3781 
1 1 1   33   33    8 o  155.145   46.593   0.2778   0.6556   0.5196   0.8965   0.0000   0.9610  163.943   67.025  146.346   64.740 17.59653 93.18609 
1 1 1   33   33   10 o  206.298   50.852   1.2571   0.6130   1.2455   0.7090   1.2914   1.2197  202.997   62.127  209.599   80.522 -6.601120 101.7035 
1 1 1   33   33   12 o  259.563   58.303   1.6553   0.7547   1.0896   0.8447   3.8953   1.6809  192.137   68.181  326.990   94.597 -134.8533 116.6068 
1 1 1   33   33   14 o  221.360   55.019   1.4273   0.6699   1.2913   0.7509   1.9570   1.4826  204.596   64.157  238.123   89.398 -33.52742 110.0373 
1 1 1   33   33   16 o  222.609   50.897   1.5022   0.6293   1.2629   0.7610   2.0197   1.1192  201.480   64.752  243.738   78.544 -42.25793 101.7937 
1 1 1   33   34    1 o  147.961   46.375   0.0000   0.6975   0.0000   1.0424   0.0000   0.9385  151.195   67.128  144.727   64.002 6.467529 92.74961 
1 1 1   33   34    3 o  213.547   52.646   1.1364   0.8076   0.0000   1.1012   2.4592   1.1880  154.517   68.779  272.577   79.724 -118.0603 105.2919 
1 1 1   33   34    5 o  224.006   59.223   1.3646   0.9468   0.5587   1.2309   2.5323   1.4816  179.737   76.366  268.275   90.541 -88.53836 118.4461 
1 1 1   33   34    7 o  251.296   61.599   1.6522   1.0046   0.5377   1.2309   3.8746   1.7383  178.537   76.124  324.055   96.865 -145.5173 123.1976 
1 1 1   33   34    9 o  538.317   72.448   10.338   1.9391   7.3077   2.5534   14.467   2.9806  422.998  114.576  653.637   88.696 -230.6386 144.8951 
1 1 1   33   34   11 o  215.540   58.159   1.3690   0.8770   0.9946   1.1114   1.9868   1.4276  191.517   75.895  239.563   88.146 -48.04605 116.3175 
1 1 1   33   34   13 o  187.113   49.963   1.0145   0.6225   1.1211   0.7112   0.6657   1.2867  191.707   62.676  182.518   77.826 9.188828 99.92526 
1 1 1   33   34   15 o  181.092   50.181   0.7753   0.5837   0.6182   0.6601   1.3388   1.2500  155.548   59.362  206.635   80.923 -51.08682 100.3614 
1 1 1   33   35    0 o  165.593   94.778   1.2129   1.2752   0.0000   0.0000   1.2129   1.2752  165.593   94.778  165.593   94.778 -0.000000 0.000000 
1 1 1   33   35    2 o  318.478   70.707   3.8523   1.3077   4.7069   1.9097   3.0977   1.7944  352.581  100.475  284.376   99.512 68.20569 141.4136 
1 1 1   33   35    4 o  136.744   42.956   0.0000   0.5628   0.0000   0.6746   0.0000   1.0208  124.813   54.763  148.674   66.196 -23.86126 85.91271 
1 1 1   33   35    6 o  135.200   42.267   0.0000   0.5722   0.0000   0.7519   0.0000   0.8821  130.627   57.550  139.773   61.919 -9.145355 84.53401 
1 1 1   33   35    8 o  280.875   66.760   3.0062   1.1516   3.2419   1.4921   2.6590   1.8110  298.906   89.833  262.844   98.780 36.06244 133.5191 
1 1 1   33   35   10 o  284.205   66.181   2.7514   1.1503   1.5739   1.4537   4.7228   1.8810  219.785   86.895  348.626   99.845 -128.8414 132.3619 
1 1 1   33   35   12 o  169.260   47.292   0.7521   0.5575   0.9010   0.6102   0.0000   1.3718  174.186   58.108  164.335   74.629 9.851151 94.58397 
1 1 1   33   36    1 o  193.589   51.761   0.9148   0.7747   0.0000   1.0828   1.8742   1.1089  151.260   67.701  235.918   78.316 -84.65793 103.5223 
1 1 1   33   36    3 o  359.920   74.638   5.2184   1.4720   4.7488   2.0205   5.7495   2.1488  341.862  104.918  377.978  106.186 -36.11658 149.2760 
1 1 1   33   36    5 o  258.420   63.521   2.4612   1.0530   2.9051   1.4563   1.9748   1.5243  280.896   89.498  235.945   90.165 44.95061 127.0422 
1 1 1   33   36    7 o  257.148   63.764   2.4504   1.0427   2.2357   1.4408   2.6866   1.5109  247.279   88.910  267.017   91.426 -19.73828 127.5289 
1 1 1   34    0    0 o  383.842   96.428   4.5178   1.6459   4.5178   1.6459   0.0000   0.0000  383.842   96.428  383.842   96.428 0.000000 0.000000 
1 1 1   34    0    2 o  463.971   94.410   6.4223   1.9928   6.4223   1.9928   0.0000   0.0000  463.971   94.410  463.971   94.410 0.000000 0.000000 
1 1 1   34    0    4 f  459.734  100.593   6.4277   2.0820   6.4277   2.0820   0.0000   0.0000  459.734  100.593  459.734  100.593 0.000000 0.000000 
1 1 1   34    0    6 o  104.708   63.552   0.2814   0.6357   0.2814   0.6357   0.0000   0.0000  104.708   63.552  104.708   63.552 0.000000 0.000000 
1 1 1   34    0    8 o  271.739   87.370   2.4827   1.0773   2.4827   1.0773   0.0000   0.0000  271.739   87.370  271.739   87.370 -0.000000 0.000000 
1 1 1   34    0   10 o  260.163   88.905   2.3361   1.0676   0.0000   0.0000   2.3361   1.0676  260.163   88.905  260.163   88.905 0.000000 0.000000 
1 1 1   34    0   12 o  1123.56   60.704   33.620   3.4832   0.0000   0.0000   33.620   3.4832  1123.56   60.704  1123.56   60.704 0.000000 0.000000 
1 1 1   34    0   14 o  141.113   53.537   0.6406   0.5326   1.1964   0.8916   0.3322   0.6642  173.315   84.682  108.912   65.526 0.000000 0.000000 
1 1 1   34    0   16 o  648.300   54.436   11.561   1.6683   12.372   2.8208   11.125   2.0689  658.658   87.638  637.941   64.598 0.000000 0.000000 
1 1 1   34    0   18 o  345.477   63.825   3.5261   0.9465   4.9018   1.6427   2.8423   1.1581  398.090   92.256  292.864   88.222 0.000000 0.000000 
1 1 1   34    0   20 o  238.672  108.258   2.3082   1.4344   0.0000   0.0000   2.3082   1.4344  238.672  108.258  238.672  108.258 -0.000000 0.000000 
1 1 1   34    0   22 o  561.816   54.801   8.4897   1.4431   10.943   2.4804   7.2343   1.7742  619.231   81.903  504.401   72.831 0.000000 0.000000 
1 1 1   34    0   24 o  106.623   47.261   0.2266   0.4140   0.3376   1.0158   0.2045   0.4533  124.696   77.782   88.550   53.705 0.000000 0.000000 
1 1 1   34    0   26 o  106.480   47.212   0.2329   0.3984   0.2145   0.4316   0.3385   1.0349   87.803   52.824  125.156   78.265 -0.000000 0.000000 
1 1 1   34    0   28 f   83.827   54.377   0.0000   0.5576   0.0000   0.0000   0.0000   0.5576   83.827   54.377   83.827   54.377 0.000000 0.000000 
1 1 1   34    0   30 o  201.885   62.221   1.4473   0.6778   2.3756   1.1515   0.9551   0.8385  251.439   95.032  152.330   80.342 0.000000 0.000000 
1 1 1   34    0   32 o  503.633   55.702   7.3474   1.3177   6.2866   1.7173   8.8662   2.0548  456.925   80.584  550.340   76.923 -0.000000 0.000000 
1 1 1   34    0   34 o  328.173   61.116   3.5767   0.9153   2.3748   1.2265   5.0872   1.3750  242.794   99.545  413.552   70.932 -0.000000 0.000000 
1 1 1   34    0   36 o  124.843   49.774   0.6164   0.4874   0.5501   0.6720   0.6901   0.7082  119.648   68.661  130.038   72.080 -0.000000 0.000000 
1 1 1   34    0   38 o  184.615   60.622   1.3272   0.6521   0.8596   0.8230   2.1160   1.0690  141.460   77.959  227.769   92.859 -0.000000 0.000000 
1 1 1   34    1    1 o  278.214   56.600   2.2147   0.8534   2.2765   1.2046   2.1524   1.2093  281.862   79.618  274.565   80.469 7.297058 113.2007 
1 1 1   34    1    3 o  283.245   48.308   2.5727   0.7763   3.5411   0.9454   0.5693   1.3599  365.176   50.358  201.314   82.454 163.8617 96.61571 
1 1 1   34    1    5 o  324.796   51.162   3.2512   0.8159   3.8433   0.9951   2.0365   1.4254  380.193   50.910  269.400   88.759 110.7928 102.3230 
1 1 1   34    1    7 o  267.218   53.410   2.0112   0.7651   1.7501   1.0260   2.3382   1.1482  249.112   74.408  285.324   76.642 -36.21144 106.8202 
1 1 1   34    1    9 o  191.591   67.982   0.9060   0.8397   0.9060   0.8397   0.0000   0.0000  191.591   67.982  ?   ?       ?      ? 
1 1 1   34    1   11 o  133.355   55.074   0.1729   0.6131   0.1729   0.6131   0.0000   0.0000  133.355   55.074  ?   ?       ?      ? 
1 1 1   34    1   13 o  278.097   48.323   2.2153   0.6865   2.0608   0.9980   2.3540   0.9457  268.032   71.210  288.161   65.342 -20.12955 96.64597 
1 1 1   34    1   15 o  567.318   34.852   8.5942   1.0158   9.0440   1.4527   8.1637   1.4210  582.162   48.535  552.474   50.030 29.68884 69.70392 
1 1 1   34    1   17 o  191.482   39.628   1.0036   0.4174   0.8297   0.5720   1.2015   0.6104  175.799   56.101  207.165   55.982 -31.36595 79.25507 
1 1 1   34    1   19 o  188.461   38.867   0.9809   0.4029   0.8221   0.5661   1.1438   0.5734  174.783   55.812  202.139   54.107 -27.35622 77.73367 
1 1 1   34    1   21 o  406.563   37.549   4.4788   0.7818   4.0029   1.0963   4.9711   1.1151  383.586   55.589  429.540   50.494 -45.95374 75.09876 
1 1 1   34    1   23 o  182.903   36.838   0.9080   0.4051   0.2985   0.5905   1.4500   0.5568  137.687   55.074  228.118   48.939 -90.43115 73.67640 
1 1 1   34    1   25 o  323.595   48.971   2.5708   0.7338   4.5679   1.4252   1.8503   0.8560  395.014   72.861  252.176   65.452 142.8376 97.94212 
1 1 1   34    1   27 o  367.568   44.280   3.8844   0.7773   4.0054   0.9765   3.6752   1.2840  383.721   49.499  351.415   73.435 32.30597 88.55976 
1 1 1   34    1   29 o  144.508   37.168   0.5004   0.3572   0.4708   0.5268   0.5256   0.4860  143.530   53.405  145.486   51.708 -1.956329 74.33566 
1 1 1   34    1   31 o  220.573   39.320   1.4330   0.4579   1.8300   0.6332   0.9979   0.6628  253.891   50.291  187.255   60.456 66.63583 78.63953 
1 1 1   34    1   33 o  263.799   41.800   2.0566   0.5543   2.3385   0.7916   1.7854   0.7763  283.403   56.314  244.195   61.788 39.20802 83.59999 
1 1 1   34    1   35 o  249.684   39.721   1.8520   0.5006   2.2164   0.7125   1.4970   0.7034  276.660   52.003  222.707   60.057 53.95390 79.44251 
1 1 1   34    1   37 o  201.307   40.533   1.2234   0.4508   1.5497   0.6391   0.9003   0.6360  227.169   55.251  175.445   59.321 51.72392 81.06583 
1 1 1   34    2    0 f  116.098   62.660   0.5071   0.5204   0.5071   0.5204   0.0000   0.0000  116.098   62.660  116.098   62.660 0.000000 0.000000 
1 1 1   34    2    2 o  300.086   50.224   2.5378   0.7318   2.5742   1.2658   2.5195   0.8970  298.796   80.559  301.376   59.999 -2.579529 100.4473 
1 1 1   34    2    4 f  197.275   43.846   1.0909   0.5131   0.4786   0.9136   1.3731   0.6202  172.027   68.608  222.523   54.614 -50.49654 87.69102 
1 1 1   34    2    6 o  618.352   36.446   10.187   1.1578   9.9006   1.6522   10.464   1.6229  609.293   52.744  627.411   50.311 -18.11823 72.89181 
1 1 1   34    2    8 o  265.938   49.969   2.0407   0.7164   1.3958   1.0516   2.5991   0.9785  227.678   76.282  304.198   64.566 -76.51942 99.93844 
1 1 1   34    2   10 o  178.607   64.805   0.7511   0.7678   0.7511   0.7678   0.0000   0.0000  178.607   64.805  ?   ?       ?      ? 
1 1 1   34    2   12 o  655.926   63.138   11.724   2.1292   11.724   2.1292   0.0000   0.0000  655.926   63.138  ?   ?       ?      ? 
1 1 1   34    2   14 o  457.381   49.578   5.5867   1.1658   0.0000   0.0000   5.5867   1.1658  ?   ?   457.381   49.578      ?      ? 
1 1 1   34    2   16 o  291.908   39.191   2.3472   0.5735   2.7476   0.8178   1.9599   0.8044  320.427   49.644  263.390   60.655 57.03693 78.38122 
1 1 1   34    2   18 o  166.277   34.453   0.7241   0.3597   0.1163   0.5377   1.2165   0.4840  122.700   51.199  209.855   46.117 -87.15539 68.90634 
1 1 1   34    2   20 o  363.306   39.291   3.6654   0.6952   4.7062   0.9969   2.6801   0.9700  419.708   46.200  306.905   63.566 112.8027 78.58163 
1 1 1   34    2   22 o  527.657   36.001   7.5154   0.9764   7.3583   1.3629   7.6810   1.3996  522.061   50.778  533.253   51.049 -11.19165 72.00298 
1 1 1   34    2   24 o  438.969   50.406   5.3448   1.0155   6.0370   1.8793   5.0593   1.2068  447.482   84.789  430.455   54.532 17.02719 100.8116 
1 1 1   34    2   26 o  347.900   44.673   3.5132   0.7539   3.7886   0.9725   3.0986   1.1934  373.153   50.690  322.646   73.574 50.50717 89.34534 
1 1 1   34    2   28 o  331.970   51.935   3.0190   0.7720   2.7012   0.8892   3.9921   1.5560  307.285   58.420  356.654   85.885 -49.36911 103.8708 
1 1 1   34    2   30 o  325.938   45.723   3.1296   0.7243   2.9392   1.1855   3.2429   0.9148  309.332   75.260  342.543   51.946 -33.21152 91.44675 
1 1 1   34    2   32 o  319.334   38.883   2.8964   0.6229   3.2012   0.8968   2.6122   0.8659  339.202   51.425  299.466   58.335 39.73575 77.76550 
1 1 1   34    2   34 o  234.480   39.027   1.6160   0.4633   1.7589   0.6609   1.4779   0.6496  245.472   53.850  223.488   56.502 21.98328 78.05325 
1 1 1   34    2   36 o  189.408   37.613   1.0298   0.4011   1.5094   0.5860   0.6070   0.5502  226.851   51.427  151.966   54.900 74.88512 75.22522 
1 1 1   34    2   38 o  198.163   47.509   1.2230   0.5762   1.3456   0.8456   1.1167   0.7873  205.634   68.394  190.691   65.960 14.94321 95.01817 
1 1 1   34    3    1 o  293.986   42.234   2.3951   0.6261   1.8098   0.8872   2.9756   0.8836  253.447   67.049  334.525   51.374 -81.07809 84.46872 
1 1 1   34    3    3 o  568.763   38.712   8.6433   1.1248   9.9356   1.6184   7.4358   1.5644  611.130   51.510  526.395   57.804 84.73480 77.42448 
1 1 1   34    3    5 o  298.982   55.348   2.4591   0.8194   0.0000   0.0000   2.4591   0.8194  ?   ?   298.982   55.348      ?      ? 
1 1 1   34    3    7 o  334.013   44.590   2.9949   0.7118   3.5416   1.2094   2.7053   0.8804  354.731   68.796  313.295   56.747 41.43677 89.17967 
1 1 1   34    3    9 o  253.134   50.791   1.8151   0.6868   1.8437   1.0516   1.7939   0.9069  254.673   75.156  251.595   68.340 3.078552 101.5813 
1 1 1   34    3   11 o  232.774   44.976   1.4492   0.5947   2.3316   0.8755   0.6932   0.8103  288.499   60.937  177.049   66.166 111.4504 89.95150 
1 1 1   34    3   13 o  213.875   48.523   1.0820   0.6176   0.5637   0.7820   1.9409   1.0067  167.660   64.460  260.090   72.545 -92.42928 97.04572 
1 1 1   34    3   15 o  205.508   50.990   1.0911   0.6545   1.1310   0.8240   1.0229   1.0773  204.656   67.488  206.360   76.454 -1.703445 101.9798 
1 1 1   34    3   17 o  195.751   42.333   1.0627   0.4615   0.9664   0.7420   1.1234   0.5893  190.912   64.074  200.590   55.342 -9.678528 84.66544 
1 1 1   34    3   19 o  349.103   36.455   3.2875   0.6528   3.0450   0.9242   3.5290   0.9222  335.603   53.562  362.603   49.468 -26.99924 72.91065 
1 1 1   34    3   21 o  180.581   39.861   0.8918   0.4105   0.8792   0.5788   0.9046   0.5821  179.499   56.334  181.663   56.410 -2.163879 79.72219 
1 1 1   34    3   23 o  310.088   52.469   3.2055   0.8411   1.5246   1.5671   3.8856   0.9968  241.310   91.613  378.866   51.175 -137.5567 104.9373 
1 1 1   34    3   25 o  192.609   40.298   1.0049   0.4338   0.7137   0.5788   1.3780   0.6553  165.501   56.590  219.717   57.387 -54.21629 80.59538 
1 1 1   34    3   27 o  214.846   40.957   1.3261   0.4627   1.3363   0.6552   1.3159   0.6535  215.656   57.882  214.036   57.961 1.619690 81.91312 
1 1 1   34    3   29 o  261.826   41.208   1.9886   0.5397   2.0696   0.7381   1.8956   0.7910  269.016   55.215  254.636   61.186 14.37982 82.41629 
1 1 1   34    3   31 o  252.101   47.322   1.9308   0.6490   1.2724   0.9294   2.5575   0.9067  209.242   71.706  294.960   61.772 -85.71858 94.64366 
1 1 1   34    3   33 o  233.755   44.990   1.6986   0.5582   1.3363   0.9137   1.9144   0.7051  211.219   71.103  256.291   55.143 -45.07176 89.97987 
1 1 1   34    3   35 f  237.898   41.342   1.6954   0.5032   1.8761   0.7208   1.5237   0.7027  251.118   57.118  224.677   59.784 26.44102 82.68373 
1 1 1   34    3   37 o  288.028   49.201   2.5589   0.6728   2.9132   1.2450   2.4127   0.7997  292.265   80.359  283.792   56.791 8.473114 98.40115 
1 1 1   34    4    0 o  396.714   62.614   4.4258   1.1819   4.4258   1.1819   0.0000   0.0000  396.714   62.614  396.714   62.614 0.000000 0.000000 
1 1 1   34    4    2 o  214.026   43.891   1.2535   0.5152   1.5137   0.7494   1.0203   0.7094  232.724   61.651  195.328   62.490 37.39587 87.78298 
1 1 1   34    4    4 o  246.388   42.498   1.7004   0.5322   1.6476   0.7914   1.7440   0.7190  242.361   62.949  250.415   57.111 -8.054108 84.99555 
1 1 1   34    4    6 o  350.314   40.487   3.4006   0.6965   2.7177   1.0086   4.0232   0.9631  311.131   65.144  389.497   48.093 -78.36606 80.97359 
1 1 1   34    4    8 o  114.108   48.897   0.0000   0.5125   0.0000   0.5125   0.0000   0.0000  114.108   48.897  ?   ?       ?      ? 
1 1 1   34    4   10 o  635.149   45.176   10.951   1.4682   11.385   2.2012   10.603   1.9706  645.021   66.377  625.277   61.299 19.74414 90.35184 
1 1 1   34    4   12 o  264.736   49.224   1.9997   0.6721   2.0073   1.0474   1.9944   0.8763  264.284   74.097  265.187   64.821 -0.9034119 98.44839 
1 1 1   34    4   14 o  313.969   39.462   2.7001   0.6122   3.5403   0.8964   1.9656   0.8382  364.494   47.836  263.444   62.774 101.0495 78.92374 
1 1 1   34    4   16 o  212.967   49.703   1.2307   0.5890   1.2822   0.6818   1.0790   1.1694  213.670   59.740  212.264   79.453 1.406464 99.40656 
1 1 1   34    4   18 o  532.239   39.647   7.5506   1.0568   8.2913   1.7294   7.1092   1.3350  550.043   61.154  514.435   50.476 35.60803 79.29442 
1 1 1   34    4   20 o  660.704   47.775   11.930   1.4245   12.686   2.7959   11.665   1.6555  662.229   82.120  659.179   48.849 3.050232 95.55003 
1 1 1   34    4   22 o  268.779   51.694   2.1962   0.7031   1.7522   1.3356   2.3663   0.8270  247.766   85.901  289.793   57.535 -42.02713 103.3885 
1 1 1   34    4   24 o  251.139   43.487   1.8487   0.5603   2.1233   0.7470   1.4957   0.8471  274.663   54.818  227.614   67.525 47.04877 86.97493 
1 1 1   34    4   26 o  350.749   39.375   3.4236   0.6905   2.9994   0.9616   3.8751   0.9921  324.440   59.854  377.058   51.178 -52.61789 78.75040 
1 1 1   34    4   28 o  277.518   39.481   2.1915   0.5411   2.1441   0.7252   2.2510   0.8126  275.254   53.170  279.781   58.377 -4.526703 78.96169 
1 1 1   34    4   30 o  329.668   52.707   3.5282   0.8021   3.8074   0.9299   2.7162   1.5857  372.675   48.531  286.662   93.578 86.01294 105.4135 
1 1 1   34    4   32 o  150.673   38.534   0.5526   0.3981   0.2640   0.5964   0.7845   0.5346  133.766   54.674  167.579   54.315 -33.81306 77.06743 
1 1 1   34    4   34 o  179.589   38.703   0.9235   0.3926   1.1194   0.5741   0.7514   0.5382  195.202   54.901  163.976   54.566 31.22589 77.40554 
1 1 1   34    4   36 o  335.858   48.469   3.2191   0.7722   4.6679   1.3731   2.5491   0.9338  384.494   72.112  287.221   64.782 97.27301 96.93771 
1 1 1   34    5    1 o  223.785   43.755   1.3998   0.5219   1.5200   0.7189   1.2658   0.7590  233.332   59.686  214.239   63.998 19.09309 87.51060 
1 1 1   34    5    3 o  251.972   45.864   1.8608   0.6382   2.5738   0.8457   0.9176   0.9726  305.855   55.837  198.089   72.775 107.7661 91.72755 
1 1 1   34    5    5 o  328.361   46.327   3.1943   0.7483   4.0678   0.9860   2.0075   1.1493  391.427   48.994  265.294   78.640 126.1332 92.65382 
1 1 1   34    5    7 o  259.652   44.977   1.9919   0.6874   0.4901   1.0726   3.0383   0.8954  181.758   73.688  337.546   51.594 -155.7874 89.95498 
1 1 1   34    5    9 o  299.670   48.759   2.5403   0.7329   2.7160   1.0951   2.3978   0.9864  308.611   70.555  290.728   67.319 17.88303 97.51875 
1 1 1   34    5   11 o  180.006   41.598   0.8756   0.4567   0.4276   0.7814   1.1079   0.5628  160.183   63.587  199.830   53.650 -39.64714 83.19614 
1 1 1   34    5   13 o  388.880   42.422   3.8046   0.7955   5.5942   1.3868   2.9269   0.9711  454.025   59.409  323.735   60.574 130.2903 84.84456 
1 1 1   34    5   15 o  138.341   36.053   0.4186   0.3382   0.4604   0.4859   0.3793   0.4709  142.048   51.554  134.634   50.413 7.414169 72.10648 
1 1 1   34    5   17 o  181.027   42.848   0.6005   0.4221   0.3343   0.4802   1.5051   0.8853  131.822   50.554  230.233   69.196 -98.41109 85.69586 
1 1 1   34    5   19 o  212.432   50.932   1.2244   0.6499   1.2669   0.8126   1.1489   1.0829  212.844   66.736  212.020   76.958 0.8232880 101.8636 
1 1 1   34    5   21 o  338.937   55.572   3.4171   0.9189   3.3441   1.5518   3.4566   1.1403  330.093   89.285  347.781   66.192 -17.68808 111.1443 
1 1 1   34    5   23 o  157.783   39.251   0.6209   0.3964   0.6963   0.5365   0.5303   0.5883  162.862   54.488  152.704   56.512 10.15852 78.50200 
1 1 1   34    5   25 o  419.714   39.709   4.9738   0.8104   6.1349   1.1341   3.7626   1.1583  477.325   46.214  362.103   64.587 115.2222 79.41776 
1 1 1   34    5   27 o  188.281   39.976   1.0025   0.4180   1.0414   0.5715   0.9578   0.6128  191.586   55.085  184.977   57.947 6.609512 79.95176 
1 1 1   34    5   29 o  407.584   36.760   4.5774   0.7692   4.4997   1.0564   4.6651   1.1222  404.536   50.790  410.632   53.156 -6.096130 73.52027 
1 1 1   34    5   31 o  334.994   46.832   2.9640   0.7160   2.4336   0.8369   4.4127   1.3830  289.262   58.288  380.726   73.316 -91.46445 93.66309 
1 1 1   34    5   33 f  220.151   42.965   1.2719   0.4991   2.1880   0.8610   0.8085   0.6124  269.638   63.211  170.664   58.209 98.97409 85.93016 
1 1 1   34    5   35 o  180.664   38.172   0.6690   0.4129   1.7932   0.7238   0.1269   0.5026  244.456   58.393  116.873   49.181 127.5835 76.34437 
1 1 1   34    5   37 o  172.416   39.744   0.8827   0.4229   1.1302   0.5502   0.5254   0.6610  194.353   53.412  150.479   58.870 43.87347 79.48891 
1 1 1   34    6    0 o  455.085   90.212   6.1409   1.8755   0.0000   0.0000   6.1409   1.8755  455.085   90.212  455.085   90.212 -0.000000 0.000000 
1 1 1   34    6    2 o  263.761   52.064   2.0132   0.7720   1.1748   1.1560   2.6881   1.0373  218.775   79.499  308.747   67.249 -89.97182 104.1276 
1 1 1   34    6    4 o  278.962   53.002   2.2945   0.7854   1.7207   1.2493   2.6697   1.0100  249.855   83.133  308.069   65.770 -58.21356 106.0033 
1 1 1   34    6    6 o  467.704   42.165   5.7953   0.9874   4.1991   1.3123   7.8781   1.4991  392.694   65.001  542.714   53.726 -150.0201 84.33002 
1 1 1   34    6    8 o  257.508   47.096   1.8039   0.6320   2.4813   0.9820   1.3249   0.8257  296.247   66.145  218.768   67.060 77.47984 94.19257 
1 1 1   34    6   10 o  329.446   49.286   3.0603   0.7975   3.2364   1.2531   2.9405   1.0340  335.465   74.588  323.426   64.444 12.03900 98.57165 
1 1 1   34    6   12 o  251.955   49.609   1.7764   0.6507   1.9807   1.0642   1.6544   0.8224  262.301   75.094  241.609   64.848 20.69154 99.21898 
1 1 1   34    6   14 o  255.147   45.062   1.8765   0.5685   1.6992   0.9920   1.9632   0.6936  244.024   73.228  266.271   52.534 -22.24715 90.12314 
1 1 1   34    6   16 o  141.565   35.625   0.4598   0.3193   0.5642   0.5162   0.3952   0.4064  151.981   53.364  131.149   47.212 20.83267 71.25098 
1 1 1   34    6   18 o  240.742   45.395   1.3058   0.5276   2.6274   1.0633   0.8741   0.6077  301.420   69.964  180.063   57.861 121.3571 90.79001 
1 1 1   34    6   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    6   22 f  249.713   42.079   1.7830   0.5361   2.0911   0.7584   1.4754   0.7578  272.469   56.010  226.958   62.813 45.51031 84.15839 
1 1 1   34    6   24 o  250.916   40.526   1.8036   0.5124   2.0071   0.7103   1.5828   0.7398  267.204   53.570  234.629   60.825 32.57491 81.05204 
1 1 1   34    6   26 o  393.213   39.516   4.3617   0.7589   5.3664   1.0709   3.3481   1.0756  445.599   46.744  340.827   63.728 104.7722 79.03269 
1 1 1   34    6   28 o  323.838   39.073   2.9585   0.6319   3.2257   0.8792   2.6729   0.9088  343.365   49.804  304.311   60.220 39.05411 78.14626 
1 1 1   34    6   30 o  262.884   40.035   1.9581   0.5414   1.3099   0.7359   2.7229   0.7992  211.185   63.000  314.582   49.417 -103.3973 80.06905 
1 1 1   34    6   32 o  173.807   43.169   0.4407   0.4098   0.1629   0.4542   1.6586   0.9508  115.431   47.507  232.183   72.092 -116.7521 86.33734 
1 1 1   34    6   34 o  290.758   49.463   2.6470   0.6986   2.5805   1.2336   2.6784   0.8476  279.304   81.110  302.212   56.634 -22.90839 98.92587 
1 1 1   34    6   36 o  162.041   38.688   0.7267   0.4145   1.0700   0.5443   0.2526   0.6396  189.829   53.485  134.253   55.915 55.57631 77.37599 
1 1 1   34    7    1 o  196.249   42.959   0.9133   0.4711   1.5429   0.8063   0.5870   0.5806  234.502   64.749  157.995   56.476 76.50639 85.91821 
1 1 1   34    7    3 o  215.222   45.211   1.1986   0.5059   1.5569   0.9135   1.0400   0.6076  235.748   70.163  194.695   57.037 41.05330 90.42126 
1 1 1   34    7    5 o  248.298   48.058   1.7906   0.6034   1.4602   1.1351   1.9207   0.7124  233.092   79.248  263.505   54.386 -30.41251 96.11504 
1 1 1   34    7    7 o  347.026   49.530   3.2055   0.8837   0.0000   0.0000   3.2055   0.8837  ?   ?   347.026   49.530      ?      ? 
1 1 1   34    7    9 o  478.007   47.754   6.0814   1.1166   8.4232   1.7677   4.5268   1.4403  556.802   61.752  399.212   72.859 157.5894 95.50728 
1 1 1   34    7   11 o  251.791   48.587   1.7879   0.6345   1.8915   1.0220   1.7229   0.8093  256.862   73.604  246.720   63.445 10.14154 97.17470 
1 1 1   34    7   13 o  439.172   48.173   5.2253   1.0337   7.2392   1.6042   3.7952   1.3519  515.625   60.514  362.719   74.970 152.9065 96.34561 
1 1 1   34    7   15 o  335.417   43.731   2.6142   0.6856   4.7626   1.3232   1.8258   0.8016  417.204   61.691  253.631   61.998 163.5730 87.46188 
1 1 1   34    7   17 o  736.899   47.123   14.630   1.5878   16.026   3.0812   14.125   1.8527  748.211   80.100  725.586   49.664 22.62543 94.24699 
1 1 1   34    7   19 o  217.910   40.117   1.3512   0.5105   2.1446   0.6967   0.4317   0.7501  278.565   50.510  157.254   62.340 121.3106 80.23394 
1 1 1   34    7   21 o  439.122   58.783   5.5612   1.2376   5.0446   1.5403   6.5024   2.0790  416.314   74.708  461.930   90.776 -45.61627 117.5651 
1 1 1   34    7   23 o  223.225   38.449   1.3758   0.5000   0.4480   0.7104   2.2866   0.7038  154.879   60.898  291.572   46.953 -136.6928 76.89730 
1 1 1   34    7   25 o  174.442   36.824   0.8281   0.3860   0.3526   0.5648   1.2446   0.5286  138.601   54.365  210.282   49.685 -71.68111 73.64885 
1 1 1   34    7   27 o  316.760   41.323   3.0462   0.6415   4.6426   0.8963   1.3699   0.9185  415.932   41.915  217.588   71.228 198.3440 82.64607 
1 1 1   34    7   29 o  572.741   44.234   9.1108   1.2386   10.140   2.1431   8.5945   1.5178  588.521   70.830  556.961   53.005 31.55908 88.46758 
1 1 1   34    7   31 o  260.823   41.269   1.9817   0.5406   1.6783   0.7407   2.3277   0.7909  238.095   60.410  283.550   56.240 -45.45512 82.53703 
1 1 1   34    7   33 o  345.701   98.704   4.2851   1.8411   0.0000   0.0000   4.2851   1.8411  ?   ?   345.701   98.704      ?      ? 
1 1 1   34    7   35 o  172.404   54.979   0.8616   0.5495   0.8616   0.5495   0.0000   0.0000  172.404   54.979  ?   ?       ?      ? 
1 1 1   34    7   37 o  209.797   44.968   1.4667   0.5267   1.6562   0.6030   0.8570   1.0817  236.733   51.047  182.862   74.046 53.87086 89.93698 
1 1 1   34    8    0 o  426.167   59.981   5.0430   1.2394   5.0430   1.2394   0.0000   0.0000  426.167   59.981  426.167   59.981 0.000000 0.000000 
1 1 1   34    8    2 o  314.750   41.431   2.7378   0.6430   2.7960   0.9600   2.6905   0.8659  316.925   61.132  312.575   55.936 4.350525 82.86137 
1 1 1   34    8    4 o  186.591   39.459   0.9104   0.4335   0.4595   0.6077   1.3777   0.6187  150.590   57.078  222.593   54.499 -72.00323 78.91806 
1 1 1   34    8    6 o  344.776   53.330   3.5082   0.9096   2.8097   1.4942   3.9195   1.1465  308.431   89.178  381.121   58.510 -72.69003 106.6592 
1 1 1   34    8    8 o  292.678   61.669   2.4030   0.8987   0.0000   0.0000   2.4030   0.8987  ?   ?   292.678   61.669      ?      ? 
1 1 1   34    8   10 o  204.669   59.602   1.1628   0.6653   0.0000   0.0000   1.1628   0.6653  ?   ?   204.669   59.602      ?      ? 
1 1 1   34    8   12 o  418.795   60.240   4.7715   1.2971   0.0000   0.0000   4.7715   1.2971  ?   ?   418.795   60.240      ?      ? 
1 1 1   34    8   14 o  319.815   64.826   2.8979   1.0294   0.0000   0.0000   2.8979   1.0294  ?   ?   319.815   64.826      ?      ? 
1 1 1   34    8   16 o  213.290   47.989   1.2686   0.5784   1.1304   0.9987   1.3384   0.7095  208.815   74.134  217.764   60.958 -8.948975 95.97780 
1 1 1   34    8   18 o  267.687   43.469   2.1282   0.6354   3.1038   0.8556   0.9288   0.9488  340.090   48.936  195.284   71.858 144.8054 86.93865 
1 1 1   34    8   20 o  194.913   43.291   1.0164   0.4615   1.1608   0.8090   0.9466   0.5620  205.030   66.836  184.797   55.040 20.23303 86.58160 
1 1 1   34    8   22 o  200.707   47.947   1.0676   0.6599   1.6667   0.8245   0.0000   1.1007  240.137   65.135  161.276   70.378 78.86064 95.89363 
1 1 1   34    8   24 o  374.398   37.495   3.8257   0.7175   3.3168   0.9973   4.3716   1.0330  347.403   55.839  401.394   50.055 -53.99127 74.99050 
1 1 1   34    8   26 o  240.100   41.039   1.6629   0.5037   1.4135   0.7120   1.9128   0.7127  221.008   60.768  259.192   55.173 -38.18382 82.07806 
1 1 1   34    8   28 o  236.676   38.213   1.6266   0.5083   2.6214   0.7103   0.5823   0.7277  311.250   44.387  162.101   62.215 149.1483 76.42596 
1 1 1   34    8   30 o  432.901   35.959   5.1880   0.7975   5.2015   1.0855   5.1722   1.1755  434.878   48.550  430.924   53.058 3.953979 71.91811 
1 1 1   34    8   32 o  338.569   61.539   3.7832   1.0622   3.6813   1.3687   3.9374   1.6843  339.174   79.822  337.964   93.683 1.209503 123.0770 
1 1 1   34    8   34 o  176.187   61.660   0.8753   0.6889   0.8753   0.6889   0.0000   0.0000  176.187   61.660  ?   ?       ?      ? 
1 1 1   34    8   36 o  280.413   51.486   2.3476   0.6687   2.1171   0.7671   3.0768   1.3644  264.728   57.971  296.099   85.104 -31.37103 102.9727 
1 1 1   34    9    1 o  553.585   44.218   8.3839   1.2243   8.6412   1.5779   7.9948   1.9406  568.057   54.027  539.114   70.013 28.94348 88.43544 
1 1 1   34    9    3 o  362.072   44.617   3.5687   0.7985   2.6530   1.0717   4.7111   1.1971  305.272   69.805  418.872   55.587 -113.5996 89.23371 
1 1 1   34    9    5 o  508.165   40.948   6.9463   1.0683   6.6165   1.4648   7.3212   1.5616  495.476   57.501  520.854   58.314 -25.37744 81.89555 
1 1 1   34    9    7 o  175.466   46.883   0.6489   0.5875   0.8705   0.7885   0.3721   0.8811  186.919   65.923  164.012   66.679 22.90604 93.76501 
1 1 1   34    9    9 o  401.707   59.297   4.3737   1.2247   0.0000   0.0000   4.3737   1.2247  ?   ?   401.707   59.297      ?      ? 
1 1 1   34    9   11 o  248.283   62.089   1.7445   0.7905   0.0000   0.0000   1.7445   0.7905  ?   ?   248.283   62.089      ?      ? 
1 1 1   34    9   13 f  207.036   59.007   1.1984   0.6586   0.0000   0.0000   1.1984   0.6586  ?   ?   207.036   59.007      ?      ? 
1 1 1   34    9   15 o  216.363   46.715   1.1805   0.5451   1.8053   0.9592   0.8824   0.6625  250.312   71.166  182.413   60.534 67.89958 93.42950 
1 1 1   34    9   17 f  165.432   39.595   0.6811   0.4175   0.9779   0.5802   0.3623   0.6014  187.963   55.910  142.901   56.081 45.06175 79.18948 
1 1 1   34    9   19 o  156.819   36.394   0.6474   0.3449   0.4676   0.5213   0.7874   0.4599  144.380   53.243  169.259   49.633 -24.87872 72.78882 
1 1 1   34    9   21 o  153.497   35.978   0.6088   0.3434   0.3528   0.5137   0.8155   0.4616  135.277   52.181  171.717   49.545 -36.43985 71.95519 
1 1 1   34    9   23 o  265.600   59.404   1.9693   0.8382   1.7280   0.9864   2.5962   1.5901  242.622   73.067  288.578   93.685 -45.95625 118.8088 
1 1 1   34    9   25 o  145.532   36.024   0.5115   0.3728  -0.2532   0.6895   0.8274   0.4432  118.955   53.570  172.110   48.178 -53.15511 72.04752 
1 1 1   34    9   27 o  245.758   40.614   1.7566   0.5054   1.9677   0.6962   1.5213   0.7349  263.214   53.278  228.302   61.313 34.91194 81.22707 
1 1 1   34    9   29 o  264.455   55.368   1.9022   0.6571   1.7453   0.7201   2.6829   1.6066  244.650   58.115  284.261   94.262 -39.61118 110.7369 
1 1 1   34    9   31 o  231.120   57.067   1.5939   0.7922   1.5077   0.9523   1.7876   1.4275  222.726   72.510  239.515   88.141 -16.78874 114.1344 
1 1 1   34    9   33 o  232.123   54.685   1.5847   0.6419   1.5847   0.6419   0.0000   0.0000  232.123   54.685  ?   ?       ?      ? 
1 1 1   34    9   35 o  172.240   45.069   0.6436   0.5159   0.3012   0.6288   1.3484   0.9022  136.304   55.975  208.174   70.652 -71.87010 90.13831 
1 1 1   34   10    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   10    2 o  285.801   78.964   2.3676   1.1988   2.3676   1.1988   0.0000   0.0000  285.801   78.964  ?   ?       ?      ? 
1 1 1   34   10    4 o  154.627   44.053   0.3494   0.5188   0.3327   0.6434   0.3805   0.8772  145.031   57.660  164.222   66.617 -19.19119 88.10558 
1 1 1   34   10    6 o  435.007   61.856   5.4573   1.3565   3.9506   1.8358   7.2691   2.0131  360.535   96.941  509.478   76.857 -148.9422 123.7110 
1 1 1   34   10    8 o  258.642   81.564   1.9140   1.2119   0.0000   0.0000   1.9140   1.2119  ?   ?   258.642   81.564      ?      ? 
1 1 1   34   10   10 o  233.952   44.454   1.3652   0.5670   2.4510   0.9265   0.7151   0.7169  294.608   63.073  173.296   62.661 121.3114 88.90739 
1 1 1   34   10   12 o  313.959   47.886   2.4983   0.7711   4.4378   1.2857   1.4087   0.9637  402.778   62.090  225.141   72.919 177.6366 95.77189 
1 1 1   34   10   14 o  326.426   51.865   2.8667   0.8704   0.0000   0.0000   2.8667   0.8704  ?   ?   326.426   51.865      ?      ? 
1 1 1   34   10   16 o  278.345   48.712   2.2217   0.6340   2.2055   1.2461   2.2273   0.7364  273.208   82.093  283.483   52.461 -10.27536 97.42364 
1 1 1   34   10   18 o  238.990   47.487   1.6432   0.5700   1.5304   1.0946   1.6851   0.6677  233.042   77.827  244.938   54.433 -11.89653 94.97344 
1 1 1   34   10   20 o  235.643   42.539   1.6219   0.5452   2.2312   0.7446   0.9178   0.8004  282.823   53.161  188.462   66.425 94.36147 85.07831 
1 1 1   34   10   22 o  406.663   48.107   5.0950   0.9094   6.5057   1.1965   3.1659   1.3992  491.495   47.350  321.830   83.757 169.6648 96.21465 
1 1 1   34   10   24 o  257.818   59.416   1.9091   0.8355   1.7892   0.9783   2.2324   1.6066  245.794   72.473  269.842   94.174 -24.04851 118.8327 
1 1 1   34   10   26 o  322.194   55.345   3.6919   0.8512   4.1506   0.9484   1.7934   1.9297  391.021   47.178  253.367  100.132 137.6538 110.6891 
1 1 1   34   10   28 o  215.561   52.109   1.3266   0.5860   1.3929   0.6309   0.9096   1.5814  219.425   55.798  211.698   88.024 7.726624 104.2189 
1 1 1   34   10   30 o  321.372   66.440   3.1978   1.0889   2.6377   1.2939   4.5578   2.0162  285.653   83.099  357.092  103.689 -71.43900 132.8795 
1 1 1   34   10   32 o  388.193   50.207   4.2102   1.0020   4.2102   1.0020   0.0000   0.0000  388.193   50.207  ?   ?       ?      ? 
1 1 1   34   10   34 o  394.323   57.647   5.8060   0.9909   6.4605   1.1365   3.7299   2.0240  481.968   45.864  306.677  105.778 175.2909 115.2930 
1 1 1   34   10   36 o  289.395   57.164   3.0215   0.9051   3.4166   1.1319   2.3207   1.5073  327.447   69.391  251.344   90.862 76.10295 114.3280 
1 1 1   34   11    1 o  218.973   46.099   1.3637   0.5347   1.0805   1.0156   1.4723   0.6289  207.967   74.661  229.979   54.095 -22.01213 92.19790 
1 1 1   34   11    3 o  209.717   38.558   1.1693   0.4272   1.6900   0.6575   0.7889   0.5619  246.788   53.376  172.646   55.658 74.14221 77.11504 
1 1 1   34   11    5 o  547.677   36.669   8.0249   1.0213   8.0521   1.5626   8.0047   1.3493  546.874   55.578  548.479   47.849 -1.605530 73.33745 
1 1 1   34   11    7 o  210.871   44.877   1.0981   0.4702   1.5819   0.9527   0.9422   0.5407  236.642   71.932  185.100   53.681 51.54204 89.75462 
1 1 1   34   11    9 o  584.822   46.656   8.9787   1.3702   11.800   2.2393   7.2902   1.7323  654.572   66.541  515.072   65.417 139.5002 93.31172 
1 1 1   34   11   11 f  377.882   76.909   4.1426   1.4434   4.1426   1.4434   0.0000   0.0000  377.882   76.909  ?   ?       ?      ? 
1 1 1   34   11   13 o  282.715   47.904   2.1522   0.6328   2.6638   1.2054   1.9576   0.7434  301.132   77.428  264.299   56.426 36.83331 95.80726 
1 1 1   34   11   15 o  432.178   46.611   5.1741   0.9351   5.3816   1.6668   5.0788   1.1295  429.731   78.327  434.626   50.550 -4.895599 93.22186 
1 1 1   34   11   17 o  288.253   49.186   2.4912   0.6829   1.9947   1.3122   2.6756   0.7998  260.987   85.124  315.518   49.303 -54.53116 98.37121 
1 1 1   34   11   19 o  452.244   46.001   5.3729   0.9816   6.5532   1.8536   4.9129   1.1571  478.883   75.285  425.605   52.882 53.27808 92.00175 
1 1 1   34   11   21 o  484.713   44.620   6.0679   1.0328   7.9030   1.9305   5.3321   1.2224  527.173   71.227  442.252   53.764 84.92056 89.24037 
1 1 1   34   11   23 o  399.653   51.574   4.3520   1.0597   4.3520   1.0597   0.0000   0.0000  399.653   51.574  ?   ?       ?      ? 
1 1 1   34   11   25 o  296.031   74.025   2.6432   1.1237   2.6432   1.1237   0.0000   0.0000  296.031   74.025  ?   ?       ?      ? 
1 1 1   34   11   27 o  275.151   54.423   2.3649   0.7050   2.4624   0.7689   1.8512   1.7651  299.582   49.924  250.721   96.722 48.86090 108.8464 
1 1 1   34   11   29 o  267.162   59.030   1.5732   0.8687   0.6853   1.0036   4.2252   1.7346  179.565   71.811  354.759   93.709 -175.1937 118.0597 
1 1 1   34   11   31 o  258.246   54.856   1.9413   0.7058   1.9413   0.7058   0.0000   0.0000  258.246   54.856  ?   ?       ?      ? 
1 1 1   34   11   33 o  203.068   42.893   0.9170   0.3742   0.7443   0.4056   1.9034   0.9696  161.438   46.401  244.698   72.153 -83.26010 85.78564 
1 1 1   34   11   35 o  257.393   48.054   1.9190   0.5195   1.8269   0.5664   2.4067   1.3034  252.892   45.227  261.895   84.802 -9.003128 96.10808 
1 1 1   34   12    0 o  130.648   61.242   0.6578   0.4608   0.0000   0.0000   0.6578   0.4608  130.648   61.242  130.648   61.242 -0.000000 0.000000 
1 1 1   34   12    2 o  130.102   32.752   0.3959   0.2764   0.2794   0.4417   0.4708   0.3542  124.789   48.317  135.415   44.231 -10.62578 65.50488 
1 1 1   34   12    4 o  189.029   42.723   0.9749   0.4298   0.7013   0.9285   1.0495   0.4849  183.273   70.292  194.786   48.582 -11.51295 85.44684 
1 1 1   34   12    6 o  187.793   38.339   0.9186   0.3880   1.2704   0.6232   0.6958   0.4959  213.181   56.096  162.406   52.275 50.77505 76.67770 
1 1 1   34   12    8 o  275.271   46.199   2.4902   0.6588   0.9425   1.2468   3.0895   0.7759  209.244   81.131  341.298   44.219 -132.0542 92.39861 
1 1 1   34   12   10 o  143.397   36.701   0.4893   0.3458   0.0000   0.7021   0.6460   0.3974  132.121   56.934  154.673   46.330 -22.55266 73.40270 
1 1 1   34   12   12 o  192.543   39.862   0.6801   0.4582   1.9615   0.8062   0.0687   0.5569  263.167   60.806  121.919   51.560 141.2482 79.72325 
1 1 1   34   12   14 o  192.252   51.730   0.8215   0.6862   0.8040   0.8546   0.8532   1.1511  184.439   68.143  200.065   77.848 -15.62613 103.4590 
1 1 1   34   12   16 o  171.689   38.653   0.7616   0.3812   0.9972   0.6003   0.6024   0.4935  189.673   56.973  153.704   52.252 35.97000 77.30605 
1 1 1   34   12   18 o  240.815   53.056   1.5798   0.6470   1.5085   0.7356   1.8232   1.3596  229.851   61.172  251.779   86.704 -21.92853 106.1116 
1 1 1   34   12   20 o  217.636   49.244   0.9385   0.5426   0.5864   0.6081   2.3131   1.2014  157.721   57.606  277.551   79.884 -119.8295 98.48800 
1 1 1   34   12   22 o  480.436   63.743   6.8792   1.5268   5.5017   1.9950   8.8267   2.3720  416.686   95.208  544.186   84.782 -127.4995 127.4851 
1 1 1   34   12   24 o  497.234  112.151   8.4439   2.7987   0.0000   0.0000   8.4439   2.7987  ?   ?   497.234  112.151      ?      ? 
1 1 1   34   12   26 o  296.747   79.153   2.7303   1.2299   2.7303   1.2299   0.0000   0.0000  296.747   79.153  ?   ?       ?      ? 
1 1 1   34   12   28 o  365.128   49.575   3.6720   0.9306   3.6720   0.9306   0.0000   0.0000  365.128   49.575  ?   ?       ?      ? 
1 1 1   34   12   30 o  122.003   42.100   0.3768   0.3206   0.3768   0.3206   0.0000   0.0000  122.003   42.100  ?   ?       ?      ? 
1 1 1   34   12   32 o  221.953   39.794   0.7782   0.3540   0.4752   0.3783   2.9118   1.0038  134.287   45.748  309.618   65.126 -175.3313 79.58775 
1 1 1   34   12   34 o  238.423   46.771   1.7910   0.4929   1.8388   0.5287   1.4729   1.3637  259.242   39.664  217.605   84.716 41.63652 93.54211 
1 1 1   34   13    1 o  230.222   39.064   1.4916   0.4577   1.3069   0.6679   1.6552   0.6285  216.000   58.637  244.444   51.630 -28.44438 78.12755 
1 1 1   34   13    3 o  424.874   36.808   4.7987   0.7971   5.1524   1.2252   4.5391   1.0495  437.497   54.473  412.250   49.518 25.24628 73.61613 
1 1 1   34   13    5 o  256.051   50.093   1.7419   0.5900   2.1040   1.2917   1.6464   0.6632  269.177   84.099  242.925   54.448 26.25223 100.1864 
1 1 1   34   13    7 o  287.791   46.444   1.8651   0.6097   3.7067   1.2594   1.3013   0.6968  360.280   70.515  215.301   60.463 144.9790 92.88779 
1 1 1   34   13    9 o  196.640   44.612   0.8838   0.4845   1.5826   0.8945   0.5936   0.5764  235.778   69.238  157.503   56.276 78.27559 89.22382 
1 1 1   34   13   11 o  266.454   76.710   2.0712   1.1077   2.0712   1.1077   0.0000   0.0000  266.454   76.710  ?   ?       ?      ? 
1 1 1   34   13   13 o  234.329   56.551   1.5214   0.8502   1.9930   1.1122   0.8587   1.3185  261.223   77.347  207.434   82.519 53.78816 113.1015 
1 1 1   34   13   15 o  278.616   51.776   2.0682   0.7873   1.0951   1.0118   3.5614   1.2533  206.612   74.481  350.620   71.941 -144.0080 103.5512 
1 1 1   34   13   17 o  132.479   38.495   0.2247   0.4012   0.3177   0.4770   0.0000   0.7417  130.005   50.245  134.952   58.335 -4.946228 76.99062 
1 1 1   34   13   19 o  308.197   55.897   2.8210   0.8109   2.8199   0.9354   2.8240   1.6262  315.556   59.850  300.837   94.424 14.71863 111.7934 
1 1 1   34   13   21 o  194.288   47.107   0.9992   0.5224   1.0144   0.6032   0.9538   1.0449  190.171   57.109  198.406   74.933 -8.235779 94.21436 
1 1 1   34   13   23 o  262.914   48.893   1.9854   0.5516   1.9986   0.6002   1.9134   1.4003  272.980   42.764  252.847   87.940 20.13272 97.78670 
1 1 1   34   13   25 o  223.975   50.447   1.5474   0.5661   1.6832   0.6011   0.4835   1.6823  244.474   49.521  203.475   87.906 40.99884 100.8948 
1 1 1   34   13   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   13   29 o  180.062   46.087   0.9214   0.4284   0.9214   0.4284   0.0000   0.0000  180.062   46.087  ?   ?       ?      ? 
1 1 1   34   13   31 o  291.576   38.310   2.2978   0.5743   2.2978   0.5743   0.0000   0.0000  291.576   38.310  ?   ?       ?      ? 
1 1 1   34   13   33 o  291.876   49.417   2.9862   0.6167   3.1738   0.6729   2.0024   1.5414  341.621   38.314  242.132   91.104 99.48854 98.83302 
1 1 1   34   13   35 o  186.248   43.455   1.0937   0.4569   1.2168   0.5026   0.5065   1.0972  203.390   48.704  169.107   71.980 34.28357 86.90912 
1 1 1   34   14    0 o   99.126   47.375   0.3768   0.2771   0.0000   0.0000   0.3768   0.2771   99.126   47.375   99.126   47.375 -0.000000 0.000000 
1 1 1   34   14    2 o  225.723   44.371   1.2809   0.4257   1.2135   0.4635   1.6436   1.0751  210.246   44.281  241.201   76.904 -30.95416 88.74189 
1 1 1   34   14    4 o  382.128   55.856   4.1991   0.9949   4.1949   1.1881   4.2092   1.8204  392.952   58.808  371.304   94.979 21.64853 111.7115 
1 1 1   34   14    6 o  306.221   58.720   2.5637   0.9914   1.4170   1.2852   4.2486   1.5578  232.538   83.925  379.904   82.151 -147.3660 117.4404 
1 1 1   34   14    8 o  354.761   60.710   3.8640   1.1304   5.0182   1.5493   2.5500   1.6530  417.596   74.913  291.926   95.557 125.6701 121.4208 
1 1 1   34   14   10 o  160.266   47.500   0.6985   0.4193   0.6985   0.4193   0.0000   0.0000  160.266   47.500  ?   ?       ?      ? 
1 1 1   34   14   12 o  193.607   52.614   1.0455   0.5374   1.0455   0.5374   0.0000   0.0000  193.607   52.614  ?   ?       ?      ? 
1 1 1   34   14   14 f  359.889   52.776   3.3568   0.7932   3.0859   0.8841   4.4741   1.7954  338.419   50.814  381.358   92.516 -42.93951 105.5524 
1 1 1   34   14   16 o  190.479   43.513   0.5678   0.3469   0.4035   0.3684   1.8545   1.0309  129.047   45.093  251.911   74.432 -122.8639 87.02616 
1 1 1   34   14   18 o  187.220   43.597   0.7176   0.3675   0.6014   0.3962   1.4347   0.9839  149.580   46.551  224.861   73.729 -75.28087 87.19476 
1 1 1   34   14   20 o  261.034   40.009   1.0154   0.4377   0.5608   0.4711   3.8831   1.1834  148.533   51.046  373.534   61.621 -225.0018 80.01781 
1 1 1   34   14   22 o  298.635   50.695   2.6535   0.6103   2.6890   0.6631   2.4572   1.5600  317.350   40.642  279.920   92.888 37.43027 101.3904 
1 1 1   34   14   24 o  223.783   46.280   0.7619   0.4587   0.4022   0.4949   2.9552   1.2220  136.551   51.568  311.015   76.864 -174.4644 92.56023 
1 1 1   34   14   26 o  295.211   47.615   2.3818   0.7227   2.3818   0.7227   0.0000   0.0000  295.211   47.615  ?   ?       ?      ? 
1 1 1   34   14   28 o  185.049   50.498   0.8698   0.5915   1.0098   0.6373   0.0000   1.5891  187.454   59.151  182.644   81.862 4.809860 100.9961 
1 1 1   34   14   30 o  190.503   51.181   1.0515   0.5120   1.0515   0.5120   0.0000   0.0000  190.503   51.181  ?   ?       ?      ? 
1 1 1   34   14   32 o  236.161   39.340   1.5185   0.4777   1.5185   0.4777   0.0000   0.0000  236.161   39.340  ?   ?       ?      ? 
1 1 1   34   14   34 o  380.960   40.541   3.9967   0.7940   3.9967   0.7940   0.0000   0.0000  380.960   40.541  ?   ?       ?      ? 
1 1 1   34   15    1 o  167.026   47.336   0.3789   0.6331   0.8004   0.9201   0.0000   0.8724  187.736   70.438  146.316   63.257 41.42021 94.67297 
1 1 1   34   15    3 o  305.100   46.907   1.7922   0.5308   1.4446   0.5669   4.2632   1.5115  228.291   49.707  381.909   79.562 -153.6176 93.81308 
1 1 1   34   15    5 o  218.723   46.294   1.0992   0.4211   1.0022   0.4519   1.7392   1.1608  190.313   46.565  247.132   80.027 -56.81822 92.58852 
1 1 1   34   15    7 o  306.402   60.075   2.7745   0.9936   2.1441   1.3641   3.4871   1.4503  270.500   86.666  342.304   83.218 -71.80365 120.1507 
1 1 1   34   15    9 o  363.331   49.067   3.6500   0.7808   3.5586   0.9005   3.9270   1.5675  364.699   48.028  361.962   85.578 2.736298 98.13434 
1 1 1   34   15   11 f  407.144   46.840   4.4311   0.9805   4.4311   0.9805   0.0000   0.0000  407.144   46.840  ?   ?       ?      ? 
1 1 1   34   15   13 o  510.383   46.420   5.9456   1.0159   5.0381   1.1263   9.9079   2.3533  432.422   50.659  588.344   77.800 -155.9211 92.83997 
1 1 1   34   15   15 o  310.141   49.670   2.1518   0.6438   1.7040   0.7109   4.1934   1.5178  245.216   57.400  375.065   81.077 -129.8488 99.33929 
1 1 1   34   15   17 o  231.027   51.307   1.5062   0.6192   1.5246   0.7069   1.4454   1.2837  231.095   59.226  230.959   83.798 0.1362305 102.6148 
1 1 1   34   15   19 o  146.152   39.438   0.4740   0.3253   0.5356   0.3458   0.0000   0.9593  141.108   43.422  151.196   65.848 -10.08867 78.87606 
1 1 1   34   15   21 o  466.642   59.679   6.8480   1.1676   7.1262   1.3458   6.0009   2.3481  511.182   51.209  422.102  107.815 89.08020 119.3580 
1 1 1   34   15   23 o  175.329   43.163   0.8496   0.4147   0.9653   0.4420   0.0000   1.1977  185.316   46.476  165.342   72.747 19.97362 86.32585 
1 1 1   34   15   25 o  341.891   41.604   3.1475   0.7313   3.1475   0.7313   0.0000   0.0000  341.891   41.604  ?   ?       ?      ? 
1 1 1   34   15   27 o  331.456   57.629   2.9022   0.7770   2.5682   0.8490   4.6263   1.9289  297.749   57.541  365.164   99.867 -67.41537 115.2582 
1 1 1   34   15   29 o  238.237   46.003   1.9590   0.6011   2.2939   0.6672   0.5163   1.3846  289.178   44.877  187.296   80.319 101.8819 92.00562 
1 1 1   34   15   31 o  193.734   48.919   1.0199   0.5085   1.0148   0.5524   1.0480   1.3017  185.992   54.351  201.477   81.354 -15.48543 97.83869 
1 1 1   34   15   33 o  223.401   52.962   1.4814   0.5990   1.4814   0.5990   0.0000   0.0000  223.401   52.962  ?   ?       ?      ? 
1 1 1   34   16    0 o  278.048  108.886   2.9119   1.4895   2.9119   1.4895   0.0000   0.0000  278.048  108.886  278.048  108.886 0.000000 0.000000 
1 1 1   34   16    2 o  420.537   61.965   5.4270   1.3970   8.8202   1.9940   2.1556   1.9579  563.257   68.857  277.816  103.041 285.4407 123.9303 
1 1 1   34   16    4 o  300.297   47.697   2.0487   0.5519   1.7986   0.5966   3.5309   1.4525  256.027   47.057  344.566   82.980 -88.53882 95.39446 
1 1 1   34   16    6 o  192.837   44.650   0.6166   0.3534   0.4770   0.3739   1.7861   1.0823  136.736   45.477  248.938   76.852 -112.2022 89.29935 
1 1 1   34   16    8 o  443.866   62.847   5.7949   1.4055   3.9659   1.8923   8.0453   2.0991  355.676   99.552  532.055   76.736 -176.3786 125.6939 
1 1 1   34   16   10 o  307.298   50.445   2.3399   0.6643   2.0265   0.7431   3.5876   1.4826  268.907   55.583  345.688   84.199 -76.78101 100.8905 
1 1 1   34   16   12 o  139.730   47.439   0.4925   0.4067   0.4925   0.4067   0.0000   0.0000  139.730   47.439  ?   ?       ?      ? 
1 1 1   34   16   14 f  194.439   49.102   0.9776   0.5301   1.0669   0.5748   0.4683   1.3720  195.086   54.958  193.793   81.387 1.293579 98.20490 
1 1 1   34   16   16 o  391.347   45.896   3.0685   0.7576   2.1609   0.8354   7.2680   1.7970  275.061   60.703  507.633   68.854 -232.5723 91.79128 
1 1 1   34   16   18 o  239.313   52.943   1.7543   0.7176   2.0096   0.8301   0.9992   1.4275  264.024   62.179  214.603   85.706 49.42076 105.8854 
1 1 1   34   16   20 o  234.137   47.818   1.5752   0.5431   1.5888   0.6128   1.5254   1.1726  237.308   51.687  230.965   80.465 6.342743 95.63579 
1 1 1   34   16   22 o  239.500   65.935   1.6897   0.8376   1.6897   0.8376   0.0000   0.0000  239.500   65.935  ?   ?       ?      ? 
1 1 1   34   16   24 o  188.080   44.537   0.9936   0.4240   0.9936   0.4240   0.0000   0.0000  188.080   44.537  ?   ?       ?      ? 
1 1 1   34   16   26 o  390.354   46.700   3.4534   0.6698   3.0265   0.7188   6.2674   1.8455  334.562   41.789  446.145   83.529 -111.5833 93.39961 
1 1 1   34   16   28 f  243.343   53.307   1.9438   0.7808   2.4112   0.9633   1.0484   1.3332  281.282   67.476  205.404   82.545 75.87750 106.6142 
1 1 1   34   16   30 o  175.557   43.757   0.7247   0.3621   0.6784   0.3859   1.0646   1.0459  154.829   45.483  196.286   74.766 -41.45615 87.51344 
1 1 1   34   16   32 o  166.717   46.966   0.5178   0.4284   0.4410   0.4567   1.0807   1.2366  134.558   49.794  198.876   79.649 -64.31770 93.93259 
1 1 1   34   17    1 o  435.922   63.981   5.7415   1.4128   7.1449   1.9924   4.3220   2.0038  501.471   77.278  370.374  101.991 131.0965 127.9611 
1 1 1   34   17    3 o  302.181   61.801   2.7487   1.0596   3.6534   1.4760   1.7867   1.5220  350.078   83.226  254.284   91.384 95.79341 123.6029 
1 1 1   34   17    5 o  343.326   54.132   3.7601   0.7416   3.9644   0.8124   2.7383   1.8169  386.970   40.834  299.682  100.268 87.28760 108.2637 
1 1 1   34   17    7 f  301.356   51.457   2.3681   0.6756   2.1477   0.7592   3.2063   1.4804  277.205   55.211  325.506   86.852 -48.30032 102.9146 
1 1 1   34   17    9 o  383.731   60.685   4.6031   1.2929   7.1459   1.7906   1.8337   1.8687  505.410   68.912  262.052   99.908 243.3579 121.3694 
1 1 1   34   17   11 o  227.422   51.315   1.4465   0.5857   1.4465   0.5857   0.0000   0.0000  227.422   51.315  ?   ?       ?      ? 
1 1 1   34   17   13 o  326.336   53.772   2.5639   0.7032   2.2429   0.7675   4.2430   1.7556  283.026   54.726  369.646   92.579 -86.62003 107.5440 
1 1 1   34   17   15 o  572.327   49.314   8.5182   1.2018   7.9558   1.3472   10.710   2.6594  543.445   48.218  601.209   86.038 -57.76477 98.62794 
1 1 1   34   17   17 o  267.962   49.435   2.0348   0.5618   2.0390   0.6107   2.0118   1.4325  276.142   43.017  259.781   89.021 16.36102 98.86969 
1 1 1   34   17   19 o  234.740   85.260   1.5486   1.3294   0.0000   0.0000   1.5486   1.3294  ?   ?   234.740   85.260      ?      ? 
1 1 1   34   17   21 o  196.180   44.356   1.0751   0.4369   1.0751   0.4369   0.0000   0.0000  196.180   44.356  ?   ?       ?      ? 
1 1 1   34   17   23 o  202.092   46.208   1.0771   0.4078   1.0790   0.4309   1.0605   1.2640  196.347   43.796  207.836   81.380 -11.48886 92.41692 
1 1 1   34   17   25 o  186.940   45.200   0.9268   0.3752   0.9600   0.3906   0.5316   1.3484  185.134   42.004  188.747   80.048 -3.612976 90.39982 
1 1 1   34   17   27 o  147.870   39.848   0.4515   0.3015   0.4407   0.3198   0.5380   0.9059  128.728   42.022  167.013   67.718 -38.28438 79.69621 
1 1 1   34   17   29 o  161.372   42.131   0.6906   0.4517   0.8677   0.5063   0.0000   0.9999  173.552   52.366  149.191   66.015 24.36133 84.26195 
1 1 1   34   17   31 o  325.170   50.226   2.9943   0.6111   2.8536   0.6599   3.8411   1.6192  323.161   39.718  327.178   92.267 -4.016876 100.4528 
1 1 1   34   17   33 o  151.477   39.612   0.6114   0.3289   0.6767   0.3461   0.0000   1.0589  153.539   42.428  149.415   66.906 4.124222 79.22459 
1 1 1   34   18    0 o  493.389   99.697   7.4135   2.2402   0.0000   0.0000   7.4135   2.2402  493.389   99.697  493.389   99.697 -0.000000 0.000000 
1 1 1   34   18    2 o  283.362   60.524   2.3624   0.9494   2.1040   1.2540   2.7092   1.4530  267.339   82.757  299.385   88.340 -32.04572 121.0489 
1 1 1   34   18    4 o  347.757   64.984   3.7029   1.1826   3.2845   1.6382   4.1583   1.7090  326.587   93.058  368.927   90.731 -42.34082 129.9689 
1 1 1   34   18    6 o  472.547   43.884   5.1952   0.9411   4.2560   1.0688   8.4345   1.9849  396.927   52.374  548.167   70.429 -151.2394 87.76883 
1 1 1   34   18    8 f  305.259   50.531   2.4424   0.6778   2.2035   0.7677   3.2867   1.4433  280.622   55.179  329.897   84.669 -49.27524 101.0623 
1 1 1   34   18   10 o  593.284   76.023   10.061   2.3189   10.061   2.3189   0.0000   0.0000  593.284   76.023  ?   ?       ?      ? 
1 1 1   34   18   12 o  329.807   47.241   2.9209   0.8010   2.9209   0.8010   0.0000   0.0000  329.807   47.241  ?   ?       ?      ? 
1 1 1   34   18   14 o  266.520   54.227   1.8766   0.6260   1.7722   0.6809   2.4468   1.5915  250.674   54.397  282.365   93.826 -31.69131 108.4547 
1 1 1   34   18   16 o  242.493   52.985   1.2032   0.6539   0.6963   0.7389   3.0335   1.4042  171.207   63.342  313.778   84.957 -142.5718 105.9707 
1 1 1   34   18   18 o  405.005   50.370   4.4647   1.0488   4.4647   1.0488   0.0000   0.0000  405.005   50.370  ?   ?       ?      ? 
1 1 1   34   18   20 o  204.369   54.392   1.1930   0.5816   1.1930   0.5816   0.0000   0.0000  204.369   54.392  ?   ?       ?      ? 
1 1 1   34   18   22 o  248.536   47.669   1.9872   0.5161   2.1081   0.5493   1.0782   1.5064  280.971   38.027  216.101   87.427 64.87000 95.33881 
1 1 1   34   18   24 o  290.366   48.509   1.5888   0.4989   1.2714   0.5270   4.3316   1.5489  211.167   49.415  369.564   83.492 -158.3967 97.01894 
1 1 1   34   18   26 o  209.350   46.317   1.3603   0.4700   1.4607   0.4982   0.5471   1.4176  228.144   44.069  190.555   81.481 37.58810 92.63471 
1 1 1   34   18   28 o  314.665   54.663   3.0299   0.7552   2.9583   0.8416   3.3259   1.7116  325.055   50.360  304.276   97.037 20.77908 109.3261 
1 1 1   34   18   30 o  258.191   45.240   2.5260   0.6139   2.9618   0.6785   0.5571   1.4421  329.236   40.081  187.146   81.118 142.0902 90.48035 
1 1 1   34   18   32 o  217.181   46.366   0.8133   0.3672   0.6189   0.3845   2.8282   1.2379  147.575   45.846  286.787   80.607 -139.2125 92.73248 
1 1 1   34   19    1 o  470.361   65.279   6.7253   1.5395   7.4882   2.1238   5.8808   2.2347  509.408   81.094  431.314  102.319 78.09476 130.5581 
1 1 1   34   19    3 o  324.870   59.216   3.1929   1.0671   1.7035   1.5116   4.6727   1.5067  249.324   90.859  400.417   75.966 -151.0932 118.4321 
1 1 1   34   19    5 o  501.024   65.488   7.4769   1.6352   5.8140   2.1970   9.5420   2.4483  429.111  101.225  572.936   83.116 -143.8252 130.9758 
1 1 1   34   19    7 o  358.189   49.494   3.4536   0.9115   3.4536   0.9115   0.0000   0.0000  358.189   49.494  ?   ?       ?      ? 
1 1 1   34   19    9 o  487.748   48.229   6.3958   1.2094   6.3958   1.2094   0.0000   0.0000  487.748   48.229  ?   ?       ?      ? 
1 1 1   34   19   11 o  275.120   63.448   2.1769   0.8791   2.1769   0.8791   0.0000   0.0000  275.120   63.448  ?   ?       ?      ? 
1 1 1   34   19   13 o  147.896   51.544   0.5459   0.4812   0.5459   0.4812   0.0000   0.0000  147.896   51.544  ?   ?       ?      ? 
1 1 1   34   19   15 o  167.722   54.103   0.7610   0.5309   0.7610   0.5309   0.0000   0.0000  167.722   54.103  ?   ?       ?      ? 
1 1 1   34   19   17 o  159.316   53.372   0.6706   0.5148   0.6706   0.5148   0.0000   0.0000  159.316   53.372  ?   ?       ?      ? 
1 1 1   34   19   19 o  263.390   52.857   1.6517   0.6587   1.2094   0.7450   3.2358   1.4099  205.306   63.823  321.475   84.274 -116.1691 105.7139 
1 1 1   34   19   21 o  243.212   46.993   1.9774   0.6309   2.3491   0.7082   0.5478   1.3890  293.756   46.894  192.669   81.453 101.0872 93.98700 
1 1 1   34   19   23 o  207.791   49.049   0.9868   0.4172   0.9165   0.4383   1.6643   1.3606  179.850   46.908  235.732   86.157 -55.88211 98.09863 
1 1 1   34   19   25 o  213.266   50.262   0.8781   0.3802   0.7802   0.3937   2.2275   1.4619  166.095   44.993  260.438   89.893 -94.34241 100.5243 
1 1 1   34   19   27 o  275.919   50.128   2.3303   0.5561   2.3418   0.5959   2.2524   1.5466  293.985   39.425  257.853   92.178 36.13184 100.2553 
1 1 1   34   19   29 o  219.403   45.856   0.8740   0.4620   0.4941   0.5043   2.8563   1.1520  141.638   52.343  297.168   75.307 -155.5304 91.71112 
1 1 1   34   19   31 o  148.716   41.625   0.4575   0.3722   0.4364   0.4045   0.5741   0.9505  130.982   47.106  166.449   68.642 -35.46703 83.25060 
1 1 1   34   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   20    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   20    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   20    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   20    8 o  334.075   57.461   3.1289   0.8941   2.8319   1.0448   3.9415   1.7283  313.163   66.925  354.988   93.424 -41.82495 114.9223 
1 1 1   34   20   10 o  256.974   57.638   1.8500   0.7311   1.8227   0.8076   1.9740   1.7213  251.586   62.670  262.363   96.752 -10.77715 115.2753 
1 1 1   34   20   12 o  169.710   55.411   0.7746   0.5560   0.7746   0.5560   0.0000   0.0000  169.710   55.411  ?   ?       ?      ? 
1 1 1   34   20   14 o  141.658   47.002   0.5222   0.3994   0.5222   0.3994   0.0000   0.0000  141.658   47.002  ?   ?       ?      ? 
1 1 1   34   20   16 o  152.012   43.794   0.4191   0.3705   0.4596   0.3880   0.0000   1.2486  134.960   46.324  169.065   74.335 -34.10434 87.58756 
1 1 1   34   20   18 o  274.802   48.902   2.7595   0.6560   3.1394   0.7100   0.5430   1.7150  342.536   40.316  207.068   89.108 135.4681 97.80364 
1 1 1   34   20   20 o  193.007   44.079   1.0712   0.4167   1.1435   0.4450   0.5558   1.1879  202.152   44.063  183.862   76.355 18.28914 88.15708 
1 1 1   34   20   22 o  155.665   43.590   0.5064   0.3285   0.5392   0.3390   0.0000   1.3303  140.406   42.954  170.924   75.863 -30.51808 87.17913 
1 1 1   34   20   24 o  330.708   51.128   2.6056   0.6070   2.3395   0.6469   4.5671   1.7564  293.278   42.902  368.138   92.820 -74.86060 102.2554 
1 1 1   34   20   26 o  218.400   48.685   1.0008   0.4036   0.8692   0.4236   2.2912   1.3266  174.363   46.430  262.438   85.587 -88.07471 97.36990 
1 1 1   34   20   28 o  163.696   43.689   0.7047   0.4624   0.8430   0.5058   0.0000   1.1415  170.793   52.507  156.599   69.842 14.19370 87.37754 
1 1 1   34   20   30 o  148.111   42.471   0.4037   0.3635   0.3793   0.3875   0.5822   1.0479  125.091   45.940  171.130   71.446 -46.03896 84.94128 
1 1 1   34   21    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   21    3 o  306.358   95.186   2.9288   1.6573   0.0000   0.0000   2.9288   1.6573  ?   ?   306.358   95.186      ?      ? 
1 1 1   34   21    5 o  418.437   95.766   5.4832   2.0157   0.0000   0.0000   5.4832   2.0157  ?   ?   418.437   95.766      ?      ? 
1 1 1   34   21    7 o  239.502   52.377   1.2089   0.5033   1.0416   0.5345   2.5187   1.4954  192.618   52.526  286.385   90.633 -93.76672 104.7536 
1 1 1   34   21    9 o  156.111   43.869   0.4842   0.3908   0.5404   0.4129   0.0000   1.2123  144.154   47.783  168.067   73.585 -23.91295 87.73833 
1 1 1   34   21   11 o  300.159   58.930   2.9081   1.0138   3.8083   1.3015   1.5193   1.6166  359.726   72.871  240.592   92.633 119.1345 117.8604 
1 1 1   34   21   13 o  148.391   50.229   0.5692   0.4560   0.5692   0.4560   0.0000   0.0000  148.391   50.229  ?   ?       ?      ? 
1 1 1   34   21   15 o  424.534   63.513   5.6721   1.3302   5.9071   1.6931   5.2932   2.1501  451.406   72.952  397.661  103.989 53.74503 127.0261 
1 1 1   34   21   17 o  357.141   56.935   4.4765   0.8893   4.9105   0.9936   2.7296   1.9933  426.054   45.361  288.229  104.444 137.8252 113.8695 
1 1 1   34   21   19 o  205.584   46.961   1.3091   0.6099   1.6917   0.6934   0.0000   1.2826  241.872   56.738  169.296   74.847 72.57553 93.92138 
1 1 1   34   21   21 o  190.419   46.410   0.8866   0.4177   0.8494   0.4469   1.1445   1.1761  173.189   48.343  207.648   79.238 -34.45950 92.82090 
1 1 1   34   21   23 o  213.385   44.190   1.4278   0.4524   1.5423   0.4819   0.5800   1.3118  239.207   39.188  187.564   79.217 51.64243 88.38064 
1 1 1   34   21   25 o  175.495   46.115   0.6113   0.3290   0.5720   0.3405   1.1658   1.2774  143.349   42.877  207.642   81.657 -64.29314 92.22977 
1 1 1   34   21   27 o  223.583   51.085   0.8707   0.3980   0.7131   0.4128   2.9464   1.4982  158.223   47.186  288.943   90.622 -130.7196 102.1707 
1 1 1   34   21   29 o  329.586   44.317   2.3687   0.6581   1.3965   0.7416   5.9696   1.4272  212.275   63.227  446.897   62.116 -234.6220 88.63403 
1 1 1   34   22    0 o  185.490   99.117   1.4305   1.2900   0.0000   0.0000   1.4305   1.2900  185.490   99.117  185.490   99.117 -0.000000 0.000000 
1 1 1   34   22    2 o  152.154   45.032   0.1775   0.5716   0.0000   0.7144   0.4932   0.9529  132.323   57.224  171.986   69.549 -39.66318 90.06474 
1 1 1   34   22    4 o  419.165   66.389   5.4301   1.3968   4.5066   1.8850   6.5550   2.0803  376.546   96.825  461.783   90.857 -85.23776 132.7786 
1 1 1   34   22    6 o  189.864   51.584   0.5476   0.7134   0.0000   0.8883   1.5422   1.1972  146.142   63.506  233.585   81.307 -87.44263 103.1685 
1 1 1   34   22    8 o  202.096   50.283   0.8861   0.4996   0.7709   0.5413   1.5492   1.2984  168.901   54.645  235.291   84.423 -66.39026 100.5653 
1 1 1   34   22   10 o  579.388   47.362   8.1500   1.2058   7.0382   1.3538   12.418   2.6524  508.155   51.819  650.621   79.293 -142.4658 94.72395 
1 1 1   34   22   12 o  348.484   46.205   2.1172   0.6706   1.2599   0.7299   6.7613   1.6988  209.594   62.794  487.375   67.797 -277.7814 92.40952 
1 1 1   34   22   14 o  361.106   56.055   4.8164   0.9383   5.6016   1.0666   2.1298   1.9731  455.384   45.558  266.828  102.437 188.5562 112.1106 
1 1 1   34   22   16 o  366.510   54.921   3.5945   0.8301   3.2878   0.9201   4.9352   1.9240  345.863   51.746  387.157   96.890 -41.29355 109.8422 
1 1 1   34   22   18 o  316.085   55.082   2.8614   0.7556   2.7376   0.8394   3.3901   1.7351  314.912   51.848  317.257   97.201 -2.345703 110.1648 
1 1 1   34   22   20 o  336.523   57.758   4.0368   0.9761   4.6035   1.1258   2.3210   1.9590  406.157   53.914  266.889  102.163 139.2681 115.5161 
1 1 1   34   22   22 o  162.743   44.038   0.5851   0.3928   0.5845   0.4206   0.5889   1.0975  146.919   48.208  178.568   73.712 -31.64835 88.07602 
1 1 1   34   22   24 o  181.113   40.223   1.0385   0.3834   1.1751   0.4078   0.0000   1.1244  205.129   40.108  157.098   69.735 48.03079 80.44632 
1 1 1   34   22   26 o  166.325   43.007   0.6780   0.3474   0.6863   0.3653   0.5994   1.1252  155.427   43.821  177.222   74.016 -21.79515 86.01498 
1 1 1   34   22   28 o  221.928   45.807   1.5130   0.4529   1.5516   0.4811   1.2126   1.3412  238.096   39.304  205.760   82.755 32.33577 91.61484 
1 1 1   34   23    1 o  191.131   52.158   0.6359   0.7587   1.4446   1.1435   0.0000   1.0140  227.209   79.442  155.053   67.608 72.15601 104.3162 
1 1 1   34   23    3 o  343.978   63.429   3.6808   1.2311   1.8650   1.7167   5.6032   1.7664  256.640   96.227  431.316   82.664 -174.6762 126.8579 
1 1 1   34   23    5 o  269.041   61.289   2.1582   0.9605   1.8216   1.2742   2.6010   1.4616  248.696   83.966  289.387   89.304 -40.69084 122.5783 
1 1 1   34   23    7 o  266.205   60.577   2.1543   0.9356   2.1861   1.2224   2.1094   1.4538  268.464   81.453  263.946   89.685 4.517822 121.1532 
1 1 1   34   23    9 o  409.768   59.066   4.6993   1.0088   4.4162   1.1290   5.8207   2.2469  400.797   54.792  418.739  104.658 -17.94135 118.1327 
1 1 1   34   23   11 o  262.507   51.596   2.1601   0.6622   2.3066   0.7426   1.5915   1.4629  286.603   52.329  238.411   88.940 48.19189 103.1924 
1 1 1   34   23   13 o  268.508   54.053   2.0467   0.7204   2.0467   0.7204   0.0000   0.0000  268.508   54.053  ?   ?       ?      ? 
1 1 1   34   23   15 o  130.422   38.258   0.2611   0.3033   0.2933   0.3215   0.0000   0.9149  114.315   41.867  146.530   64.046 -32.21503 76.51617 
1 1 1   34   23   17 o  215.841   49.186   0.9416   0.4631   0.7374   0.4974   2.2710   1.2692  163.565   52.326  268.117   83.300 -104.5515 98.37135 
1 1 1   34   23   19 o  323.418   42.532   1.7216   0.5969   0.7947   0.6531   6.4255   1.4713  171.914   60.042  474.921   60.257 -303.0076 85.06409 
1 1 1   34   23   21 o  177.420   44.937   0.8106   0.4051   0.8381   0.4305   0.5971   1.1984  171.648   47.275  183.191   76.436 -11.54366 89.87441 
1 1 1   34   23   23 o  143.284   43.097   0.1323   0.4677   0.0000   0.5290   0.6058   1.0008  112.921   49.037  173.647   70.885 -60.72571 86.19350 
1 1 1   34   23   25 o  247.936   48.928   1.5995   0.4711   1.4867   0.5012   2.4549   1.3804  229.001   44.172  266.870   87.319 -37.86925 97.85560 
1 1 1   34   23   27 o  190.733   45.812   0.9307   0.3794   0.8991   0.3987   1.2328   1.2341  176.713   44.043  204.754   80.344 -28.04088 91.62423 
1 1 1   34   24    0 o  275.362  112.131   2.9857   1.5593   2.9857   1.5593   0.0000   0.0000  275.362  112.131  275.362  112.131 0.000000 0.000000 
1 1 1   34   24    2 o  257.616   57.949   1.8972   0.9131   2.8900   1.3335   1.0208   1.2529  306.626   82.694  208.607   81.204 98.01935 115.8980 
1 1 1   34   24    4 o  199.935   52.356   0.9665   0.7339   1.4129   1.0412   0.5258   1.0345  222.879   75.899  176.991   72.138 45.88800 104.7121 
1 1 1   34   24    6 o  208.797   52.695   0.8381   0.7667   0.0000   0.9823   2.1445   1.2264  152.247   66.459  265.346   81.793 -113.0986 105.3891 
1 1 1   34   24    8 o  183.427   56.514   0.9417   0.5856   0.9417   0.5856   0.0000   0.0000  183.427   56.514  ?   ?       ?      ? 
1 1 1   34   24   10 o  154.006   42.703   0.5045   0.4167   0.5936   0.4520   0.0000   1.0755  150.044   50.011  157.968   69.233 -7.924088 85.40660 
1 1 1   34   24   12 o  475.339  105.597   7.6201   2.5135   0.0000   0.0000   7.6201   2.5135  ?   ?   475.339  105.597      ?      ? 
1 1 1   34   24   14 o  175.831   45.102   0.7656   0.4142   0.7953   0.4424   0.5546   1.1776  168.351   48.482  183.310   76.067 -14.95953 90.20380 
1 1 1   34   24   16 o  236.953   48.392   0.8557   0.4763   0.5011   0.5081   3.4216   1.3670  144.318   52.665  329.588   81.199 -185.2710 96.78313 
1 1 1   34   24   18 o  240.554   49.670   1.8666   0.6064   2.0231   0.6715   1.1746   1.4118  266.734   50.826  214.374   85.353 52.36035 99.33965 
1 1 1   34   24   20 o  294.504   58.760   2.9302   0.8743   3.0798   0.9927   2.4135   1.8456  322.761   62.077  266.247   99.785 56.51453 117.5190 
1 1 1   34   24   22 o  166.892   42.278   0.6932   0.3455   0.7027   0.3657   0.6145   1.0537  157.585   43.646  176.198   72.422 -18.61292 84.55692 
1 1 1   34   24   24 o  209.205   48.271   1.2213   0.4390   1.2188   0.4609   1.2461   1.4412  206.609   44.692  211.801   85.574 -5.191559 96.54207 
1 1 1   34   24   26 o  157.277   46.543   0.4122   0.4716   0.3772   0.5080   0.6314   1.2695  132.727   51.694  181.826   77.412 -49.09863 93.08543 
1 1 1   34   25    1 o  192.303   51.242   0.7544   0.7422   1.5076   1.0491   0.0000   1.0500  227.945   76.193  156.661   68.540 71.28429 102.4849 
1 1 1   34   25    3 o  481.046   68.543   7.3767   1.6627   5.8418   2.3099   9.0273   2.3954  415.176  107.403  546.915   85.189 -131.7395 137.0856 
1 1 1   34   25    5 o  252.849   56.652   1.6408   0.9099   0.4757   1.1940   3.2540   1.4050  182.428   76.223  323.270   83.833 -140.8419 113.3042 
1 1 1   34   25    7 o  231.108   56.388   1.4827   0.8790   2.2859   1.1996   0.5515   1.2916  272.546   80.223  189.671   79.264 82.87488 112.7765 
1 1 1   34   25    9 o  427.318   58.543   5.3493   1.1075   5.0953   1.2822   6.0953   2.1977  426.950   58.412  427.687  101.475 -0.7371521 117.0857 
1 1 1   34   25   11 o  214.531   52.149   0.9370   0.5511   0.6882   0.6021   2.2226   1.3687  163.274   57.604  265.787   86.949 -102.5134 104.2989 
1 1 1   34   25   13 o  358.658   57.185   3.6951   0.8475   3.5221   0.9373   4.4705   1.9842  357.484   50.996  359.833  102.372 -2.348633 114.3705 
1 1 1   34   25   15 o  281.996   55.624   2.0237   0.6675   1.7508   0.7290   3.4395   1.6605  244.593   58.715  319.400   94.491 -74.80690 111.2474 
1 1 1   34   25   17 o  231.910   50.379   1.5137   0.5501   1.4613   0.6037   1.7699   1.3357  224.812   53.084  239.008   85.640 -14.19530 100.7575 
1 1 1   34   25   19 o  214.874   49.334   1.4510   0.5671   1.5898   0.6119   0.6070   1.5087  234.509   52.109  195.240   83.786 39.26852 98.66838 
1 1 1   34   25   21 o  319.029   52.521   2.8553   0.6505   2.7043   0.7040   3.7366   1.7007  313.932   43.621  324.126   95.556 -10.19321 105.0413 
1 1 1   34   25   23 o  187.676   43.037   1.0348   0.3859   1.0846   0.4091   0.6321   1.1631  195.651   41.931  179.701   75.169 15.94949 86.07346 
1 1 1   34   25   25 o  264.690   49.215   2.0299   0.6451   2.0299   0.6451   0.0000   0.0000  264.690   49.215  ?   ?       ?      ? 
1 1 1   34   26    0 o  162.956   94.119   1.0376   1.2754   0.0000   0.0000   1.0376   1.2754  162.956   94.119  162.956   94.119 -0.000000 0.000000 
1 1 1   34   26    2 o  208.462   56.742   0.9949   0.8720   0.5026   1.1765   1.5950   1.2989  182.147   75.845  234.778   84.416 -52.63074 113.4834 
1 1 1   34   26    4 o  272.984   64.062   2.3375   1.0559   1.9663   1.4646   2.7393   1.5237  254.102   89.822  291.867   91.366 -37.76576 128.1240 
1 1 1   34   26    6 f  329.840   67.492   3.6238   1.2039   3.7922   1.5332   3.3531   1.9441  346.000   86.439  313.680  103.676 32.32074 134.9830 
1 1 1   34   26    8 o  281.955   59.685   2.5330   1.0329   3.6792   1.3925   1.1311   1.5400  344.669   80.105  219.242   88.501 125.4278 119.3701 
1 1 1   34   26   10 o  284.126   60.118   2.3859   0.8077   2.2835   0.8943   2.8390   1.8811  278.196   63.875  290.056  101.865 -11.86053 120.2355 
1 1 1   34   26   12 o  173.726   50.483   0.3378   0.6763   0.0000   0.8063   1.1394   1.2421  137.891   60.202  209.561   81.054 -71.67021 100.9652 
1 1 1   34   26   14 o  316.151   57.352   2.8846   0.8979   2.8846   0.8979   0.0000   0.0000  316.151   57.352  ?   ?       ?      ? 
1 1 1   34   26   16 f  293.067   57.048   2.3481   0.7208   2.1009   0.7912   3.5559   1.7488  267.221   59.150  318.913   97.567 -51.69101 114.0962 
1 1 1   34   26   18 o  326.824   55.890   2.9755   0.7553   2.7028   0.8311   4.2696   1.8105  305.751   54.889  347.898   97.376 -42.14737 111.7805 
1 1 1   34   26   20 o  292.657   58.757   2.2608   0.9384   1.0983   1.1191   5.0145   1.7223  199.824   77.035  385.490   88.741 -185.6658 117.5131 
1 1 1   34   26   22 o  148.470   41.492   0.4162   0.3235   0.3898   0.3421   0.6406   0.9963  123.813   43.442  173.127   70.705 -49.31378 82.98416 
1 1 1   34   26   24 o  166.505   57.008   0.7921   0.5874   0.7921   0.5874   0.0000   0.0000  166.505   57.008  ?   ?       ?      ? 
1 1 1   34   27    1 o  208.326   51.944   0.9715   0.7708   2.0957   1.1321   0.0000   1.0525  260.886   78.216  155.766   68.373 105.1201 103.8871 
1 1 1   34   27    3 o  453.113   66.596   6.6115   1.5316   5.0769   2.1169   8.2973   2.2188  383.845  104.473  522.382   82.615 -138.5371 133.1911 
1 1 1   34   27    5 o  364.618   65.896   4.5557   1.3139   5.9562   1.7672   2.8245   1.9647  439.788   81.147  289.448  103.848 150.3398 131.7926 
1 1 1   34   27    7 o  330.325   60.005   2.6956   1.1843   0.4773   1.4634   6.9048   2.0159  192.874   82.638  467.775   87.024 -274.9014 120.0095 
1 1 1   34   27    9 o  233.918   56.445   1.1482   0.6862   0.7356   0.7628   2.8988   1.5712  172.407   64.241  295.429   92.829 -123.0223 112.8899 
1 1 1   34   27   11 o  237.451   53.847   1.6715   0.6789   1.6488   0.7763   1.7454   1.3996  235.503   62.921  239.398   87.400 -3.894501 107.6934 
1 1 1   34   27   13 o  271.090   56.458   1.8232   0.6914   1.4540   0.7635   3.5066   1.6304  220.766   63.722  321.414   93.217 -100.6478 112.9156 
1 1 1   34   27   15 o  256.894   54.878   2.1091   0.7076   2.1811   0.7830   1.7882   1.6530  272.878   57.621  240.910   93.414 31.96800 109.7554 
1 1 1   34   27   17 o  242.926   52.923   1.8072   0.6474   1.7995   0.7250   1.8377   1.4386  246.345   58.175  239.507   88.425 6.837860 105.8462 
1 1 1   34   27   19 f  267.504   56.884   1.8553   0.7621   1.2648   0.8712   3.7809   1.5732  204.695   69.427  330.314   90.129 -125.6196 113.7689 
1 1 1   34   27   21 o  172.999   50.852   0.8709   0.4823   0.8709   0.4823   0.0000   0.0000  172.999   50.852  ?   ?       ?      ? 
1 1 1   34   27   23 o  131.971   45.683   0.4611   0.3777   0.4611   0.3777   0.0000   0.0000  131.971   45.683  ?   ?       ?      ? 
1 1 1   34   28    0 o  164.569   95.462   1.0808   1.3209   1.0808   1.3209   0.0000   0.0000  164.569   95.462  164.569   95.462 0.000000 0.000000 
1 1 1   34   28    2 o  173.001   48.760   0.4745   0.6684   0.0000   0.8844   1.1068   1.0209  143.775   62.902  202.227   74.521 -58.45288 97.51962 
1 1 1   34   28    4 o  313.994   59.506   2.9837   1.1830   5.6371   1.7142   0.5704   1.6348  425.950   81.241  202.039   86.971 223.9105 119.0125 
1 1 1   34   28    6 o  437.511   70.021   6.3557   1.5325   5.4380   2.0319   7.5665   2.3339  399.701   99.316  475.321   98.731 -75.61935 140.0410 
1 1 1   34   28    8 o  427.192   70.770   6.4021   1.5335   7.1990   2.0206   5.3196   2.3549  476.433   85.639  377.950  112.692 98.48285 141.5398 
1 1 1   34   28   10 o  491.086   57.047   5.7276   1.2428   3.8043   1.4087   12.478   2.6391  346.415   80.612  635.756   80.741 -289.3403 114.0941 
1 1 1   34   28   12 o  343.206   90.536   3.9556   1.6206   3.9556   1.6206   0.0000   0.0000  343.206   90.536  ?   ?       ?      ? 
1 1 1   34   28   14 o  243.357   56.495   1.7409   0.6933   1.7409   0.6933   0.0000   0.0000  243.357   56.495  ?   ?       ?      ? 
1 1 1   34   28   16 o  257.353   57.801   1.6262   0.7826   0.9902   0.8949   3.6932   1.6132  189.037   69.752  325.670   92.188 -136.6335 115.6028 
1 1 1   34   28   18 o  190.869   64.086   1.0763   0.7422   1.0763   0.7422   0.0000   0.0000  190.869   64.086  ?   ?       ?      ? 
1 1 1   34   28   20 o  259.256   82.297   2.2924   1.2322   2.2924   1.2322   0.0000   0.0000  259.256   82.297  ?   ?       ?      ? 
1 1 1   34   28   22 o  183.922   40.679   1.1151   0.3912   1.2455   0.4134   0.0000   1.2089  210.088   39.728  157.757   70.998 52.33102 81.35732 
1 1 1   34   29    1 o  276.168   64.060   2.4624   1.0889   1.6376   1.5140   3.3463   1.5673  235.699   89.912  316.637   91.272 -80.93819 128.1198 
1 1 1   34   29    3 o  223.409   59.673   1.4238   0.9494   1.0579   1.4275   1.7140   1.2712  210.340   85.102  236.477   83.672 -26.13692 119.3461 
1 1 1   34   29    5 o  234.206   61.360   1.6351   0.9655   1.5519   1.2390   1.7638   1.5407  227.714   82.370  240.698   90.968 -12.98401 122.7192 
1 1 1   34   29    7 o  198.089   77.148   0.9951   1.1313   0.9951   1.1313   0.0000   0.0000  198.089   77.148  ?   ?       ?      ? 
1 1 1   34   29    9 o  264.951   64.290   2.1123   0.8668   2.1123   0.8668   0.0000   0.0000  264.951   64.290  ?   ?       ?      ? 
1 1 1   34   29   11 o  213.596   62.200   1.3642   0.7246   1.3642   0.7246   0.0000   0.0000  213.596   62.200  ?   ?       ?      ? 
1 1 1   34   29   13 o  176.156   51.153   0.4692   0.6144   0.2791   0.6875   1.2228   1.3691  140.460   58.190  211.853   84.146 -71.39233 102.3069 
1 1 1   34   29   15 o  252.767   74.848   2.0505   1.0415   2.0505   1.0415   0.0000   0.0000  252.767   74.848  ?   ?       ?      ? 
1 1 1   34   29   17 o  138.539   50.189   0.4840   0.4602   0.4840   0.4602   0.0000   0.0000  138.539   50.189  ?   ?       ?      ? 
1 1 1   34   29   19 o  185.275   44.827   1.0801   0.5037   1.2728   0.5468   0.0000   1.2943  207.572   51.487  162.978   73.395 44.59416 89.65337 
1 1 1   34   29   21 o  204.660   50.678   0.6739   0.3392   0.5676   0.3481   2.6852   1.5139  141.652   43.561  267.668   91.518 -126.0160 101.3560 
1 1 1   34   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   30    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   30    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   30    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   30    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   30   10 o  332.184   71.314   3.6401   1.3567   2.1654   1.7017   6.2130   2.2477  253.606   95.661  410.761  105.792 -157.1551 142.6286 
1 1 1   34   30   12 o  184.772   77.994   0.6240   1.2704   0.0000   0.0000   0.6240   1.2704  ?   ?   184.772   77.994      ?      ? 
1 1 1   34   30   14 o  195.758   50.547   1.1206   0.6085   1.2324   0.6739   0.6272   1.4157  202.378   60.269  189.138   81.164 13.24013 101.0941 
1 1 1   34   30   16 o  209.490   52.438   1.1196   0.5618   0.9661   0.6135   1.9174   1.3984  181.018   58.133  237.963   87.289 -56.94481 104.8751 
1 1 1   34   30   18 o  269.794   52.092   2.6730   0.7726   3.0300   0.8681   1.3129   1.6943  324.973   51.959  214.616   90.303 110.3564 104.1842 
1 1 1   34   30   20 o  238.188   62.037   1.9995   0.9526   1.9904   1.1131   2.0243   1.8417  240.728   78.395  235.647   96.170 5.080872 124.0749 
1 1 1   34   31    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34   31    3 o  404.015  104.370   5.9400   2.1833   0.0000   0.0000   5.9400   2.1833  ?   ?   404.015  104.370      ?      ? 
1 1 1   34   31    5 o  148.543   65.629   0.0000   0.9846   0.0000   0.0000   0.0000   0.9846  ?   ?   148.543   65.629      ?      ? 
1 1 1   34   31    7 o  246.222   59.602   1.9866   0.9519   2.5904   1.2831   1.2474   1.4196  279.022   83.179  213.421   85.385 65.60120 119.2031 
1 1 1   34   31    9 o  281.161   66.492   2.8419   1.1314   3.0151   1.4128   2.5323   1.8891  297.041   86.954  265.281  100.616 31.75925 132.9836 
1 1 1   34   31   11 o  222.039   49.298   1.7004   0.7028   2.1678   0.7935   0.0000   1.5135  269.151   58.972  174.926   79.015 94.22472 98.59593 
1 1 1   34   31   13 o  199.667   53.139   1.0648   0.6077   1.0244   0.6624   1.2794   1.5275  185.908   60.470  213.425   87.398 -27.51628 106.2780 
1 1 1   34   31   15 o  157.530   45.591   0.5332   0.4907   0.6221   0.5300   0.0000   1.2983  151.969   54.002  163.091   73.471 -11.12152 91.18217 
1 1 1   34   31   17 o  203.342   51.341   1.2259   0.5924   1.2042   0.6578   1.3191   1.3626  198.200   59.666  208.484   83.567 -10.28391 102.6818 
1 1 1   34   32    0 o  164.199   90.991   1.1706   1.1282   0.0000   0.0000   1.1706   1.1282  164.199   90.991  164.199   90.991 -0.000000 0.000000 
1 1 1   34   32    2 o  203.173   54.945   1.1606   0.7926   1.1353   1.0324   1.1969   1.2368  199.577   74.665  206.769   80.629 -7.192139 109.8901 
1 1 1   34   32    4 o  225.314   56.983   1.5928   0.9024   2.2218   1.1572   0.6172   1.4413  260.122   79.325  190.506   81.827 69.61595 113.9658 
1 1 1   34   32    6 o  158.883   48.463   0.1997   0.6743   0.0000   0.8159   0.6300   1.1978  136.305   60.006  181.460   76.117 -45.15451 96.92524 
1 1 1   34   32    8 o  171.774   50.410   0.5636   0.7070   0.5206   0.8802   0.6418   1.1870  162.584   66.435  180.965   75.835 -18.38092 100.8193 
1 1 1   34   32   10 o  198.260   49.008   1.2095   0.5848   1.3472   0.6527   0.6492   1.3163  211.253   58.224  185.268   78.850 25.98549 98.01688 
1 1 1   34   32   12 o  253.462   59.164   2.2991   0.9612   2.8734   1.2074   1.3056   1.5882  293.083   78.540  213.841   88.504 79.24150 118.3280 
1 1 1   34   32   14 f  259.957   57.076   2.2016   0.7709   2.0619   0.8893   2.6239   1.5461  254.538   67.029  265.375   92.399 -10.83679 114.1514 
1 1 1   34   32   16 o  261.056   51.519   2.3287   0.7140   2.5022   0.8767   1.9868   1.2306  284.069   61.786  238.043   82.458 46.02632 103.0381 
1 1 1   34   33    1 o  192.969   52.503   0.8042   0.7839   0.0000   1.0517   1.8095   1.1758  151.155   67.253  234.783   80.644 -83.62871 105.0064 
1 1 1   34   33    3 o  222.125   57.775   1.4879   0.9258   2.2910   1.2836   0.6172   1.3365  259.018   84.176  185.232   79.159 73.78598 115.5493 
1 1 1   34   33    5 o  156.991   47.491   0.2722   0.6874   0.5604   0.9863   0.0000   0.9586  168.754   69.786  145.228   64.432 23.52551 94.98193 
1 1 1   34   33    7 o  232.056   62.304   1.6276   1.0013   1.0778   1.2540   2.5947   1.6631  199.171   80.051  264.940   95.494 -65.76993 124.6086 
1 1 1   34   33    9 o  255.474   63.512   2.3681   1.0477   2.6142   1.3411   1.9826   1.6785  272.360   85.791  238.588   93.675 33.77185 127.0240 
1 1 1   34   33   11 o  162.506   48.620   0.4555   0.4557   0.4350   0.4775   0.6656   1.5281  134.763   50.706  190.249   82.974 -55.48544 97.24095 
1 1 1   34   33   13 o  227.129   56.434   1.4233   0.7090   1.0643   0.8041   2.6768   1.5026  187.532   66.528  266.727   91.176 -79.19492 112.8671 
1 1 1   34   34    0 f  138.639   86.511   0.6087   1.2577   0.6087   1.2577   0.0000   0.0000  138.639   86.511  138.639   86.511 0.000000 0.000000 
1 1 1   34   34    2 o  173.937   49.435   0.5950   0.7079   0.0000   0.9802   1.2437   1.0234  145.835   64.905  202.040   74.585 -56.20441 98.87096 
1 1 1   34   34    4 o  296.878   66.517   3.3347   1.1775   4.0432   1.6224   2.5461   1.7116  333.735   91.720  260.020   96.361 73.71454 133.0336 
1 1 1   34   34    6 o  134.930   42.235   0.0000   0.5755   0.0000   0.8703   0.0000   0.7671  138.503   61.422  131.358   57.988 7.144333 84.47069 
1 1 1   34   34    8 o  283.668   65.934   2.7175   1.1245   1.6239   1.4041   4.6735   1.8778  221.301   86.016  346.034   99.951 -124.7321 131.8670 
1 1 1   34   34   10 o  133.185   42.841   0.0000   0.4588   0.0000   0.4938   0.0000   1.2415  107.961   47.125  158.409   71.559 -50.44791 85.68176 
1 1 1   34   35    1 o  194.921   52.642   1.0137   0.8124   1.8242   1.0899   0.0000   1.2188  232.186   77.659  157.657   71.090 74.52892 105.2836 
1 1 1   34   35    3 o  154.169   46.495   0.3174   0.6600   0.5954   0.9038   0.0000   0.9659  164.509   67.282  143.829   64.189 20.67969 92.98949 
1 1 1   35    0    1 o  257.055   71.094   2.4610   0.9124   2.7584   1.2683   2.1421   1.3135  280.703   97.380  233.407  103.607 -0.000000 0.000000 
1 1 1   35    0    3 o  427.255   72.028   5.9463   1.3525   4.2749   1.9806   7.4068   1.8513  342.559  122.956  511.951   75.061 0.000000 0.000000 
1 1 1   35    0    5 f  199.544   66.353   1.5893   0.7675   1.6686   0.9935   1.4721   1.2085  208.576   90.048  190.512   97.480 -0.000000 0.000000 
1 1 1   35    0    7 o  306.230   69.060   3.1568   0.9568   2.8345   1.2874   3.5545   1.4302  284.850   97.779  327.611   97.551 -0.000000 0.000000 
1 1 1   35    0    9 o  122.882   70.356   0.5302   0.7030   0.0000   0.0000   0.5302   0.7030  122.882   70.356  122.882   70.356 0.000000 0.000000 
1 1 1   35    0   11 o  199.052   86.339   1.5228   0.9129   1.5228   0.9129   0.0000   0.0000  199.052   86.339  199.052   86.339 -0.000000 0.000000 
1 1 1   35    0   13 o  239.341   86.502   2.0328   0.9762   0.0000   0.0000   2.0328   0.9762  239.341   86.502  239.341   86.502 0.000000 0.000000 
1 1 1   35    0   15 o  527.870   53.373   7.3176   1.2998   10.466   2.2423   5.7243   1.5951  611.538   74.233  444.201   76.709 0.000000 0.000000 
1 1 1   35    0   17 o  289.638   69.455   2.9153   0.8984   2.8607   1.1036   3.0226   1.5470  297.643   83.336  281.634  111.136 -0.000000 0.000000 
1 1 1   35    0   19 o  223.760   66.209   1.9548   0.7604   1.7275   1.4111   2.0479   0.9026  202.703  104.953  244.817   80.741 0.000000 0.000000 
1 1 1   35    0   21 o  141.765   55.406   0.7592   0.5524   0.6979   1.0807   0.7809   0.6427  143.425   84.894  140.105   71.221 0.000000 0.000000 
1 1 1   35    0   23 f  144.358   56.462   0.7314   0.5506   0.6135   0.6404   1.0655   1.0780  126.133   69.040  162.584   89.360 -0.000000 0.000000 
1 1 1   35    0   25 o  134.005   53.294   0.6634   0.5227   0.6418   0.6208   0.7159   0.9685  127.744   68.599  140.266   81.579 -0.000000 0.000000 
1 1 1   35    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35    0   29 f  325.799   68.473   3.5738   0.9783   3.3080   1.2467   3.9997   1.5782  314.717   88.969  336.881  104.108 -0.000000 0.000000 
1 1 1   35    0   31 o  143.562   54.135   0.6256   0.5376   1.4466   0.9590   0.2494   0.6492  185.682   88.201  101.443   62.792 0.000000 0.000000 
1 1 1   35    0   33 o  159.477   57.253   1.0625   0.5694   1.0937   0.9941   1.0472   0.6947  159.194   86.385  159.760   75.160 0.000000 0.000000 
1 1 1   35    0   35 o  127.177   51.970   0.6151   0.5322   0.7348   0.8865   0.5477   0.6655  135.353   78.339  119.002   68.312 0.000000 0.000000 
1 1 1   35    1    0 o  165.397   84.753   1.0882   0.9143   1.0882   0.9143   0.0000   0.0000  165.397   84.753  165.397   84.753 0.000000 0.000000 
1 1 1   35    1    2 o  316.618   51.026   2.4621   0.7746   1.7028   0.9207   4.3015   1.4329  245.030   69.742  388.206   74.503 -143.1758 102.0524 
1 1 1   35    1    4 o  218.455   50.627   1.2855   0.6187   1.3160   0.7294   1.2072   1.1683  217.052   62.178  219.858   79.915 -2.806427 101.2548 
1 1 1   35    1    6 o  354.359   49.022   3.2567   0.8155   2.6739   0.9784   4.5829   1.4758  308.110   63.862  400.609   74.393 -92.49924 98.04410 
1 1 1   35    1    8 o  688.374   67.179   13.044   2.3775   13.044   2.3775   0.0000   0.0000  688.374   67.179  ?   ?       ?      ? 
1 1 1   35    1   10 o  252.807   72.435   1.8342   0.9898   1.8342   0.9898   0.0000   0.0000  252.807   72.435  ?   ?       ?      ? 
1 1 1   35    1   12 o  268.918   47.723   2.0770   0.6685   1.5949   0.9427   2.5647   0.9482  236.801   71.457  301.035   63.276 -64.23433 95.44636 
1 1 1   35    1   14 o  757.081   35.191   15.380   1.3625   17.418   1.9518   13.443   1.9027  807.727   47.001  706.435   52.388 101.2929 70.38219 
1 1 1   35    1   16 o  183.541   37.112   0.8740   0.3922   1.4121   0.5824   0.4274   0.5306  224.863   51.487  142.220   53.464 82.64261 74.22443 
1 1 1   35    1   18 o  145.137   35.347   0.5274   0.3186   0.5544   0.4237   0.4923   0.4833  146.286   48.404  143.989   51.524 2.296738 70.69370 
1 1 1   35    1   20 o  171.588   36.587   0.7799   0.3747   1.1817   0.5266   0.3677   0.5333  205.362   50.277  137.814   53.166 67.54858 73.17380 
1 1 1   35    1   22 o  442.368   37.087   5.3474   0.8314   6.4494   1.1914   4.3016   1.1606  489.254   47.366  395.482   57.081 93.77255 74.17394 
1 1 1   35    1   24 o  241.142   40.346   1.6673   0.4971   1.3161   0.6975   2.0297   0.7085  213.961   60.637  268.322   53.239 -54.36150 80.69233 
1 1 1   35    1   26 o  305.724   58.323   2.9305   0.9186   2.8096   1.5399   2.9973   1.1446  295.259   91.756  316.190   72.020 -20.93073 116.6453 
1 1 1   35    1   28 o  253.720   52.500   2.0947   0.7690   2.5757   0.9392   1.1168   1.3393  295.719   63.660  211.722   83.500 83.99692 104.9992 
1 1 1   35    1   30 o  327.180   50.903   3.0542   0.7700   3.9090   1.4522   2.7199   0.9081  349.680   82.169  304.680   60.107 45.00058 101.8068 
1 1 1   35    1   32 o  153.133   37.212   0.6099   0.3674   0.3484   0.5254   0.8600   0.5139  133.187   52.372  173.078   52.877 -39.89134 74.42333 
1 1 1   35    1   34 o  171.986   33.376   0.7771   0.3565   1.4859   0.5158   0.1288   0.4933  227.995   45.592  115.977   48.758 112.0173 66.75301 
1 1 1   35    1   36 o  174.994   39.006   0.9087   0.3920   0.9368   0.5628   0.8822   0.5462  177.280   55.535  172.709   54.787 4.571152 78.01157 
1 1 1   35    2    1 o  245.740   54.948   1.6721   0.7810   1.3683   1.0616   2.0305   1.1530  225.714   76.638  265.766   78.763 -40.05212 109.8951 
1 1 1   35    2    3 f  350.625   51.005   3.5840   0.8574   3.0716   1.4582   3.8547   1.0601  322.313   86.286  378.937   54.412 -56.62418 102.0093 
1 1 1   35    2    5 o  238.436   39.217   1.5885   0.5350   0.4812   0.7693   2.6256   0.7445  162.301   63.505  314.570   46.034 -152.2684 78.43462 
1 1 1   35    2    7 o  184.807   42.260   0.9454   0.5008   1.3227   0.5924   0.0000   0.9378  217.919   53.313  151.695   65.584 66.22313 84.51943 
1 1 1   35    2    9 o  135.478   55.672   0.2009   0.6225   0.2009   0.6225   0.0000   0.0000  135.478   55.672  ?   ?       ?      ? 
1 1 1   35    2   11 o  575.977   65.216   9.1276   1.9312   9.1276   1.9312   0.0000   0.0000  575.977   65.216  ?   ?       ?      ? 
1 1 1   35    2   13 o  202.181   41.871   0.8875   0.5178   2.0392   0.8304   0.1547   0.6623  268.241   61.521  136.120   56.813 132.1208 83.74117 
1 1 1   35    2   15 o  185.904   39.269   0.9391   0.4065   1.1461   0.5989   0.7623   0.5535  202.299   55.783  169.508   55.286 32.79070 78.53799 
1 1 1   35    2   17 o  482.176   36.898   6.3241   0.8932   7.9954   1.2833   4.7531   1.2441  547.211   45.613  417.142   58.011 130.0692 73.79545 
1 1 1   35    2   19 o  469.786   35.927   5.9598   0.8676   6.1033   1.2295   5.8175   1.2244  475.652   50.276  463.919   51.335 11.73337 71.85402 
1 1 1   35    2   21 f  299.067   39.537   2.4904   0.5911   3.0016   0.8505   2.0127   0.8222  333.283   49.634  264.851   61.555 68.43234 79.07303 
1 1 1   35    2   23 o  246.962   46.664   1.3591   0.5673   2.9807   1.1369   0.8215   0.6546  317.793   71.334  176.132   60.180 141.6606 93.32802 
1 1 1   35    2   25 o  136.991   39.203   0.3133   0.3942   0.0000   0.8168   0.4084   0.4501  139.809   60.826  134.174   49.475 5.635056 78.40606 
1 1 1   35    2   27 f  185.732   39.773   0.9792   0.4131   0.9121   0.5880   1.0446   0.5807  180.251   56.809  191.214   55.681 -10.96288 79.54652 
1 1 1   35    2   29 o  167.123   46.392   0.4253   0.4846   0.2440   0.5415   1.1550   1.0862  128.605   52.278  205.641   76.655 -77.03662 92.78434 
1 1 1   35    2   31 o  167.509   38.225   0.7779   0.3921   1.0600   0.5364   0.4540   0.5746  191.183   52.822  143.836   55.267 47.34692 76.44988 
1 1 1   35    2   33 o  258.246   41.193   2.0028   0.5362   2.3164   0.7496   1.6742   0.7674  282.068   53.650  234.424   62.524 47.64360 82.38637 
1 1 1   35    2   35 f  139.100   35.410   0.4873   0.3229   0.6069   0.4855   0.3924   0.4323  149.171   51.786  129.028   48.307 20.14322 70.81968 
1 1 1   35    3    0 o  262.014   71.929   2.1698   0.8378   2.1698   0.8378   0.0000   0.0000  262.014   71.929  262.014   71.929 0.000000 0.000000 
1 1 1   35    3    2 o  377.945   40.494   3.8529   0.7866   3.8194   1.1221   3.8852   1.1031  376.096   58.032  379.795   56.493 -3.699524 80.98895 
1 1 1   35    3    4 o  247.023   47.288   1.8038   0.6161   1.2971   1.0473   2.0719   0.7618  221.075   76.098  272.971   56.158 -51.89655 94.57588 
1 1 1   35    3    6 o  147.839   50.724   0.5428   0.4651   0.0000   0.0000   0.5428   0.4651  ?   ?   147.839   50.724      ?      ? 
1 1 1   35    3    8 o  374.723   67.734   3.9647   1.2569   0.0000   0.0000   3.9647   1.2569  ?   ?   374.723   67.734      ?      ? 
1 1 1   35    3   10 o  199.020   44.228   1.0972   0.5271   0.6128   0.8281   1.4269   0.6833  172.800   66.358  225.241   58.489 -52.44040 88.45566 
1 1 1   35    3   12 f  209.896   71.223   1.1817   0.9169   1.1817   0.9169   0.0000   0.0000  209.896   71.223  ?   ?       ?      ? 
1 1 1   35    3   14 o  183.241   48.291   0.7427   0.6450   1.1613   0.8065   0.0000   1.0742  205.763   66.715  160.719   69.837 45.04416 96.58198 
1 1 1   35    3   16 f  581.544   39.931   8.9845   1.1665   10.220   1.9035   8.2416   1.4761  610.335   60.662  552.753   51.943 57.58276 79.86214 
1 1 1   35    3   18 o  257.181   39.801   1.8718   0.5145   1.4616   0.7225   2.2939   0.7329  226.556   60.771  287.806   51.415 -61.24985 79.60270 
1 1 1   35    3   20 o  196.695   39.192   1.0736   0.4149   1.2869   0.6136   0.8939   0.5632  213.283   55.442  180.106   55.411 33.17670 78.38474 
1 1 1   35    3   22 o  405.016   51.295   4.4536   0.9240   5.4538   1.8351   4.1139   1.0695  421.859   87.482  388.173   53.589 33.68671 102.5907 
1 1 1   35    3   24 o  184.103   40.523   0.9446   0.4241   0.9206   0.5842   0.9713   0.6167  181.813   56.517  186.393   58.088 -4.580170 81.04542 
1 1 1   35    3   26 o  427.966   36.982   5.0266   0.8122   4.6308   1.1221   5.4623   1.1772  409.791   53.258  446.141   51.324 -36.34976 73.96358 
1 1 1   35    3   28 o  402.053   37.640   4.4904   0.7693   3.7005   1.0684   5.3407   1.1085  362.960   57.256  441.147   48.876 -78.18762 75.28001 
1 1 1   35    3   30 o  226.906   52.705   1.5439   0.6801   1.5224   0.8183   1.5920   1.2231  224.823   66.283  228.990   81.961 -4.166306 105.4092 
1 1 1   35    3   32 o  187.301   39.487   1.0137   0.4166   1.2816   0.5989   0.7625   0.5799  208.634   55.037  165.967   56.639 42.66669 78.97495 
1 1 1   35    3   34 o  168.543   36.450   0.7960   0.3817   1.2432   0.5242   0.2915   0.5568  206.208   49.971  130.878   53.079 75.32939 72.90035 
1 1 1   35    3   36 o  149.570   39.821   0.5760   0.3888   0.3358   0.8114   0.6476   0.4430  148.113   62.416  151.027   49.468 -2.913666 79.64199 
1 1 1   35    4    1 o  309.096   43.057   2.6724   0.6596   2.8999   0.9349   2.4469   0.9309  323.417   58.373  294.776   63.311 28.64001 86.11380 
1 1 1   35    4    3 o  440.621   39.705   5.2269   0.8991   5.3245   1.2924   5.1353   1.2517  444.461   56.558  436.782   55.741 7.679474 79.40958 
1 1 1   35    4    5 o  175.285   40.194   0.8164   0.4184   0.6418   0.6319   0.9527   0.5584  164.274   58.899  186.295   54.708 -22.02148 80.38702 
1 1 1   35    4    7 o  327.082   48.658   3.2986   0.7620   2.1641   1.3163   3.8703   0.9345  272.903   84.839  381.261   47.673 -108.3576 97.31628 
1 1 1   35    4    9 o  221.590   47.716   1.3536   0.5882   1.5569   0.9021   1.2033   0.7758  234.431   69.712  208.749   65.172 25.68135 95.43123 
1 1 1   35    4   11 o  206.182   45.864   1.0619   0.5451   1.6853   0.8830   0.6778   0.6930  242.911   68.007  169.454   61.556 73.45703 91.72826 
1 1 1   35    4   13 o  179.044   43.220   0.8277   0.4700   0.8109   0.7576   0.8382   0.5993  180.933   64.531  177.154   57.512 3.778717 86.43986 
1 1 1   35    4   15 o  304.106   52.764   2.6851   0.7387   2.7311   0.8409   2.5295   1.5455  318.469   51.361  289.743   92.186 28.72610 105.5281 
1 1 1   35    4   17 o  290.893   42.250   2.0204   0.6222   4.1041   1.0835   0.9952   0.7600  388.991   54.176  192.794   64.846 196.1973 84.49921 
1 1 1   35    4   19 o  162.159   37.795   0.7164   0.3816   0.2106   0.6942   0.9353   0.4567  141.033   58.455  183.284   47.927 -42.25058 75.59029 
1 1 1   35    4   21 o  276.030   48.628   1.9101   0.6197   3.0698   1.2503   1.5323   0.7136  320.684   76.843  231.377   59.615 89.30667 97.25672 
1 1 1   35    4   23 o  134.669   36.113   0.3545   0.3539   0.1390   0.5112   0.5529   0.4904  120.701   50.105  148.637   52.020 -27.93642 72.22594 
1 1 1   35    4   25 o  523.778   35.969   7.5071   0.9678   7.7652   1.3614   7.2434   1.3762  533.648   49.620  513.907   52.087 19.74103 71.93899 
1 1 1   35    4   27 o  162.985   39.321   0.7069   0.3975   0.7999   0.5445   0.6007   0.5817  170.135   54.778  155.835   56.427 14.30066 78.64229 
1 1 1   35    4   29 o  332.399   40.551   3.2305   0.6592   3.8153   0.8984   2.5484   0.9702  373.180   46.824  291.619   66.220 81.56116 81.10184 
1 1 1   35    4   31 o  131.982   39.476   0.2015   0.4147   0.2635   0.4742   0.0000   0.8550  123.760   49.408  140.204   61.581 -16.44386 78.95135 
1 1 1   35    4   33 o  212.340   41.955   1.3561   0.4780   1.1990   0.6743   1.5147   0.6776  199.949   60.457  224.730   58.188 -24.78032 83.91060 
1 1 1   35    4   35 o  250.189   48.036   1.9179   0.6050   2.2627   1.0609   1.7517   0.7364  261.362   75.019  239.015   60.015 22.34673 96.07147 
1 1 1   35    5    0 o  213.424   74.769   1.5747   0.7432   1.5747   0.7432   0.0000   0.0000  213.424   74.769  213.424   74.769 0.000000 0.000000 
1 1 1   35    5    2 o  274.596   41.726   2.0628   0.5863   2.7301   0.8625   1.4895   0.7995  319.237   52.552  229.955   64.828 89.28200 83.45271 
1 1 1   35    5    4 o  266.087   41.374   1.9706   0.5531   2.4555   0.8087   1.5442   0.7583  298.134   54.776  234.041   62.022 64.09331 82.74802 
1 1 1   35    5    6 o  254.850   40.997   1.8260   0.5240   1.7470   0.7735   1.8930   0.7123  248.847   60.941  260.853   54.856 -12.00685 81.99329 
1 1 1   35    5    8 o  207.133   42.329   1.2694   0.5091   0.4883   0.8812   1.6607   0.6237  169.366   67.432  244.900   51.184 -75.53453 84.65752 
1 1 1   35    5   10 o  392.142   47.895   4.2061   0.9362   5.0120   1.4645   3.6493   1.2174  426.049   66.858  358.236   68.598 67.81366 95.78967 
1 1 1   35    5   12 o  143.990   38.105   0.3911   0.3654   0.6509   0.6298   0.2592   0.4487  164.331   58.812  123.650   48.468 40.68046 76.21031 
1 1 1   35    5   14 o  398.232   44.277   4.4088   0.8416   4.4115   1.4124   4.4073   1.0479  391.425   72.865  405.039   50.323 -13.61401 88.55333 
1 1 1   35    5   16 o  164.504   37.155   0.7188   0.3657   0.4696   0.5378   0.9331   0.4987  145.713   54.012  183.295   51.037 -37.58240 74.31091 
1 1 1   35    5   18 o  123.851   53.383   0.0000   0.6176   0.0000   0.0000   0.0000   0.6176  ?   ?   123.851   53.383      ?      ? 
1 1 1   35    5   20 o  238.192   48.354   1.3214   0.5970   2.6394   1.1302   0.8113   0.7031  298.686   73.981  177.697   62.285 120.9897 96.70887 
1 1 1   35    5   22 o  301.857   44.286   2.8683   0.6757   3.9015   0.8811   1.3932   1.0528  381.211   44.956  222.504   76.315 158.7068 88.57199 
1 1 1   35    5   24 o  127.038   35.146   0.2941   0.3303   0.2684   0.5125   0.3123   0.4320  128.777   51.377  125.299   47.974 3.478325 70.29276 
1 1 1   35    5   26 o  248.882   41.955   1.8069   0.5353   2.2044   0.7573   1.4102   0.7567  278.151   54.907  219.613   63.452 58.53835 83.91038 
1 1 1   35    5   28 o  166.504   38.269   0.7274   0.3836   1.0415   0.5738   0.4734   0.5159  190.411   55.322  142.597   52.892 47.81339 76.53873 
1 1 1   35    5   30 o  247.220   39.409   1.8022   0.5163   2.5484   0.7242   1.0309   0.7363  304.629   46.242  189.810   63.829 114.8196 78.81875 
1 1 1   35    5   32 o  175.098   41.672   0.8327   0.4378   1.0926   0.6981   0.6641   0.5621  192.492   62.035  157.704   55.657 34.78835 83.34351 
1 1 1   35    5   34 o  306.237   40.722   2.8311   0.6156   3.8625   0.8747   1.8191   0.8665  372.226   45.708  240.247   67.408 131.9790 81.44409 
1 1 1   35    5   36 o  385.789   41.822   4.3305   0.8029   3.9946   1.0031   4.9294   1.3394  371.166   52.569  400.411   65.061 -29.24463 83.64452 
1 1 1   35    6    1 f  399.969   40.083   4.3285   0.8212   3.9837   1.1739   4.6590   1.1493  383.341   59.561  416.596   53.659 -33.25497 80.16675 
1 1 1   35    6    3 o  185.029   38.828   0.9393   0.4280   0.4031   0.6509   1.3477   0.5681  149.666   58.455  220.392   51.124 -70.72583 77.65688 
1 1 1   35    6    5 o  553.422   37.048   8.2165   1.0508   8.1658   1.5446   8.2602   1.4338  550.876   54.535  555.967   50.161 -5.090454 74.09634 
1 1 1   35    6    7 o  443.227   48.180   5.6516   0.9712   5.0284   1.7107   5.9479   1.1798  414.306   83.204  472.148   48.604 -57.84232 96.36024 
1 1 1   35    6    9 o  208.092   45.441   1.2063   0.5408   0.9772   0.8086   1.3917   0.7275  193.967   66.859  222.217   61.557 -28.24965 90.88161 
1 1 1   35    6   11 o  319.661   49.346   2.8050   0.7861   3.9742   1.2438   2.0277   1.0142  374.647   67.038  264.675   72.430 109.9729 98.69204 
1 1 1   35    6   13 o  203.521   44.816   1.0677   0.5181   1.5626   0.8317   0.7539   0.6623  234.050   66.169  172.993   60.461 61.05666 89.63199 
1 1 1   35    6   15 o  474.182   35.925   6.0550   0.8656   7.2755   1.2512   4.9347   1.1987  521.723   46.645  426.641   54.650 95.08163 71.85001 
1 1 1   35    6   17 f  262.910   56.998   1.9500   0.7482   0.0000   0.0000   1.9500   0.7482  ?   ?   262.910   56.998      ?      ? 
1 1 1   35    6   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35    6   21 o  245.337   44.910   1.7617   0.5617   1.6006   0.9245   1.8559   0.7072  234.557   70.761  256.116   55.322 -21.55896 89.82056 
1 1 1   35    6   23 o  211.132   39.714   1.2642   0.4637   0.7151   0.6551   1.8154   0.6564  168.336   60.013  253.928   52.031 -85.59154 79.42751 
1 1 1   35    6   25 o  239.271   40.608   1.6446   0.4923   1.5587   0.6712   1.7448   0.7244  232.726   56.632  245.817   58.213 -13.09177 81.21587 
1 1 1   35    6   27 o  358.797   38.125   3.5694   0.7027   3.4123   0.9700   3.7429   1.0192  350.551   53.823  367.042   54.012 -16.49091 76.25056 
1 1 1   35    6   29 o  162.359   38.368   0.7128   0.3845   0.9016   0.5316   0.5057   0.5567  177.815   53.661  146.904   54.854 30.91142 76.73685 
1 1 1   35    6   31 o  203.074   40.737   1.1851   0.4587   0.7943   0.6234   1.6464   0.6773  169.787   58.697  236.362   56.505 -66.57553 81.47469 
1 1 1   35    6   33 o  186.521   42.766   0.9437   0.4622   1.4140   0.7641   0.6725   0.5803  214.712   64.232  158.330   56.479 56.38179 85.53111 
1 1 1   35    6   35 o  204.565   35.744   1.2639   0.4761   2.1877   0.6264   0.0000   0.7327  280.372   43.455  128.758   56.766 151.6139 71.48898 
1 1 1   35    7    0 o  418.831   60.707   4.8991   1.2273   0.0000   0.0000   4.8991   1.2273  418.831   60.707  418.831   60.707 -0.000000 0.000000 
1 1 1   35    7    2 o  195.155   41.150   1.0429   0.4534   0.7683   0.6461   1.3091   0.6363  173.952   59.778  216.359   56.566 -42.40744 82.29926 
1 1 1   35    7    4 o  322.656   40.518   2.8287   0.6558   3.2202   0.9779   2.5087   0.8841  345.760   55.009  299.551   59.505 46.20847 81.03593 
1 1 1   35    7    6 o  176.999   56.784   0.8369   0.5855   0.8369   0.5855   0.0000   0.0000  176.999   56.784  ?   ?       ?      ? 
1 1 1   35    7    8 o  177.668   43.495   0.6144   0.4627   1.3352   0.8571   0.3179   0.5496  218.927   68.523  136.409   53.589 82.51782 86.98953 
1 1 1   35    7   10 o  339.428   49.447   3.3547   0.8348   2.7355   1.2854   3.8064   1.0979  304.230   80.814  374.625   57.003 -70.39441 98.89488 
1 1 1   35    7   12 o  342.357   48.585   3.1659   0.8324   4.4891   1.3229   2.2985   1.0710  403.791   63.721  280.922   73.359 122.8688 97.16962 
1 1 1   35    7   14 o  303.378   55.285   2.5618   0.8305   0.0000   0.0000   2.5618   0.8305  ?   ?   303.378   55.285      ?      ? 
1 1 1   35    7   16 o  287.051   50.400   2.6186   0.8184   0.9777   1.3706   3.5277   1.0202  213.814   84.425  360.288   55.075 -146.4741 100.8006 
1 1 1   35    7   18 o  114.367   30.900   0.2205   0.2700  -0.0896   0.4291   0.4237   0.3474   99.009   43.554  129.724   43.844 -30.71449 61.80051 
1 1 1   35    7   20 o  164.034   44.796   0.5651   0.4700   0.6019   0.5280   0.4245   1.0319  154.776   53.989  173.292   71.499 -18.51582 89.59284 
1 1 1   35    7   22 o  145.638   37.105   0.4983   0.3767   0.0000   0.6561   0.7434   0.4602  126.827   54.845  164.449   49.993 -37.62125 74.21078 
1 1 1   35    7   24 o  162.094   37.848   0.7031   0.3690   0.5915   0.5292   0.8087   0.5147  153.255   54.012  170.933   53.035 -17.67870 75.69693 
1 1 1   35    7   26 o  204.831   39.183   1.1925   0.4285   0.9147   0.5880   1.5069   0.6257  180.463   56.803  229.198   53.987 -48.73459 78.36559 
1 1 1   35    7   28 o  136.195   33.846   0.3534   0.3195   0.8128   0.4845   0.0000   0.4249  169.792   51.225  102.599   44.252 67.19286 67.69263 
1 1 1   35    7   30 o  187.294   39.675   1.0214   0.4214   1.2480   0.5772   0.7627   0.6167  206.945   53.765  167.643   58.358 39.30193 79.34982 
1 1 1   35    7   32 o  268.875   50.711   2.5355   0.6989   2.8172   0.7770   1.3433   1.5985  318.150   47.506  219.600   89.607 98.54976 101.4211 
1 1 1   35    7   34 o  125.487   34.985   0.2964   0.3432   0.0000   0.5574   0.4774   0.4355  114.626   50.049  136.347   48.898 -21.72075 69.97050 
1 1 1   35    8    1 o  475.069   45.537   6.2060   1.0767   6.2869   1.3707   6.0757   1.7397  483.014   55.198  467.123   72.440 15.89038 91.07368 
1 1 1   35    8    3 o  407.891   43.725   4.5208   0.9103   4.3982   1.2103   4.6804   1.3812  402.803   58.443  412.979   65.054 -10.17545 87.45023 
1 1 1   35    8    5 o  273.418   43.873   2.0933   0.6024   1.8058   0.8155   2.4387   0.8938  252.319   63.044  294.518   61.032 -42.19940 87.74603 
1 1 1   35    8    7 o  294.349   51.894   2.5512   0.7604   2.3007   1.3015   2.6811   0.9369  279.760   83.858  308.939   61.153 -29.17920 103.7879 
1 1 1   35    8    9 o  352.306   48.937   3.2532   0.8512   4.8654   1.4204   2.3499   1.0633  419.932   65.792  284.681   72.462 135.2508 97.87408 
1 1 1   35    8   11 o  218.852   59.600   1.3512   0.6887   0.0000   0.0000   1.3512   0.6887  ?   ?   218.852   59.600      ?      ? 
1 1 1   35    8   13 o  241.264   62.441   1.6592   0.7805   0.0000   0.0000   1.6592   0.7805  ?   ?   241.264   62.441      ?      ? 
1 1 1   35    8   15 o  222.980   45.534   1.4599   0.5688   0.9371   0.9149   1.7891   0.7261  194.315   70.706  251.644   57.395 -57.32918 91.06870 
1 1 1   35    8   17 o  202.827   39.205   1.1509   0.4202   1.2777   0.6184   1.0420   0.5728  212.689   55.843  192.966   55.042 19.72290 78.40974 
1 1 1   35    8   19 o  255.610   42.400   1.8887   0.5481   1.6402   0.8156   2.0933   0.7400  238.296   64.844  272.924   54.647 -34.62825 84.80019 
1 1 1   35    8   21 o  360.622   53.011   3.5668   0.8557   3.2981   0.9861   4.3862   1.7219  346.701   55.324  374.542   90.444 -27.84082 106.0228 
1 1 1   35    8   23 o  205.566   40.149   1.0342   0.4582   1.9725   0.7591   0.4963   0.5748  262.352   57.837  148.781   55.700 113.5712 80.29745 
1 1 1   35    8   25 o  206.988   41.461   1.2324   0.4683   1.5009   0.6639   0.9666   0.6606  228.043   56.829  185.932   60.387 42.11061 82.92220 
1 1 1   35    8   27 o  270.082   47.143   2.0637   0.6437   2.8832   1.0490   1.5688   0.8152  310.664   67.600  229.500   65.727 81.16394 94.28574 
1 1 1   35    8   29 o  322.392   40.517   3.0212   0.6472   3.4533   0.8922   2.5413   0.9402  353.324   49.113  291.460   64.454 61.86469 81.03385 
1 1 1   35    8   31 o  230.001   47.416   1.7230   0.6429   0.8265   1.0786   2.2171   0.8007  186.452   74.488  273.551   58.692 -87.09904 94.83220 
1 1 1   35    8   33 o  246.969   55.646   1.8138   0.6896   1.8138   0.6896   0.0000   0.0000  246.969   55.646  ?   ?       ?      ? 
1 1 1   35    8   35 o  185.923   45.488   0.7065   0.4494   0.4264   0.5006   1.8710   1.0207  135.205   51.669  236.641   74.879 -101.4356 90.97548 
1 1 1   35    9    0 o  164.023   80.729   1.0688   0.8128   0.0000   0.0000   1.0688   0.8128  164.023   80.729  164.023   80.729 -0.000000 0.000000 
1 1 1   35    9    2 o  299.083   53.323   2.6495   0.8184   2.2503   1.2832   2.9232   1.0626  277.289   83.302  320.878   66.590 -43.58896 106.6462 
1 1 1   35    9    4 o  238.777   46.840   1.5149   0.5435   1.8718   1.0586   1.3871   0.6334  255.011   75.445  222.542   55.535 32.46828 93.68062 
1 1 1   35    9    6 o  205.054   43.884   1.2102   0.4852   0.8066   0.9535   1.3512   0.5637  189.632   71.587  220.476   50.778 -30.84373 87.76785 
1 1 1   35    9    8 o  375.399   48.766   3.7688   0.9412   0.0000   0.0000   3.7688   0.9412  ?   ?   375.399   48.766      ?      ? 
1 1 1   35    9   10 o  526.611   59.424   7.5673   1.6089   0.0000   0.0000   7.5673   1.6089  ?   ?   526.611   59.424      ?      ? 
1 1 1   35    9   12 o  156.365   40.368   0.5116   0.3964   0.7766   0.7172   0.3950   0.4757  176.759   62.815  135.970   50.721 40.78973 80.73609 
1 1 1   35    9   14 o  237.258   50.249   1.4538   0.6366   2.2345   1.1176   1.0789   0.7745  275.509   76.291  199.006   65.420 76.50299 100.4988 
1 1 1   35    9   16 o  406.903   37.989   4.4684   0.7887   5.2745   1.1584   3.7718   1.0769  442.000   50.978  371.806   56.338 70.19379 75.97852 
1 1 1   35    9   18 o  457.345   37.226   5.6502   0.8675   6.7451   1.2729   4.7006   1.1854  499.915   49.527  414.774   55.590 85.14188 74.45235 
1 1 1   35    9   20 o  126.045   33.107   0.3363   0.2754   0.3878   0.4680   0.3090   0.3407  134.243   50.263  117.846   43.105 16.39665 66.21481 
1 1 1   35    9   22 o  226.902   51.208   1.4866   0.6290   1.5331   0.7267   1.3478   1.2560  230.367   60.556  223.436   82.597 6.930252 102.4169 
1 1 1   35    9   24 o  212.584   45.584   1.2535   0.5200   1.5327   0.8941   1.1108   0.6391  228.001   69.763  197.166   58.691 30.83514 91.16713 
1 1 1   35    9   26 o  186.976   37.443   0.9859   0.3938   1.3673   0.5570   0.6049   0.5568  219.101   50.484  154.851   55.311 64.24968 74.88615 
1 1 1   35    9   28 o  310.982   40.593   2.7974   0.6251   2.7563   0.8810   2.8391   0.8871  308.475   57.668  313.488   57.146 -5.012268 81.18696 
1 1 1   35    9   30 o  340.521   64.027   4.2266   1.1934   5.0170   1.4922   2.8234   1.9882  401.719   75.007  279.323  103.788 122.3962 128.0541 
1 1 1   35    9   32 o  182.514   58.134   0.9764   0.6145   0.9764   0.6145   0.0000   0.0000  182.514   58.134  ?   ?       ?      ? 
1 1 1   35    9   34 o  161.844   43.068   0.3581   0.4565   0.0000   0.5272   1.4303   0.9122  111.594   48.701  212.094   71.047 -100.5001 86.13667 
1 1 1   35   10    1 o  586.073   47.887   8.7530   1.3374   7.6368   1.5787   11.591   2.5170  530.653   57.864  641.494   76.318 -110.8418 95.77448 
1 1 1   35   10    3 o  320.458   61.234   3.0648   1.0281   3.0294   1.3742   3.1098   1.5492  319.708   82.909  321.207   90.136 -1.499115 122.4678 
1 1 1   35   10    5 o  361.656   92.097   3.9722   1.7170   0.0000   0.0000   3.9722   1.7170  ?   ?   361.656   92.097      ?      ? 
1 1 1   35   10    7 o  262.545   86.281   1.9908   1.3472   0.0000   0.0000   1.9908   1.3472  ?   ?   262.545   86.281      ?      ? 
1 1 1   35   10    9 o  215.242   77.234   1.1980   1.0867   0.0000   0.0000   1.1980   1.0867  ?   ?   215.242   77.234      ?      ? 
1 1 1   35   10   11 o  427.535   47.933   4.9791   1.0107   6.5689   1.5802   3.8786   1.3148  488.444   62.927  366.625   72.321 121.8192 95.86546 
1 1 1   35   10   13 o  325.076   51.006   3.0131   0.8153   3.3882   1.3071   2.7741   1.0432  339.448   76.702  310.703   67.254 28.74567 102.0114 
1 1 1   35   10   15 o  216.099   46.008   1.1821   0.5181   1.7791   0.9570   0.9346   0.6162  247.510   71.312  184.688   58.151 62.82254 92.01610 
1 1 1   35   10   17 o  176.964   35.585   0.7231   0.3767   1.5050   0.5913   0.1890   0.4888  231.861   50.992  122.067   49.649 109.7937 71.17020 
1 1 1   35   10   19 o  336.219   39.264   3.1183   0.6626   3.4701   0.9706   2.8111   0.9069  356.918   52.893  315.520   58.043 41.39752 78.52808 
1 1 1   35   10   21 o  191.862   39.426   1.0421   0.4150   0.8937   0.6018   1.1766   0.5731  180.108   57.552  203.616   53.903 -23.50813 78.85275 
1 1 1   35   10   23 o  347.239   56.662   3.2753   0.8619   2.8930   0.9760   4.6300   1.8373  316.424   62.211  378.053   94.722 -61.62875 113.3249 
1 1 1   35   10   25 o  190.658   42.631   0.9011   0.4780   1.5862   0.7799   0.4889   0.6050  231.975   63.528  149.340   56.868 82.63553 85.26260 
1 1 1   35   10   27 o  261.819   47.528   2.5224   0.7181   3.1199   0.7986   0.0000   1.6408  337.964   45.962  185.675   83.205 152.2890 95.05534 
1 1 1   35   10   29 o  251.932   62.135   1.6479   0.9149   1.0279   1.0688   3.3468   1.7694  196.989   75.449  306.874   98.744 -109.8849 124.2696 
1 1 1   35   10   31 o  312.549   50.536   2.7456   0.8121   2.7456   0.8121   0.0000   0.0000  312.549   50.536  ?   ?       ?      ? 
1 1 1   35   10   33 o  210.187   48.754   1.1371   0.5027   0.9544   0.5567   1.9443   1.1705  179.756   55.056  240.618   80.479 -60.86220 97.50895 
1 1 1   35   11    0 o  143.203   81.189   0.7552   0.9241   0.0000   0.0000   0.7552   0.9241  143.203   81.189  143.203   81.189 -0.000000 0.000000 
1 1 1   35   11    2 o  224.186   40.881   1.3920   0.4705   1.5922   0.7251   1.2464   0.6184  237.444   59.512  210.929   56.066 26.51497 81.76246 
1 1 1   35   11    4 o  194.190   40.356   1.0792   0.4427   0.6621   0.7243   1.3278   0.5593  169.934   62.744  218.445   50.769 -48.51111 80.71148 
1 1 1   35   11    6 o  179.777   38.619   0.8446   0.3872   1.1315   0.6077   0.6484   0.5025  201.273   56.441  158.281   52.728 42.99278 77.23890 
1 1 1   35   11    8 o  522.534   47.918   7.3017   1.2873   0.0000   0.0000   7.3017   1.2873  ?   ?   522.534   47.918      ?      ? 
1 1 1   35   11   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35   11   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35   11   14 o  142.278   38.517   0.4172   0.3451   0.2665   0.7654   0.4556   0.3866  149.424   61.605  135.132   46.249 14.29176 77.03389 
1 1 1   35   11   16 o  348.652   43.786   3.4889   0.7489   3.9951   1.0072   2.8631   1.1200  384.353   50.970  312.951   71.211 71.40237 87.57210 
1 1 1   35   11   18 o  467.139   36.870   5.9202   0.8798   6.8405   1.2746   5.0824   1.2161  503.119   49.275  431.160   54.859 71.95880 73.73986 
1 1 1   35   11   20 o  237.628   41.494   1.6457   0.5110   1.2604   0.7499   1.9798   0.6982  210.028   63.811  265.227   53.059 -55.19917 82.98857 
1 1 1   35   11   22 o  774.466   51.068   16.798   1.7632   16.220   2.0344   18.541   3.5345  770.069   51.386  778.863   88.267 -8.794006 102.1355 
1 1 1   35   11   24 o  274.240   54.255   2.3881   0.7374   2.5235   0.8349   1.9080   1.5718  297.054   56.739  251.425   92.494 45.62863 108.5106 
1 1 1   35   11   26 o  192.664   50.389   0.9193   0.5402   0.9105   0.5884   0.9665   1.3639  179.551   56.853  205.776   83.210 -26.22530 100.7779 
1 1 1   35   11   28 o  212.004   53.988   1.3591   0.7753   1.7213   0.8726   0.0000   1.6902  237.692   67.979  186.317   83.891 51.37500 107.9761 
1 1 1   35   11   30 o  221.858   56.095   1.4554   0.6402   1.4554   0.6402   0.0000   0.0000  221.858   56.095  ?   ?       ?      ? 
1 1 1   35   11   32 o  386.363   53.078   3.9634   0.8667   3.3541   0.9677   6.4330   1.9483  341.204   55.166  431.523   90.696 -90.31897 106.1558 
1 1 1   35   11   34 o  241.912   47.962   1.2952   0.4439   1.0718   0.4719   3.0080   1.3068  190.976   48.092  292.848   82.998 -101.8716 95.92433 
1 1 1   35   12    1 o  188.192   37.824   0.9830   0.3888   0.7748   0.5601   1.1765   0.5401  170.923   55.605  205.460   51.289 -34.53749 75.64704 
1 1 1   35   12    3 o  149.919   37.693   0.5671   0.3398   0.0000   0.8115   0.6877   0.3741  141.309   61.050  158.529   44.227 -17.21992 75.38676 
1 1 1   35   12    5 o  363.156   37.423   3.4845   0.6916   4.2054   1.0654   2.9596   0.9092  395.121   52.447  331.191   53.398 63.92987 74.84679 
1 1 1   35   12    7 o  199.645   42.131   1.2028   0.4852   0.3361   0.9608   1.4995   0.5621  166.524   68.872  232.767   48.544 -66.24275 84.26120 
1 1 1   35   12    9 f  364.140   43.900   3.3521   0.7580   4.7083   1.4061   2.7965   0.9000  411.864   66.402  316.415   57.441 95.44891 87.79922 
1 1 1   35   12   11 f  244.485   61.633   1.7048   0.7745   0.0000   0.0000   1.7048   0.7745  ?   ?   244.485   61.633      ?      ? 
1 1 1   35   12   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35   12   15 o  126.605   46.103   0.3620   0.3891   0.0000   0.0000   0.3620   0.3891  ?   ?   126.605   46.103      ?      ? 
1 1 1   35   12   17 o  464.459   91.966   6.6568   2.1184   6.6568   2.1184   0.0000   0.0000  464.459   91.966  ?   ?       ?      ? 
1 1 1   35   12   19 f  245.542   60.120   1.7347   0.7529   1.7347   0.7529   0.0000   0.0000  245.542   60.120  ?   ?       ?      ? 
1 1 1   35   12   21 o  347.889   54.087   3.3287   0.9674   3.3287   0.9674   0.0000   0.0000  347.889   54.087  ?   ?       ?      ? 
1 1 1   35   12   23 o  253.625   54.665   1.7376   0.6672   1.5584   0.7485   2.4307   1.4724  230.878   61.824  276.372   90.171 -45.49380 109.3296 
1 1 1   35   12   25 o  236.117   56.222   1.5917   0.6486   1.6082   0.6928   1.4742   1.8451  234.993   57.756  237.240   96.477 -2.247192 112.4434 
1 1 1   35   12   27 o  238.927   59.966   1.7736   0.8915   1.8804   1.0490   1.4960   1.6916  245.777   75.627  232.078   93.081 13.69904 119.9319 
1 1 1   35   12   29 o  361.244   39.487   3.5341   0.7334   3.5341   0.7334   0.0000   0.0000  361.244   39.487  ?   ?       ?      ? 
1 1 1   35   12   31 f  399.277   48.472   3.9114   0.7265   3.4552   0.7854   6.6160   1.9123  354.203   43.131  444.352   86.820 -90.14908 96.94306 
1 1 1   35   12   33 o  259.840   46.290   2.5145   0.5788   2.7870   0.6293   1.0209   1.4735  319.254   38.341  200.426   84.267 118.8284 92.57976 
1 1 1   35   13    0 o  149.292   63.407   0.8333   0.4939   0.0000   0.0000   0.8333   0.4939  149.292   63.407  149.292   63.407 -0.000000 0.000000 
1 1 1   35   13    2 o  419.857   36.273   4.7030   0.7799   5.2059   1.1665   4.2965   1.0487  439.892   51.578  399.821   51.017 40.07037 72.54694 
1 1 1   35   13    4 o  247.799   49.035   1.4132   0.5597   2.6019   1.2292   1.1024   0.6286  296.752   79.122  198.846   57.943 97.90576 98.06992 
1 1 1   35   13    6 o  253.805   41.468   1.7844   0.5244   2.0687   0.8211   1.5886   0.6814  270.176   60.607  237.434   56.615 32.74203 82.93658 
1 1 1   35   13    8 o  216.299   45.004   1.1892   0.4827   1.6670   0.9562   1.0258   0.5591  240.731   71.815  191.867   54.259 48.86380 90.00750 
1 1 1   35   13   10 o  139.464   36.403   0.4541   0.3210   0.0000   0.7308   0.5627   0.3573  134.210   57.961  144.718   44.061 -10.50806 72.80685 
1 1 1   35   13   12 o  361.463   78.836   3.8692   1.4238   3.8692   1.4238   0.0000   0.0000  361.463   78.836  ?   ?       ?      ? 
1 1 1   35   13   14 o  167.977   49.272   0.2153   0.6103   0.0000   0.7001   0.8970   1.2457  131.254   56.707  204.700   80.593 -73.44615 98.54375 
1 1 1   35   13   16 o  319.909   97.415   3.2563   1.7462   0.0000   0.0000   3.2563   1.7462  ?   ?   319.909   97.415      ?      ? 
1 1 1   35   13   18 o  365.745   66.404   4.1574   1.2884   2.8609   1.7292   5.7753   1.9318  299.708   97.716  431.781   89.940 -132.0735 132.8072 
1 1 1   35   13   20 o  405.451   90.016   5.1616   1.8275   5.1616   1.8275   0.0000   0.0000  405.451   90.016  ?   ?       ?      ? 
1 1 1   35   13   22 o  300.399   58.366   2.5873   0.8689   2.5873   0.8689   0.0000   0.0000  300.399   58.366  ?   ?       ?      ? 
1 1 1   35   13   24 o  405.943   40.520   4.4291   0.8457   4.4291   0.8457   0.0000   0.0000  405.943   40.520  ?   ?       ?      ? 
1 1 1   35   13   26 o  137.590   50.541   0.4483   0.4690   0.4483   0.4690   0.0000   0.0000  137.590   50.541  ?   ?       ?      ? 
1 1 1   35   13   28 o  218.792   44.888   1.5546   0.4825   1.6977   0.5144   0.5087   1.3908  250.385   39.960  187.200   80.393 63.18544 89.77670 
1 1 1   35   13   30 f  220.017   47.404   1.1675   0.4266   1.0445   0.4548   2.0671   1.2299  190.447   46.787  249.588   82.459 -59.14108 94.80799 
1 1 1   35   13   32 o  152.449   43.359   0.4597   0.3495   0.4532   0.3664   0.5250   1.1648  130.885   45.016  174.013   74.119 -43.12794 86.71793 
1 1 1   35   14    1 o  217.936   31.298   1.1826   0.3372   1.7976   0.5706   0.8525   0.4181  260.248   42.646  175.625   45.820 84.62335 62.59553 
1 1 1   35   14    3 o  229.212   48.989   1.2548   0.5642   0.9625   0.6501   2.1469   1.1357  187.974   59.790  270.449   77.620 -82.47513 97.97798 
1 1 1   35   14    5 o  400.694   68.625   5.0564   1.4010   5.5687   1.8659   4.3943   2.1210  431.265   87.152  370.123  106.030 61.14209 137.2508 
1 1 1   35   14    7 f  334.267   51.056   2.7610   0.8022   1.9479   0.9453   4.8524   1.5160  259.313   69.497  409.220   74.814 -149.9072 102.1126 
1 1 1   35   14    9 o  437.138   59.776   5.4503   1.3026   3.6913   1.7003   7.9492   2.0267  345.123   93.505  529.152   74.496 -184.0287 119.5529 
1 1 1   35   14   11 o  255.438   77.803   1.9138   1.1138   1.9138   1.1138   0.0000   0.0000  255.438   77.803  ?   ?       ?      ? 
1 1 1   35   14   13 o  135.314   44.066   0.4766   0.3517   0.4766   0.3517   0.0000   0.0000  135.314   44.066  ?   ?       ?      ? 
1 1 1   35   14   15 o  351.216   54.658   3.5505   0.7944   3.5066   0.8827   3.7375   1.8227  360.894   47.571  341.539   98.422 19.35571 109.3158 
1 1 1   35   14   17 o  201.834   51.970   1.0419   0.7246   1.4172   0.9372   0.4840   1.1426  222.342   71.900  181.326   75.060 41.01620 103.9406 
1 1 1   35   14   19 o  494.884   48.419   6.0809   1.0582   5.3005   1.1923   8.9758   2.2963  439.953   52.711  549.815   81.234 -109.8621 96.83746 
1 1 1   35   14   21 o  167.644   41.788   0.7629   0.4202   0.9127   0.4596   0.0000   1.0375  180.002   48.548  155.286   68.029 24.71603 83.57538 
1 1 1   35   14   23 o  458.628   49.788   5.7738   1.1740   5.7738   1.1740   0.0000   0.0000  458.628   49.788  ?   ?       ?      ? 
1 1 1   35   14   25 o  236.503   55.905   1.6260   0.6690   1.6260   0.6690   0.0000   0.0000  236.503   55.905  ?   ?       ?      ? 
1 1 1   35   14   27 o  199.974   51.394   1.1734   0.6881   1.4663   0.7692   0.0000   1.5397  220.827   64.025  179.122   80.411 41.70425 102.7872 
1 1 1   35   14   29 o  303.742   49.912   3.5021   0.6639   3.8555   0.7222   1.5737   1.6871  377.917   37.171  229.568   92.645 148.3493 99.82388 
1 1 1   35   14   31 o  180.685   43.038   0.9889   0.3903   1.0773   0.4073   0.0000   1.3623  194.656   41.939  166.714   75.167 27.94193 86.07538 
1 1 1   35   14   33 o  276.223   51.909   2.3579   0.5833   2.3073   0.6241   2.7077   1.6401  288.062   42.138  264.383   94.881 23.67960 103.8171 
1 1 1   35   15    0 o  150.774   86.497   0.8364   1.0659   0.0000   0.0000   0.8364   1.0659  150.774   86.497  150.774   86.497 -0.000000 0.000000 
1 1 1   35   15    2 o  207.624   46.476   1.0377   0.3981   1.0069   0.4207   1.3021   1.2326  190.987   43.779  224.262   81.997 -33.27487 92.95200 
1 1 1   35   15    4 o  413.247   44.550   3.6452   0.7295   3.1316   0.7890   6.6733   1.9159  342.758   44.772  483.737   77.035 -140.9794 89.10099 
1 1 1   35   15    6 o  472.443   46.674   5.6220   0.8875   5.2860   0.9762   7.2232   2.1309  445.979   42.573  498.907   83.075 -52.92764 93.34863 
1 1 1   35   15    8 o  134.563   37.962   0.2612   0.2908   0.2312   0.3128   0.4523   0.7904  108.303   40.974  160.823   63.918 -52.51981 75.92344 
1 1 1   35   15   10 o  212.666   45.670   1.3852   0.5266   1.6010   0.5844   0.4536   1.2140  240.089   49.002  185.243   77.082 54.84619 91.33925 
1 1 1   35   15   12 o  109.979   40.644   0.2585   0.3041   0.2585   0.3041   0.0000   0.0000  109.979   40.644  ?   ?       ?      ? 
1 1 1   35   15   14 o  169.681   43.914   0.7235   0.4320   0.8369   0.4646   0.0000   1.1735  173.611   49.587  165.752   72.490 7.858948 87.82753 
1 1 1   35   15   16 o  200.789   47.768   1.1783   0.5330   1.3562   0.5718   0.0000   1.4718  219.269   51.588  182.310   80.410 36.95848 95.53579 
1 1 1   35   15   18 o  327.836   64.007   3.4744   1.1138   3.7580   1.4168   3.0155   1.8020  351.328   80.201  304.344   99.777 46.98334 128.0143 
1 1 1   35   15   20 o  259.353   50.536   1.9103   0.5633   1.8837   0.6121   2.0575   1.4388  259.971   47.549  258.735   89.188 1.236084 101.0713 
1 1 1   35   15   22 o  203.622   46.982   1.2445   0.5300   1.3983   0.5837   0.5219   1.2653  221.181   52.172  186.062   78.150 35.11888 93.96461 
1 1 1   35   15   24 o  186.164   51.871   0.9921   0.5150   0.9921   0.5150   0.0000   0.0000  186.164   51.871  ?   ?       ?      ? 
1 1 1   35   15   26 o  338.741   49.259   3.1802   0.8579   3.1802   0.8579   0.0000   0.0000  338.741   49.259  ?   ?       ?      ? 
1 1 1   35   15   28 o  178.862   61.574   0.9056   0.6857   0.9056   0.6857   0.0000   0.0000  178.862   61.574  ?   ?       ?      ? 
1 1 1   35   15   30 o  247.395   46.705   1.9327   0.4992   1.9824   0.5377   1.6224   1.3443  269.791   38.762  224.999   84.987 44.79126 93.40912 
1 1 1   35   15   32 o  318.276   50.769   2.9091   0.6201   2.7476   0.6715   3.8453   1.6162  315.076   41.452  321.476   92.691 -6.400513 101.5371 
1 1 1   35   16    1 o  335.918   61.778   3.3949   1.1671   1.6904   1.6240   5.2158   1.6785  251.116   93.704  420.720   80.532 -169.6033 123.5554 
1 1 1   35   16    3 o  330.417   47.978   2.3024   0.5763   1.9991   0.6148   4.4987   1.6542  274.007   43.641  386.828   85.457 -112.8208 95.95596 
1 1 1   35   16    5 o  275.594   50.540   2.2500   0.5920   2.3215   0.6415   1.8397   1.5371  295.552   42.219  255.636   91.841 39.91647 101.0803 
1 1 1   35   16    7 o  328.689   46.587   2.4731   0.6092   2.1471   0.6652   4.1687   1.5170  283.358   45.660  374.020   81.219 -90.66165 93.17335 
1 1 1   35   16    9 o  378.100   49.553   3.6151   0.8057   3.2062   0.9098   5.1016   1.7346  344.289   51.396  411.911   84.737 -67.62210 99.10535 
1 1 1   35   16   11 o  397.305   47.215   4.2421   0.9644   4.2421   0.9644   0.0000   0.0000  397.305   47.215  ?   ?       ?      ? 
1 1 1   35   16   13 o  145.059   50.951   0.5188   0.4706   0.5188   0.4706   0.0000   0.0000  145.059   50.951  ?   ?       ?      ? 
1 1 1   35   16   15 o  131.520   38.134   0.2829   0.2765   0.3101   0.2895   0.0000   0.9334  113.875   39.965  149.166   64.958 -35.29077 76.26755 
1 1 1   35   16   17 o  197.665   47.823   1.0191   0.4960   1.0209   0.5461   1.0104   1.1849  190.064   53.579  205.267   79.230 -15.20293 95.64608 
1 1 1   35   16   19 o  178.092   46.649   0.8133   0.5432   1.0110   0.6056   0.0000   1.2281  189.007   57.329  167.177   73.607 21.82994 93.29859 
1 1 1   35   16   21 o  138.862   47.612   0.4946   0.4098   0.4946   0.4098   0.0000   0.0000  138.862   47.612  ?   ?       ?      ? 
1 1 1   35   16   23 o  139.400   41.977   0.5329   0.3256   0.5329   0.3256   0.0000   0.0000  139.400   41.977  ?   ?       ?      ? 
1 1 1   35   16   25 o  459.789   49.424   5.2137   0.9908   4.3690   1.1064   8.6334   2.2262  393.997   54.621  525.582   82.387 -131.5847 98.84850 
1 1 1   35   16   27 o  146.706   39.082   0.5316   0.3551   0.6268   0.3856   0.0000   0.9115  149.732   45.812  143.680   63.330 6.051315 78.16300 
1 1 1   35   16   29 o  141.606   47.319   0.5453   0.4046   0.5453   0.4046   0.0000   0.0000  141.606   47.319  ?   ?       ?      ? 
1 1 1   35   16   31 o  201.742   44.419   1.1724   0.4482   1.1724   0.4482   0.0000   0.0000  201.742   44.419  ?   ?       ?      ? 
1 1 1   35   17    0 o   99.261   64.431   0.0000   0.7846   0.0000   0.7846   0.0000   0.0000   99.261   64.431   99.261   64.431 0.000000 0.000000 
1 1 1   35   17    2 o  211.040   54.990   1.1295   0.7827   1.2692   1.0005   0.9091   1.2566  215.922   74.376  206.158   81.017 9.764359 109.9801 
1 1 1   35   17    4 o  470.436   38.533   3.6911   0.7214   2.4662   0.7783   11.174   1.9236  302.485   50.043  638.387   58.607 -335.9021 77.06598 
1 1 1   35   17    6 o  204.032   48.580   0.9257   0.4198   0.8696   0.4430   1.4203   1.3156  176.957   47.638  231.106   84.680 -54.14847 97.16028 
1 1 1   35   17    8 o  328.480   50.237   2.8395   0.7174   2.5636   0.8141   3.7987   1.5178  303.132   54.228  353.828   84.584 -50.69629 100.4745 
1 1 1   35   17   10 o  155.677   51.503   0.6366   0.4797   0.6366   0.4797   0.0000   0.0000  155.677   51.503  ?   ?       ?      ? 
1 1 1   35   17   12 o  171.995   46.871   0.8225   0.4258   0.8225   0.4258   0.0000   0.0000  171.995   46.871  ?   ?       ?      ? 
1 1 1   35   17   14 o  207.609   49.292   1.1606   0.5186   1.1925   0.5631   0.9822   1.3321  205.232   52.996  209.986   83.128 -4.754120 98.58422 
1 1 1   35   17   16 f  128.236   40.063   0.1361   0.2587   0.1437   0.2658   0.0000   1.1296   94.590   37.232  161.882   70.951 -67.29160 80.12659 
1 1 1   35   17   18 o  186.001   67.492   0.8939   0.8328   0.8939   0.8328   0.0000   0.0000  186.001   67.492  ?   ?       ?      ? 
1 1 1   35   17   20 o  291.543   53.291   2.4086   0.7694   2.4086   0.7694   0.0000   0.0000  291.543   53.291  ?   ?       ?      ? 
1 1 1   35   17   22 o  178.960   46.741   0.6415   0.3371   0.6103   0.3486   1.0916   1.3256  148.332   43.125  209.587   82.941 -61.25540 93.48233 
1 1 1   35   17   24 o  186.300   44.055   1.0299   0.4145   1.1329   0.4347   0.0000   1.3750  200.628   43.404  171.973   76.679 28.65468 88.11084 
1 1 1   35   17   26 f  136.736   39.328   0.3549   0.3023   0.3894   0.3167   0.0000   1.0158  122.870   41.858  150.602   66.594 -27.73101 78.65665 
1 1 1   35   17   28 o  190.735   49.472   1.0226   0.6216   0.9607   0.7882   1.1245   1.0109  183.761   65.794  197.709   73.900 -13.94778 98.94489 
1 1 1   35   17   30 o  207.710   52.642   1.2832   0.5629   1.2832   0.5629   0.0000   0.0000  207.710   52.642  ?   ?       ?      ? 
1 1 1   35   18    1 o  318.329   64.969   3.1403   1.1211   3.1008   1.5403   3.1849   1.6349  316.966   90.203  319.693   93.527 -2.727081 129.9385 
1 1 1   35   18    3 o  158.243   47.019   0.1935   0.6411   0.0000   0.8355   0.4705   0.9999  142.500   61.756  173.986   70.917 -31.48630 94.03732 
1 1 1   35   18    5 o  170.439   46.085   0.6258   0.4658   0.6544   0.5098   0.4810   1.1469  158.464   53.111  182.414   75.330 -23.94943 92.17074 
1 1 1   35   18    7 o  323.809   41.422   2.7901   0.6896   2.7901   0.6896   0.0000   0.0000  323.809   41.422  ?   ?       ?      ? 
1 1 1   35   18    9 o  235.545   54.889   1.5709   0.6524   1.5709   0.6524   0.0000   0.0000  235.545   54.889  ?   ?       ?      ? 
1 1 1   35   18   11 o  328.214   43.971   2.1760   0.6405   1.3581   0.7177   5.3743   1.4192  217.661   61.445  438.766   62.915 -221.1046 87.94218 
1 1 1   35   18   13 o  192.027   58.524   1.0369   0.6300   1.0369   0.6300   0.0000   0.0000  192.027   58.524  ?   ?       ?      ? 
1 1 1   35   18   15 o  204.403   60.673   1.1951   0.6838   1.1951   0.6838   0.0000   0.0000  204.403   60.673  ?   ?       ?      ? 
1 1 1   35   18   17 o  153.922   51.304   0.6284   0.4757   0.6284   0.4757   0.0000   0.0000  153.922   51.304  ?   ?       ?      ? 
1 1 1   35   18   19 o  201.018   52.078   1.0303   0.6073   1.0169   0.6767   1.0855   1.3767  189.670   61.072  212.367   84.371 -22.69670 104.1551 
1 1 1   35   18   21 o  201.718   49.790   0.8953   0.4564   0.7928   0.4859   1.6615   1.3286  168.095   51.431  235.341   85.269 -67.24603 99.57909 
1 1 1   35   18   23 o  396.755   58.395   5.2557   0.8546   5.3932   0.9285   4.4936   2.1862  446.749   40.425  346.762  109.571 99.98630 116.7905 
1 1 1   35   18   25 o  275.978   52.246   2.3432   0.6018   2.3557   0.6450   2.2588   1.6733  293.707   42.712  258.248   95.363 35.45883 104.4915 
1 1 1   35   18   27 o  220.028   49.362   1.0958   0.4423   0.9468   0.4692   2.2846   1.3254  180.697   49.188  259.360   85.597 -78.66252 98.72325 
1 1 1   35   18   29 o  199.627   43.515   1.3637   0.5110   1.6230   0.5575   0.0000   1.2785  237.088   47.391  162.166   72.995 74.92194 87.02975 
1 1 1   35   19    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35   19    2 o  220.397   77.195   1.3299   1.0799   1.3299   1.0799   0.0000   0.0000  220.397   77.195  ?   ?       ?      ? 
1 1 1   35   19    4 o  504.170   91.344   7.7823   2.2805   7.7823   2.2805   0.0000   0.0000  504.170   91.344  ?   ?       ?      ? 
1 1 1   35   19    6 o  186.494   49.306   0.9730   0.4799   0.9730   0.4799   0.0000   0.0000  186.494   49.306  ?   ?       ?      ? 
1 1 1   35   19    8 o  303.971   46.849   1.9540   0.7201   0.8726   0.8390   4.9786   1.4031  186.421   67.730  421.521   64.746 -235.0998 93.69830 
1 1 1   35   19   10 o  212.721   84.618   0.9976   1.3864   0.0000   0.0000   0.9976   1.3864  ?   ?   212.721   84.618      ?      ? 
1 1 1   35   19   12 o  180.776   56.077   0.9083   0.5755   0.9083   0.5755   0.0000   0.0000  180.776   56.077  ?   ?       ?      ? 
1 1 1   35   19   14 o  176.666   52.879   0.8723   0.5178   0.8723   0.5178   0.0000   0.0000  176.666   52.879  ?   ?       ?      ? 
1 1 1   35   19   16 o  128.640   46.242   0.3925   0.3897   0.3925   0.3897   0.0000   0.0000  128.640   46.242  ?   ?       ?      ? 
1 1 1   35   19   18 o  317.564   47.878   2.3789   0.6421   1.9052   0.7145   4.3657   1.4634  257.507   55.599  377.621   77.962 -120.1136 95.75636 
1 1 1   35   19   20 o  209.334   45.716   0.7957   0.3705   0.6312   0.3910   2.2453   1.1605  151.152   46.112  267.516   78.952 -116.3641 91.43143 
1 1 1   35   19   22 o  149.116   40.222   0.4523   0.3071   0.4374   0.3259   0.5702   0.9170  128.741   42.442  169.492   68.337 -40.75064 80.44400 
1 1 1   35   19   24 o  288.369   50.987   2.6457   0.5923   2.6975   0.6365   2.3118   1.6168  315.797   39.203  260.941   94.138 54.85526 101.9750 
1 1 1   35   19   26 o  157.951   40.583   0.6699   0.3536   0.7498   0.3741   0.0000   1.0836  162.235   43.818  153.667   68.323 8.567688 81.16699 
1 1 1   35   19   28 o  253.941   48.958   1.4317   0.5500   0.9848   0.6058   3.5263   1.3116  182.207   57.691  325.675   79.114 -143.4680 97.91510 
1 1 1   35   19   30 o  148.537   41.985   0.4499   0.3848   0.4222   0.4196   0.5966   0.9653  130.159   47.805  166.915   69.033 -36.75583 83.96986 
1 1 1   35   20    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35   20    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35   20    5 o  432.585  101.062   6.0279   2.2071   0.0000   0.0000   6.0279   2.2071  ?   ?   432.585  101.062      ?      ? 
1 1 1   35   20    7 o  261.596   51.988   1.5205   0.5652   1.2546   0.6122   3.0520   1.4696  210.061   55.760  313.130   87.759 -103.0696 103.9754 
1 1 1   35   20    9 f  279.387   53.305   2.1901   0.6630   2.1065   0.7359   2.5505   1.5279  273.230   54.300  285.543   91.746 -12.31299 106.6109 
1 1 1   35   20   11 f  210.240   56.168   1.0408   0.8075   0.7587   1.0121   1.5349   1.3394  186.505   72.880  233.975   85.488 -47.46988 112.3368 
1 1 1   35   20   13 o  174.499   51.959   0.8511   0.5009   0.8511   0.5009   0.0000   0.0000  174.499   51.959  ?   ?       ?      ? 
1 1 1   35   20   15 o  236.874   51.100   1.7443   0.6184   1.8833   0.6785   1.0622   1.5027  257.516   53.017  216.231   87.374 41.28436 102.2007 
1 1 1   35   20   17 o  255.257   52.280   2.0141   0.6351   2.0897   0.6969   1.6443   1.5420  271.642   51.794  238.872   90.831 32.77081 104.5607 
1 1 1   35   20   19 o  199.288   48.105   1.1979   0.6036   1.4840   0.6718   0.0000   1.3745  225.404   57.719  173.171   76.974 52.23239 96.21079 
1 1 1   35   20   21 o  251.996   49.204   1.9016   0.5488   1.9301   0.5936   1.7340   1.4405  266.278   43.359  237.714   88.340 28.56366 98.40707 
1 1 1   35   20   23 o  236.454   48.847   1.7337   0.5140   1.8001   0.5436   1.1734   1.5793  257.357   41.082  215.550   88.637 41.80708 97.69427 
1 1 1   35   20   25 o  208.227   47.275   1.2249   0.4350   1.2290   0.4592   1.1893   1.3590  207.827   44.327  208.627   83.516 -0.8000031 94.55038 
1 1 1   35   20   27 o  179.115   45.615   0.8628   0.4076   0.8910   0.4287   0.5972   1.3160  175.342   46.717  182.888   78.362 -7.545135 91.23062 
1 1 1   35   20   29 o  193.717   45.971   0.5785   0.4475   0.2328   0.4877   2.4197   1.1256  121.012   49.450  266.422   77.510 -145.4100 91.94116 
1 1 1   35   21    0 o  295.143  114.675   3.3565   1.6573   3.3565   1.6573   0.0000   0.0000  295.143  114.675  295.143  114.675 0.000000 0.000000 
1 1 1   35   21    2 o  395.126   67.015   4.9875   1.3613   6.0277   1.9215   3.9393   1.9289  443.530   87.374  346.722  101.635 96.80826 134.0296 
1 1 1   35   21    4 o  172.761   49.498   0.4168   0.6985   0.9053   1.0294   0.0000   0.9508  195.148   74.211  150.374   65.521 44.77348 98.99615 
1 1 1   35   21    6 o  410.268   64.641   5.4724   1.3756   6.9631   1.8492   3.6254   2.0584  491.419   73.193  329.117  106.567 162.3018 129.2818 
1 1 1   35   21    8 o  358.905   56.732   4.2280   0.8949   4.5382   1.0134   3.1286   1.9077  409.262   48.162  308.547  102.734 100.7145 113.4633 
1 1 1   35   21   10 o  314.974   49.728   1.8874   0.6260   1.3204   0.6771   5.2263   1.6431  214.140   59.410  415.807   79.761 -201.6664 99.45579 
1 1 1   35   21   12 f  192.649   50.849   1.0518   0.5110   1.0518   0.5110   0.0000   0.0000  192.649   50.849  ?   ?       ?      ? 
1 1 1   35   21   14 o  357.702   47.930   3.4874   0.8815   3.4874   0.8815   0.0000   0.0000  357.702   47.930  ?   ?       ?      ? 
1 1 1   35   21   16 o  231.533   47.377   1.0774   0.4874   0.7474   0.5333   2.7515   1.2012  165.342   54.284  297.724   77.663 -132.3818 94.75378 
1 1 1   35   21   18 o  232.142   49.571   1.5255   0.5418   1.4879   0.5965   1.7028   1.2942  227.655   52.094  236.630   84.352 -8.974792 99.14108 
1 1 1   35   21   20 o  194.538   50.029   0.9606   0.5429   0.9150   0.5998   1.1678   1.2779  179.330   57.467  209.745   81.910 -30.41560 100.0583 
1 1 1   35   21   22 o  139.067   41.651   0.1838   0.3324   0.1369   0.3509   0.5950   1.0389  102.984   41.997  175.151   71.942 -72.16743 83.30270 
1 1 1   35   21   24 o  198.980   47.002   0.8500   0.3783   0.7480   0.3979   1.8104   1.2209  161.900   45.765  236.059   82.111 -74.15938 94.00394 
1 1 1   35   21   26 o  248.979   47.460   2.2769   0.5731   2.4907   0.6087   0.6071   1.7011  301.973   39.209  195.984   86.443 105.9893 94.91999 
1 1 1   35   21   28 o  166.613   45.832   0.5389   0.4216   0.4246   0.4552   1.2286   1.1181  132.488   49.575  200.739   77.102 -68.25117 91.66461 
1 1 1   35   22    1 o  289.326   54.403   2.4566   0.9770   4.3582   1.3713   0.4962   1.3923  385.138   71.898  193.514   81.666 191.6235 108.8052 
1 1 1   35   22    3 o  128.350   39.354   0.0000   0.4699   0.0000   0.7543   0.0000   0.6006  135.117   58.617  121.584   52.526 13.53204 78.70757 
1 1 1   35   22    5 o  291.798   51.245   2.5030   0.9828   4.5729   1.3284   0.0000   1.4608  402.728   64.158  180.868   79.924 221.8600 102.4894 
1 1 1   35   22    7 o  240.396   59.297   1.6932   0.8897   1.7524   1.1291   1.5964   1.4450  242.546   78.955  238.246   88.490 4.300400 118.5938 
1 1 1   35   22    9 o  256.890   54.051   1.6403   0.6043   1.4520   0.6571   2.6713   1.5376  224.672   56.844  289.108   91.949 -64.43588 108.1014 
1 1 1   35   22   11 o  277.743   81.669   2.3991   1.2438   2.3991   1.2438   0.0000   0.0000  277.743   81.669  ?   ?       ?      ? 
1 1 1   35   22   13 o  336.128   51.329   3.1094   0.8870   3.1094   0.8870   0.0000   0.0000  336.128   51.329  ?   ?       ?      ? 
1 1 1   35   22   15 o  246.843   54.911   1.4241   0.5842   1.2146   0.6281   2.7652   1.5891  204.691   57.378  288.996   93.640 -84.30502 109.8213 
1 1 1   35   22   17 o  417.197   51.121   4.1446   0.8652   3.4717   0.9502   7.4085   2.0927  353.337   52.306  481.056   87.849 -127.7191 102.2418 
1 1 1   35   22   19 o  248.413   58.070   1.9732   0.8422   2.0679   1.0131   1.7614   1.5154  257.719   73.094  239.107   90.254 18.61230 116.1394 
1 1 1   35   22   21 f  213.582   44.616   0.8688   0.3944   0.6376   0.4229   2.4123   1.0926  151.600   48.223  275.564   75.079 -123.9637 89.23215 
1 1 1   35   22   23 o  190.734   48.901   0.9167   0.4858   0.8651   0.5249   1.2243   1.2818  173.061   53.537  208.408   81.848 -35.34641 97.80289 
1 1 1   35   22   25 o  191.921   46.929   0.7261   0.3610   0.6176   0.3778   1.8620   1.2226  147.855   45.366  235.987   82.165 -88.13232 93.85712 
1 1 1   35   22   27 o  266.837   54.561   1.9757   0.5506   1.8540   0.5791   3.1208   1.7760  253.783   46.080  279.892   98.915 -26.10872 109.1217 
1 1 1   35   23    0 o  188.008   98.935   1.5012   1.2693   1.5012   1.2693   0.0000   0.0000  188.008   98.935  188.008   98.935 0.000000 0.000000 
1 1 1   35   23    2 o  351.118   65.976   3.9076   1.2726   2.4214   1.7329   5.6472   1.8749  277.139   97.731  425.096   88.655 -147.9572 131.9513 
1 1 1   35   23    4 o  281.415   63.925   2.5175   1.0610   2.8385   1.4243   2.1174   1.5904  299.941   87.167  262.889   93.528 37.05173 127.8503 
1 1 1   35   23    6 o  270.356   86.010   2.2767   1.3453   2.2767   1.3453   0.0000   0.0000  270.356   86.010  ?   ?       ?      ? 
1 1 1   35   23    8 o  148.381   50.454   0.5727   0.4601   0.5727   0.4601   0.0000   0.0000  148.381   50.454  ?   ?       ?      ? 
1 1 1   35   23   10 o  293.905   49.795   1.6040   0.6292   0.9573   0.6877   4.9256   1.5586  185.626   61.677  402.184   78.194 -216.5584 99.59084 
1 1 1   35   23   12 o  363.304   67.138   4.6466   1.3597   6.0069   1.7812   2.7468   2.1050  440.969   81.568  285.639  106.662 155.3306 134.2769 
1 1 1   35   23   14 f  172.072   51.097   0.8361   0.4849   0.8361   0.4849   0.0000   0.0000  172.072   51.097  ?   ?       ?      ? 
1 1 1   35   23   16 o  227.254   50.423   0.9465   0.4846   0.6744   0.5179   2.8613   1.3738  158.226   53.531  296.282   85.465 -138.0553 100.8455 
1 1 1   35   23   18 o  363.956   55.660   3.8379   0.8315   3.6365   0.9217   4.7179   1.9266  362.044   49.518  365.868   99.701 -3.824402 111.3205 
1 1 1   35   23   20 o  205.977   47.208   1.3819   0.6037   1.7054   0.6706   0.0000   1.3861  241.063   55.288  170.891   76.534 70.17184 94.41537 
1 1 1   35   23   22 o  223.516   45.043   1.0471   0.4011   0.8395   0.4291   2.4808   1.1278  170.830   47.264  276.202   76.692 -105.3718 90.08681 
1 1 1   35   23   24 o  189.880   45.290   1.0596   0.4270   1.1116   0.4521   0.6296   1.2999  196.287   45.664  183.473   78.228 12.81435 90.58012 
1 1 1   35   23   26 o  137.773   40.682   0.2458   0.3264   0.1955   0.3467   0.6384   0.9687  106.123   42.282  169.422   69.515 -63.29858 81.36371 
1 1 1   35   24    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35   24    3 o  243.930   58.278   1.7226   0.8981   2.4457   1.3033   1.0688   1.2392  279.500   83.949  208.359   80.856 71.14133 116.5552 
1 1 1   35   24    5 o  161.147   48.493   0.1856   0.6708   0.0000   0.8257   0.5460   1.1505  140.071   61.045  182.222   75.366 -42.15076 96.98685 
1 1 1   35   24    7 o  203.615   54.564   0.9188   0.7817   0.4583   0.9932   1.6684   1.2671  170.208   70.175  237.022   83.571 -66.81436 109.1272 
1 1 1   35   24    9 o  168.208   45.954   0.6608   0.4481   0.7434   0.4753   0.0000   1.3450  163.780   50.989  172.635   76.468 -8.854752 91.90847 
1 1 1   35   24   11 o  186.931   46.195   0.6463   0.4257   0.4585   0.4627   1.6821   1.0868  138.398   50.295  235.465   77.500 -97.06732 92.38966 
1 1 1   35   24   13 o  194.885   47.726   0.9721   0.4659   0.9455   0.5041   1.1276   1.2200  181.967   51.540  207.803   80.342 -25.83578 95.45243 
1 1 1   35   24   15 o  206.678   49.972   1.1664   0.5158   1.1688   0.5551   1.1509   1.3948  200.980   52.973  212.375   84.751 -11.39424 99.94416 
1 1 1   35   24   17 o  243.891   51.240   1.8007   0.5994   1.8061   0.6623   1.7760   1.4098  249.807   53.196  237.975   87.591 11.83180 102.4796 
1 1 1   35   24   19 o  263.268   50.088   1.5235   0.5757   1.0766   0.6331   3.6584   1.3836  191.347   58.729  335.188   81.155 -143.8407 100.1756 
1 1 1   35   24   21 o  250.138   54.391   1.4348   0.5137   1.2578   0.5398   3.1323   1.6715  207.453   50.975  292.823   96.100 -85.37057 108.7829 
1 1 1   35   24   23 o  186.215   42.928   1.1044   0.4216   1.2283   0.4446   0.0000   1.3274  207.596   43.072  164.834   74.270 42.76276 85.85528 
1 1 1   35   24   25 o  202.400   48.468   0.6886   0.4313   0.4402   0.4586   2.5898   1.2689  133.915   49.830  270.886   83.148 -136.9707 96.93591 
1 1 1   35   25    0 o  221.464  104.892   2.0865   1.3553   2.0865   1.3553   0.0000   0.0000  221.464  104.892  221.464  104.892 0.000000 0.000000 
1 1 1   35   25    2 o  320.061   65.512   3.3875   1.1643   4.0414   1.6114   2.6733   1.6840  354.846   88.599  285.276   96.527 69.57050 131.0236 
1 1 1   35   25    4 o  216.114   56.389   1.2815   0.8281   1.4812   1.2047   1.1026   1.1402  226.262   81.305  205.967   78.156 20.29529 112.7781 
1 1 1   35   25    6 o  151.129   44.594   0.2226   0.5693   0.0000   0.7323   0.5627   0.9052  132.279   57.571  169.980   68.119 -37.70099 89.18842 
1 1 1   35   25    8 o  271.378   59.447   2.0961   0.9068   1.3824   1.1248   3.4213   1.5326  219.072   78.579  323.685   89.225 -104.6136 118.8934 
1 1 1   35   25   10 o  197.375   49.074   1.0977   0.5438   1.1939   0.5915   0.5727   1.3820  203.077   55.206  191.673   81.151 11.40422 98.14821 
1 1 1   35   25   12 o  303.159   64.799   3.2327   1.1970   4.1990   1.5331   1.7241   1.9156  361.951   84.006  244.367   98.683 117.5842 129.5971 
1 1 1   35   25   14 o  135.067   48.310   0.4515   0.4249   0.4515   0.4249   0.0000   0.0000  135.067   48.310  ?   ?       ?      ? 
1 1 1   35   25   16 o  400.015   51.556   4.1113   0.8608   3.5308   0.9581   6.5413   1.9604  354.502   52.570  445.528   88.704 -91.02582 103.1121 
1 1 1   35   25   18 o  289.148   43.504   1.5062   0.5545   0.8266   0.6075   4.8977   1.3573  171.377   57.978  406.919   64.877 -235.5421 87.00867 
1 1 1   35   25   20 o  248.562   58.089   2.1499   0.9059   2.5611   1.0954   1.2598   1.6116  281.715   74.490  215.409   89.154 66.30504 116.1774 
1 1 1   35   25   22 o  167.177   44.393   0.7031   0.4178   0.7125   0.4513   0.6464   1.1060  157.831   49.771  176.524   73.523 -18.69341 88.78506 
1 1 1   35   25   24 o  166.434   58.021   0.7954   0.6098   0.7954   0.6098   0.0000   0.0000  166.434   58.021  ?   ?       ?      ? 
1 1 1   35   26    1 o  285.443   65.181   2.6875   1.1095   3.1607   1.5247   2.1549   1.6177  310.387   90.181  260.498   94.136 49.88940 130.3620 
1 1 1   35   26    3 o  187.710   51.427   0.8163   0.7182   0.5101   1.0238   1.1130   1.0078  173.259   71.321  202.160   74.111 -28.90105 102.8545 
1 1 1   35   26    5 o  294.075   56.535   2.6086   1.1138   4.9840   1.5395   0.0000   1.6134  403.180   77.081  184.970   82.724 218.2100 113.0698 
1 1 1   35   26    7 o  269.207   65.107   2.2614   1.0476   1.9139   1.3029   2.8970   1.7620  247.339   84.894  291.075   98.735 -43.73599 130.2141 
1 1 1   35   26    9 o  172.326   43.815   0.8142   0.4806   1.0016   0.5330   0.0000   1.1108  186.693   53.041  157.960   69.754 28.73262 87.62933 
1 1 1   35   26   11 o  252.321   50.008   1.3291   0.5972   0.7901   0.6666   3.5201   1.3440  171.521   60.601  333.122   79.566 -161.6005 100.0162 
1 1 1   35   26   13 o  143.657   42.729   0.2257   0.3709   0.1758   0.3955   0.5893   1.0671  110.594   44.778  176.720   72.787 -66.12574 85.45798 
1 1 1   35   26   15 o  236.295   46.731   0.8549   0.5010   0.3757   0.5431   3.5895   1.2975  136.285   53.351  336.305   76.738 -200.0194 93.46180 
1 1 1   35   26   17 o  174.379   45.942   0.7808   0.4599   0.8107   0.4996   0.6146   1.1771  168.226   52.261  180.532   75.576 -12.30649 91.88487 
1 1 1   35   26   19 o  244.057   51.426   1.8383   0.5897   1.8266   0.6446   1.8980   1.4600  250.130   51.831  237.985   88.839 12.14455 102.8529 
1 1 1   35   26   21 o  162.469   46.367   0.3495   0.4563   0.1730   0.4969   1.3004   1.1532  118.526   49.316  206.413   78.534 -87.88791 92.73438 
1 1 1   35   26   23 o  160.618   45.713   0.7492   0.3956   0.7492   0.3956   0.0000   0.0000  160.618   45.713  ?   ?       ?      ? 
1 1 1   35   27    0 o  224.433  105.919   2.1730   1.3807   2.1730   1.3807   0.0000   0.0000  224.433  105.919  224.433  105.919 0.000000 0.000000 
1 1 1   35   27    2 o  365.460   68.911   4.5816   1.3321   5.2641   1.8808   3.8946   1.8871  397.910   93.516  333.010  101.240 64.90054 137.8217 
1 1 1   35   27    4 o  285.132   65.101   2.7034   1.0813   2.5733   1.4450   2.8689   1.6302  279.420   89.164  290.844   94.880 -11.42368 130.2018 
1 1 1   35   27    6 o  176.943   49.856   0.6647   0.6973   0.9920   0.8519   0.0000   1.2140  190.128   68.366  163.758   72.586 26.37030 99.71259 
1 1 1   35   27    8 o  178.135   50.507   0.6881   0.7020   0.9619   0.8300   0.0000   1.3157  187.390   67.470  168.881   75.176 18.50958 101.0133 
1 1 1   35   27   10 o  231.482   50.360   1.1118   0.5983   0.5916   0.6760   2.9943   1.2859  158.338   60.155  304.626   80.784 -146.2880 100.7207 
1 1 1   35   27   12 o  312.378   61.856   2.9001   0.9583   2.9001   0.9583   0.0000   0.0000  312.378   61.856  ?   ?       ?      ? 
1 1 1   35   27   14 o  171.665   52.389   0.8465   0.5046   0.8465   0.5046   0.0000   0.0000  171.665   52.389  ?   ?       ?      ? 
1 1 1   35   27   16 o  246.617   54.804   1.9234   0.6736   1.9373   0.7371   1.8529   1.6599  255.003   57.582  238.231   93.265 16.77168 109.6088 
1 1 1   35   27   18 o  230.912   59.460   1.4841   0.7875   1.1925   0.8896   2.5403   1.6931  198.780   70.032  263.043   96.113 -64.26294 118.9209 
1 1 1   35   27   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35   28    1 o  263.183   61.059   2.1616   1.0199   3.2920   1.4732   1.1212   1.4133  315.071   87.715  211.295   84.963 103.7767 122.1172 
1 1 1   35   28    3 o  325.521   61.702   3.6055   1.1749   5.3129   1.6225   1.7233   1.7035  411.292   79.607  239.750   94.294 171.5418 123.4039 
1 1 1   35   28    5 f  246.626   60.624   1.9121   0.9810   2.5969   1.3661   1.1829   1.4097  280.162   86.319  213.089   85.146 67.07254 121.2470 
1 1 1   35   28    7 o  145.348   45.658   0.0000   0.6063   0.0000   0.7024   0.0000   1.2008  128.663   56.180  162.033   71.989 -33.37082 91.31576 
1 1 1   35   28    9 o  158.729   64.149   0.4833   0.8101   0.4833   0.8101   0.0000   0.0000  158.729   64.149  ?   ?       ?      ? 
1 1 1   35   28   11 o  218.954   62.156   1.4464   0.7323   1.4464   0.7323   0.0000   0.0000  218.954   62.156  ?   ?       ?      ? 
1 1 1   35   28   13 o  335.816  104.847   4.3129   2.0080   0.0000   0.0000   4.3129   2.0080  ?   ?   335.816  104.847      ?      ? 
1 1 1   35   28   15 o  209.037   51.604   0.9017   0.6296   0.4008   0.7225   2.4829   1.2836  148.073   60.310  270.002   83.752 -121.9293 103.2073 
1 1 1   35   28   17 o  163.007   58.574   0.7271   0.6253   0.7271   0.6253   0.0000   0.0000  163.007   58.574  ?   ?       ?      ? 
1 1 1   35   28   19 o  195.164   54.521   1.1453   0.5681   1.1453   0.5681   0.0000   0.0000  195.164   54.521  ?   ?       ?      ? 
1 1 1   35   29    0 f  251.011  116.989   2.8269   1.6799   0.0000   0.0000   2.8269   1.6799  251.011  116.989  251.011  116.989 -0.000000 0.000000 
1 1 1   35   29    2 f  283.594   90.257   2.7402   1.4814   2.7402   1.4814   0.0000   0.0000  283.594   90.257  ?   ?       ?      ? 
1 1 1   35   29    4 o  349.817   95.893   4.2875   1.7760   4.2875   1.7760   0.0000   0.0000  349.817   95.893  ?   ?       ?      ? 
1 1 1   35   29    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35   29    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35   29   10 o  225.103   77.440   1.5987   1.0845   1.5987   1.0845   0.0000   0.0000  225.103   77.440  ?   ?       ?      ? 
1 1 1   35   29   12 o  206.684   54.197   1.2992   0.7650   1.5378   0.8907   0.6286   1.4931  221.649   69.929  191.719   82.821 29.92995 108.3947 
1 1 1   35   29   14 o  218.827   53.681   1.3503   0.6231   1.2232   0.6919   1.8953   1.4330  200.719   61.361  236.936   88.099 -36.21706 107.3621 
1 1 1   35   29   16 o  213.470   61.199   1.4043   0.7064   1.4043   0.7064   0.0000   0.0000  213.470   61.199  ?   ?       ?      ? 
1 1 1   35   29   18 o  187.260   47.753   0.6743   0.4778   0.4024   0.5254   1.9755   1.1493  134.906   52.566  239.613   79.739 -104.7070 95.50659 
1 1 1   35   30    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35   30    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   35   30    5 o  209.504   82.454   1.2298   1.3034   0.0000   0.0000   1.2298   1.3034  ?   ?   209.504   82.454      ?      ? 
1 1 1   35   30    7 o  238.921   88.950   1.8820   1.4617   0.0000   0.0000   1.8820   1.4617  ?   ?   238.921   88.950      ?      ? 
1 1 1   35   30    9 o  205.830   56.783   1.2164   0.8796   1.5106   1.0802   0.6373   1.5156  219.068   77.170  192.591   83.319 26.47684 113.5657 
1 1 1   35   30   11 o  175.004   48.563   0.7905   0.5750   0.9381   0.6264   0.0000   1.4497  179.013   58.834  170.996   77.278 8.016602 97.12578 
1 1 1   35   30   13 o  223.580   60.694   1.6342   0.9840   1.8376   1.2400   1.2884   1.6169  233.646   82.643  213.514   88.911 20.13258 121.3883 
1 1 1   35   30   15 o  203.013   49.738   1.3290   0.6066   1.4813   0.6710   0.6481   1.4186  219.963   58.367  186.063   80.552 33.89989 99.47545 
1 1 1   35   31    0 o  105.641   69.352   0.0000   0.9468   0.0000   0.9468   0.0000   0.0000  105.641   69.352  105.641   69.352 0.000000 0.000000 
1 1 1   35   31    2 o  283.585   56.264   2.6241   1.0291   4.5611   1.4398   0.6013   1.4714  377.057   76.880  190.113   82.172 186.9436 112.5288 
1 1 1   35   31    4 o  158.604   48.228   0.2412   0.7063   0.5576   1.0739   0.0000   0.9376  172.952   72.277  144.256   63.873 28.69626 96.45589 
1 1 1   35   31    6 o  216.177   56.655   1.4597   0.8406   1.6127   1.1255   1.2668   1.2641  224.025   78.786  208.330   81.437 15.69492 113.3103 
1 1 1   35   31    8 o  312.718   70.827   3.7330   1.2688   3.6523   1.5926   3.8731   2.0992  318.086   92.098  307.351  107.627 10.73505 141.6531 
1 1 1   35   31   10 o  172.387   47.287   0.7432   0.5074   0.7617   0.5573   0.6534   1.2271  163.702   55.530  181.071   76.554 -17.36873 94.57359 
1 1 1   35   31   12 o  197.099   54.702   0.8353   0.6109   0.6399   0.6614   1.9713   1.5949  157.675   59.599  236.523   91.744 -78.84729 109.4030 
1 1 1   35   31   14 o  176.652   49.095   0.8150   0.5633   0.8479   0.6204   0.6603   1.3441  170.357   58.573  182.947   78.807 -12.59087 98.18998 
1 1 1   35   32    1 o  153.835   46.059   0.3019   0.6392   0.5874   0.8917   0.0000   0.9168  165.414   67.143  142.256   63.067 23.15771 92.11773 
1 1 1   35   32    3 o  202.657   55.969   1.1891   0.8388   1.1500   1.1144   1.2402   1.2739  199.177   76.847  206.138   81.393 -6.961044 111.9386 
1 1 1   35   32    5 o  203.561   57.025   1.1925   0.8824   1.1249   1.1810   1.2780   1.3276  198.942   78.425  208.180   82.807 -9.237900 114.0507 
1 1 1   35   32    7 o  176.054   51.600   0.6162   0.7947   1.0805   1.0523   0.0000   1.2123  193.712   74.695  158.396   71.209 35.31599 103.1991 
1 1 1   35   32    9 o  169.378   50.045   0.5685   0.6903   0.5239   0.8362   0.6640   1.2229  158.676   64.785  180.079   76.294 -21.40355 100.0898 
1 1 1   35   32   11 o  212.723   58.459   1.4487   0.8838   1.4944   1.0525   1.3395   1.6273  213.617   76.076  211.828   88.782 1.788483 116.9180 
1 1 1   35   33    0 o  164.377   92.077   1.2228   1.1696   0.0000   0.0000   1.2228   1.1696  164.377   92.077  164.377   92.077 -0.000000 0.000000 
1 1 1   35   33    2 o  167.095   51.649   0.3051   0.8486   0.5927   1.1827   0.0000   1.2182  176.038   74.827  158.152   71.215 17.88542 103.2989 
1 1 1   35   33    4 o  176.997   53.278   0.6053   0.8437   0.5797   1.1155   0.6394   1.2896  172.762   73.013  181.233   77.611 -8.471802 106.5566 
1 1 1   35   33    6 o  246.876   58.603   2.0634   0.9988   3.3527   1.3830   0.6581   1.4439  307.483   84.757  186.269   80.953 121.2136 117.2060 
1 1 1   36    0    0 o  104.317   63.353   0.2677   0.6326   0.0000   0.0000   0.2677   0.6326  104.317   63.353  104.317   63.353 -0.000000 0.000000 
1 1 1   36    0    2 o  199.245   66.558   1.5945   0.7781   1.4293   1.1350   1.7411   1.0689  187.451   94.792  211.040   93.458 0.000000 0.000000 
1 1 1   36    0    4 o  170.947   59.939   1.1788   0.6526   0.9089   1.0373   1.3556   0.8395  154.592   86.666  187.301   82.825 0.000000 0.000000 
1 1 1   36    0    6 o  140.028   52.901   0.6084   0.5431   1.2393   0.8681   0.2028   0.6961  176.688   83.915  103.368   64.438 0.000000 0.000000 
1 1 1   36    0    8 o  339.521   65.013   3.6446   0.9670   3.3669   1.2492   4.0597   1.5274  325.318   86.445  353.725   97.130 -0.000000 0.000000 
1 1 1   36    0   10 o  207.899   83.478   1.6060   0.8677   0.0000   0.0000   1.6060   0.8677  207.899   83.478  207.899   83.478 0.000000 0.000000 
1 1 1   36    0   12 o  357.963   75.478   3.8343   1.2225   0.0000   0.0000   3.8343   1.2225  357.963   75.478  357.963   75.478 0.000000 0.000000 
1 1 1   36    0   14 f  421.080   71.659   5.1211   1.4164   0.0000   0.0000   5.1211   1.4164  421.080   71.659  421.080   71.659 0.000000 0.000000 
1 1 1   36    0   16 o  135.339   69.329   0.7246   0.6117   0.7246   0.6117   0.0000   0.0000  135.339   69.329  135.339   69.329 -0.000000 0.000000 
1 1 1   36    0   18 o  208.486   97.856   1.7761   1.1769   0.0000   0.0000   1.7761   1.1769  208.486   97.856  208.486   97.856 -0.000000 0.000000 
1 1 1   36    0   20 o  142.093   82.539   0.7304   0.9896   0.0000   0.0000   0.7304   0.9896  142.093   82.539  142.093   82.539 -0.000000 0.000000 
1 1 1   36    0   22 o  355.455   70.478   4.6038   1.1153   3.3235   1.8641   5.3175   1.3918  281.181  123.402  429.728   68.123 0.000000 0.000000 
1 1 1   36    0   24 o  567.424   61.227   9.5353   1.5467   9.6068   1.9184   9.4026   2.6148  585.397   65.887  549.450  103.217 -0.000000 0.000000 
1 1 1   36    0   26 o  327.017  120.868   4.1752   1.8839   0.0000   0.0000   4.1752   1.8839  327.017  120.868  327.017  120.868 -0.000000 0.000000 
1 1 1   36    0   28 f  186.903   83.195   1.4052   0.8469   1.4052   0.8469   0.0000   0.0000  186.903   83.195  186.903   83.195 -0.000000 0.000000 
1 1 1   36    0   30 o  149.133   57.458   0.9251   0.6104   0.7736   1.1228   0.9886   0.7273  144.085   85.943  154.182   76.285 0.000000 0.000000 
1 1 1   36    0   32 o  163.282   58.736   1.0326   0.5884   0.7802   0.7139   1.5670   1.0389  136.773   73.527  189.790   91.615 -0.000000 0.000000 
1 1 1   36    0   34 o  117.773   48.904   0.5089   0.4583   0.3890   0.9588   0.5444   0.5218  119.827   75.108  115.720   62.650 0.000000 0.000000 
1 1 1   36    1    1 o  195.807   44.905   1.0633   0.5297   1.3130   0.6520   0.5785   0.9087  216.258   57.608  175.356   68.899 40.90211 89.80946 
1 1 1   36    1    3 o  353.622   41.292   3.4442   0.7331   3.2544   1.0467   3.6270   1.0271  340.620   62.054  366.624   54.492 -26.00348 82.58392 
1 1 1   36    1    5 o  288.073   43.329   2.3423   0.6218   2.3325   0.8685   2.3527   0.8908  287.667   60.632  288.478   61.913 -0.8110962 86.65723 
1 1 1   36    1    7 o  507.585   36.106   6.9185   0.9420   7.1096   1.3457   6.7348   1.3191  514.537   50.871  500.633   51.251 13.90366 72.21194 
1 1 1   36    1    9 o  454.078   49.365   5.8959   1.1013   4.8430   1.5961   6.8526   1.5215  407.032   79.122  501.125   59.054 -94.09229 98.73004 
1 1 1   36    1   11 o  233.797   46.564   1.5655   0.5898   1.2921   0.8476   1.8222   0.8212  215.092   68.255  252.502   63.358 -37.41069 93.12844 
1 1 1   36    1   13 o  233.889   42.731   1.5012   0.5807   2.5614   0.8337   0.5018   0.8094  303.008   55.562  164.770   64.935 138.2382 85.46154 
1 1 1   36    1   15 o  260.910   40.123   1.9317   0.5236   1.6731   0.7493   2.1784   0.7319  242.158   60.392  279.662   52.842 -37.50395 80.24680 
1 1 1   36    1   17 o  264.198   40.329   1.9764   0.5317   1.9384   0.7540   2.0140   0.7500  261.389   57.657  267.007   56.403 -5.617371 80.65718 
1 1 1   36    1   19 o  272.965   40.640   2.1223   0.5525   1.8918   0.7853   2.3483   0.7776  256.684   60.494  289.245   54.285 -32.56036 81.28014 
1 1 1   36    1   21 o  207.441   40.772   1.2290   0.4551   1.0141   0.6458   1.4410   0.6414  190.259   59.470  224.623   55.793 -34.36423 81.54457 
1 1 1   36    1   23 o  171.132   38.655   0.7843   0.3911   1.0425   0.5713   0.5565   0.5366  191.501   55.077  150.764   54.252 40.73738 77.30907 
1 1 1   36    1   25 o  154.466   44.328   0.4125   0.4841   0.3657   1.0186   0.4262   0.5502  167.322   70.190  141.610   54.159 25.71187 88.65573 
1 1 1   36    1   27 o  232.019   51.319   1.5904   0.6067   1.5947   0.6806   1.5738   1.3392  233.630   57.133  230.407   85.267 3.222321 102.6384 
1 1 1   36    1   29 o  184.564   41.672   0.9443   0.4411   1.2203   0.7005   0.7630   0.5679  202.947   61.678  166.182   56.055 36.76439 83.34484 
1 1 1   36    1   31 o  267.518   41.525   2.1300   0.5565   2.4554   0.8042   1.8308   0.7709  289.085   56.131  245.951   61.210 43.13361 83.05038 
1 1 1   36    1   33 o  269.619   40.901   2.2216   0.5742   1.2703   0.8104   3.1803   0.8136  202.726   66.934  336.512   47.025 -133.7854 81.80151 
1 1 1   36    2    0 o  504.774   92.427   7.5505   2.1610   7.5505   2.1610   0.0000   0.0000  504.774   92.427  504.774   92.427 0.000000 0.000000 
1 1 1   36    2    2 o  169.731   46.161   0.5866   0.5671   0.5527   0.8280   0.6166   0.7782  169.340   65.989  170.122   64.565 -0.7820282 92.32102 
1 1 1   36    2    4 o  243.862   50.172   1.7565   0.6655   1.9853   0.8146   1.2976   1.1539  264.884   61.065  222.840   79.624 42.04393 100.3444 
1 1 1   36    2    6 o  409.689   50.357   4.4402   0.9600   3.9601   1.1390   5.6184   1.7843  381.634   58.049  437.745   82.302 -56.11118 100.7140 
1 1 1   36    2    8 o  198.096   48.364   0.9894   0.6399   1.4887   0.8488   0.3322   0.9738  228.918   67.511  167.275   69.273 61.64346 96.72869 
1 1 1   36    2   10 o  223.276   70.609   1.4023   0.9077   1.4023   0.9077   0.0000   0.0000  223.276   70.609  ?   ?       ?      ? 
1 1 1   36    2   12 o  319.185   48.450   2.8346   0.7986   4.2285   1.2039   1.7393   1.0672  392.915   59.599  245.455   76.405 147.4596 96.90057 
1 1 1   36    2   14 o  479.204   45.060   6.3444   1.1063   7.0911   1.6037   5.6663   1.5281  507.230   61.495  451.179   65.878 56.05078 90.11931 
1 1 1   36    2   16 o  360.230   36.302   3.5082   0.6688   3.0591   0.9290   3.9915   0.9636  335.400   53.873  385.060   48.673 -49.65976 72.60435 
1 1 1   36    2   18 o  198.532   39.553   1.1116   0.4210   1.1546   0.6007   1.0701   0.5902  202.081   55.922  194.984   55.951 7.096924 79.10619 
1 1 1   36    2   20 o  332.024   38.572   3.0751   0.6363   3.5641   0.9012   2.5889   0.8986  362.999   48.290  301.048   60.162 61.95035 77.14494 
1 1 1   36    2   22 o  264.075   42.161   2.0110   0.5590   2.0874   0.7931   1.9355   0.7880  269.465   58.889  258.685   60.352 10.78052 84.32291 
1 1 1   36    2   24 o  276.514   53.641   2.5359   0.8163   1.4066   1.4664   3.0429   0.9826  228.511   88.158  324.516   61.136 -96.00525 107.2818 
1 1 1   36    2   26 o  147.061   36.570   0.5481   0.3435   0.6153   0.4935   0.4849   0.4785  152.771   52.251  141.350   51.179 11.42108 73.13956 
1 1 1   36    2   28 o  197.040   49.009   0.8948   0.5068   0.7278   0.5613   1.6301   1.1782  163.601   55.729  230.480   80.634 -66.87894 98.01833 
1 1 1   36    2   30 o  179.793   43.480   0.9120   0.4831   1.0155   0.7063   0.8209   0.6622  187.148   62.516  172.438   60.447 14.71007 86.96002 
1 1 1   36    2   32 o  215.005   42.782   1.4057   0.4925   1.3938   0.6824   1.4185   0.7115  214.383   59.705  215.627   61.289 -1.243713 85.56342 
1 1 1   36    2   34 o  268.582   43.260   2.2283   0.5850   2.0165   0.8250   2.4425   0.8296  253.714   63.419  283.451   58.854 -29.73671 86.52030 
1 1 1   36    3    1 o  419.570   50.094   4.8591   0.9984   5.3075   1.7307   4.6355   1.2222  425.794   82.037  413.345   57.513 12.44937 100.1887 
1 1 1   36    3    3 o  444.494   46.442   5.2645   1.0136   6.0856   1.7553   4.8538   1.2414  465.920   73.279  423.067   57.074 42.85306 92.88327 
1 1 1   36    3    5 o  183.963   40.823   0.8899   0.4333   1.1705   0.6525   0.6686   0.5794  204.659   58.860  163.267   56.581 41.39166 81.64541 
1 1 1   36    3    7 o  380.901   39.024   3.9495   0.7357   4.8780   1.0802   3.1462   1.0048  426.724   49.239  335.078   60.557 91.64600 78.04859 
1 1 1   36    3    9 o  391.304   48.895   4.2735   0.9596   4.8031   1.4519   3.8627   1.2787  415.556   67.957  367.053   70.320 48.50269 97.79089 
1 1 1   36    3   11 o  300.883   79.792   2.6886   1.2545   2.6886   1.2545   0.0000   0.0000  300.883   79.792  ?   ?       ?      ? 
1 1 1   36    3   13 o  309.030   73.745   2.7984   1.1554   2.7984   1.1554   0.0000   0.0000  309.030   73.745  ?   ?       ?      ? 
1 1 1   36    3   15 o  237.846   43.736   1.5134   0.5366   2.1997   0.8754   1.1004   0.6791  277.157   62.876  198.534   60.809 78.62262 87.47104 
1 1 1   36    3   17 o  259.263   40.918   1.9088   0.5316   1.9813   0.7582   1.8388   0.7457  264.344   57.430  254.183   58.300 10.16112 81.83568 
1 1 1   36    3   19 o  248.926   48.885   1.6484   0.5961   2.2943   1.1398   1.4052   0.6994  276.439   77.224  221.414   59.962 55.02461 97.77009 
1 1 1   36    3   21 o  186.642   44.120   0.9929   0.5019   0.3340   1.0036   1.2126   0.5796  166.786   69.799  206.497   53.986 -39.71138 88.24083 
1 1 1   36    3   23 o  209.313   49.769   1.2538   0.6101   1.0230   1.1418   1.3460   0.7218  203.277   77.951  215.348   61.898 -12.07086 99.53781 
1 1 1   36    3   25 o  177.555   40.247   0.8623   0.4162   1.0620   0.6268   0.7048   0.5566  192.500   58.308  162.610   55.492 29.88924 80.49301 
1 1 1   36    3   27 o  244.703   41.708   1.7569   0.5200   1.5502   0.7244   1.9766   0.7468  228.970   60.592  260.435   57.330 -31.46518 83.41573 
1 1 1   36    3   29 o  296.383   51.991   2.6472   0.7055   2.5512   0.8085   2.9531   1.4439  296.862   55.002  295.903   88.244 0.9589539 103.9821 
1 1 1   36    3   31 o  292.519   53.040   2.4874   0.7118   2.2126   0.8144   3.3759   1.4646  271.618   59.928  313.421   87.530 -41.80362 106.0800 
1 1 1   36    3   33 o  192.240   38.092   1.1037   0.4192   0.6014   0.6054   1.5663   0.5810  153.289   57.210  231.191   50.308 -77.90190 76.18338 
1 1 1   36    4    0 f  229.169   73.843   1.7601   0.7682   1.7601   0.7682   0.0000   0.0000  229.169   73.843  229.169   73.843 0.000000 0.000000 
1 1 1   36    4    2 o  454.870   55.906   6.2110   1.1393   6.6234   1.3687   5.2809   2.0555  495.655   53.712  414.085   98.066 81.57028 111.8121 
1 1 1   36    4    4 o  156.963   41.001   0.4656   0.3936   0.8397   0.7786   0.3372   0.4562  183.758   65.432  130.168   49.425 53.59050 82.00131 
1 1 1   36    4    6 o  182.267   42.970   0.8411   0.4530   1.0301   0.7784   0.7443   0.5570  196.253   65.629  168.281   55.486 27.97214 85.94096 
1 1 1   36    4    8 o  308.416   47.677   3.0427   0.7232   1.6514   1.2625   3.7223   0.8824  243.195   83.562  373.636   45.933 -130.4410 95.35451 
1 1 1   36    4   10 f  305.474   48.913   2.7406   0.7702   1.9887   1.1568   3.3392   1.0322  260.793   79.262  350.154   57.337 -89.36154 97.82619 
1 1 1   36    4   12 o  295.807   50.102   2.5041   0.7502   2.9863   1.1372   2.1326   0.9982  320.934   70.819  270.680   70.890 50.25381 100.2036 
1 1 1   36    4   14 f  128.612   55.495   0.0000   0.6688   0.0000   0.6688   0.0000   0.0000  128.612   55.495  ?   ?       ?      ? 
1 1 1   36    4   16 o  139.255   39.688   0.2780   0.4302   0.2089   0.5562   0.3808   0.6786  129.408   52.836  149.102   59.236 -19.69418 79.37551 
1 1 1   36    4   18 o  232.214   39.467   1.5212   0.4770   2.0774   0.6926   1.0196   0.6577  272.966   51.237  191.462   60.045 81.50389 78.93394 
1 1 1   36    4   20 o  196.984   55.184   1.0992   0.5812   0.0000   0.0000   1.0992   0.5812  ?   ?   196.984   55.184      ?      ? 
1 1 1   36    4   22 o  157.112   38.001   0.6212   0.3815   0.8724   0.5363   0.3639   0.5428  176.800   54.018  137.424   53.463 39.37656 76.00169 
1 1 1   36    4   24 o  237.216   38.372   1.5788   0.4859   0.8913   0.6675   2.3537   0.7087  180.302   60.773  294.130   46.866 -113.8282 76.74496 
1 1 1   36    4   26 o  176.600   38.915   0.8546   0.4002   0.5921   0.5466   1.1577   0.5874  153.106   54.794  200.094   55.274 -46.98837 77.83045 
1 1 1   36    4   28 o  216.039   40.866   1.3336   0.4799   0.8464   0.6477   1.9266   0.7146  174.826   59.862  257.251   55.649 -82.42511 81.73246 
1 1 1   36    4   30 o  238.060   53.646   1.8013   0.7250   1.8430   0.8941   1.7214   1.2389  243.617   68.517  232.502   82.565 11.11568 107.2925 
1 1 1   36    4   32 o  238.061   43.054   1.7377   0.5314   1.9179   0.7379   1.5435   0.7659  252.587   58.042  223.534   63.606 29.05237 86.10766 
1 1 1   36    4   34 o  328.918   40.482   3.2535   0.6497   4.3728   0.9382   2.2224   0.9005  393.675   46.352  264.162   66.383 129.5133 80.96458 
1 1 1   36    5    1 o  384.764   42.744   4.1132   0.8172   3.5182   1.1621   4.6953   1.1495  352.211   66.618  417.317   53.577 -65.10565 85.48891 
1 1 1   36    5    3 o  351.321   41.170   3.3797   0.7273   3.6778   1.0708   3.1243   0.9910  368.309   56.549  334.333   59.851 33.97531 82.34018 
1 1 1   36    5    5 o  292.752   42.731   2.4161   0.6187   2.4003   0.9275   2.4287   0.8304  290.548   63.835  294.957   56.822 -4.409546 85.46120 
1 1 1   36    5    7 o  243.333   45.159   1.5809   0.5457   2.0793   0.9604   1.3432   0.6632  268.372   69.168  218.293   58.078 50.07869 90.31740 
1 1 1   36    5    9 o  184.359   43.556   0.9081   0.4872   0.7211   0.7641   1.0362   0.6325  175.270   64.487  193.448   58.566 -18.17741 87.11248 
1 1 1   36    5   11 o  363.131   49.696   3.7267   0.8865   4.3187   1.3720   3.3024   1.1616  387.376   71.525  338.885   69.014 48.49045 99.39186 
1 1 1   36    5   13 o  137.578   37.226   0.3778   0.3711  -0.0000   0.6670   0.5472   0.4466  128.486   55.429  146.669   49.706 -18.18341 74.45230 
1 1 1   36    5   15 o  238.325   47.190   1.6013   0.5722   1.7257   1.0199   1.5441   0.6912  243.564   74.506  233.087   57.933 10.47655 94.37922 
1 1 1   36    5   17 o  280.413   91.264   2.4056   1.5086   0.0000   0.0000   2.4056   1.5086  ?   ?   280.413   91.264      ?      ? 
1 1 1   36    5   19 o  491.829   62.994   6.7638   1.5929   0.0000   0.0000   6.7638   1.5929  ?   ?   491.829   62.994      ?      ? 
1 1 1   36    5   21 o  346.748   46.319   3.6056   0.7784   4.2104   1.0157   2.7452   1.2115  393.100   50.259  300.396   77.818 92.70349 92.63719 
1 1 1   36    5   23 o  262.655   41.770   1.9975   0.5495   1.9624   0.8048   2.0282   0.7520  259.450   61.310  265.860   56.746 -6.409851 83.54031 
1 1 1   36    5   25 o  356.478   38.925   3.5450   0.7125   3.3351   1.0030   3.7587   1.0122  345.060   56.540  367.896   53.515 -22.83597 77.85011 
1 1 1   36    5   27 o  171.768   39.121   0.8264   0.4021   1.0276   0.5478   0.5912   0.5921  188.778   53.818  154.759   56.793 34.01968 78.24255 
1 1 1   36    5   29 o  175.659   39.735   0.8668   0.4178   0.5853   0.5910   1.1481   0.5907  153.494   56.674  197.824   55.710 -44.33055 79.47033 
1 1 1   36    5   31 o  265.467   49.543   2.5676   0.7261   3.0133   0.8168   0.8888   1.5853  328.048   48.430  202.886   86.445 125.1613 99.08684 
1 1 1   36    5   33 o  169.292   38.580   0.8122   0.3876   1.0753   0.5738   0.5913   0.5257  189.410   55.410  149.175   53.696 40.23573 77.15916 
1 1 1   36    6    0 o  167.329   73.869   1.0725   0.6678   0.0000   0.0000   1.0725   0.6678  167.329   73.869  167.329   73.869 -0.000000 0.000000 
1 1 1   36    6    2 o  193.081   42.641   1.0188   0.4674   1.0501   0.7035   0.9940   0.6253  195.954   62.180  190.208   58.367 5.746078 85.28259 
1 1 1   36    6    4 o  349.290   41.286   3.3320   0.7201   3.9511   1.0706   2.8205   0.9730  382.336   54.464  316.244   62.062 66.09143 82.57148 
1 1 1   36    6    6 o  197.253   40.222   1.0945   0.4347   0.8925   0.6540   1.2543   0.5818  182.857   60.117  211.649   53.452 -28.79193 80.44381 
1 1 1   36    6    8 o  403.825   53.073   4.8793   1.0387   3.6832   1.5997   5.7512   1.3658  348.227   89.013  459.423   57.824 -111.1958 106.1460 
1 1 1   36    6   10 o  521.618   50.353   7.4538   1.2472   11.285   1.9394   4.7520   1.6286  642.560   58.706  400.676   81.825 241.8843 100.7062 
1 1 1   36    6   12 f  253.182   46.952   1.9409   0.6650   0.9339   1.0338   2.6516   0.8685  198.606   74.634  307.758   56.988 -109.1512 93.90356 
1 1 1   36    6   14 o  657.620   45.505   11.894   1.5298   13.733   2.2917   10.416   2.0545  703.772   63.338  611.468   65.354 92.30402 91.00954 
1 1 1   36    6   16 o  203.067   46.448   1.1362   0.5196   1.0527   1.0001   1.1671   0.6081  202.885   73.909  203.249   56.276 -0.3637238 92.89568 
1 1 1   36    6   18 o  212.301   58.247   1.2850   0.6549   1.2850   0.6549   0.0000   0.0000  212.301   58.247  ?   ?       ?      ? 
1 1 1   36    6   20 o  257.209   44.295   2.0043   0.5897   1.3877   0.9929   2.3405   0.7330  220.574   74.120  293.843   48.523 -73.26849 88.59045 
1 1 1   36    6   22 o  144.926   37.251   0.4899   0.3604   0.6153   0.5269   0.3795   0.4941  154.935   53.941  134.917   51.390 20.01851 74.50153 
1 1 1   36    6   24 o  539.393   37.421   8.0741   1.0307   9.0764   1.4572   7.0707   1.4581  575.568   49.244  503.219   56.358 72.34848 74.84117 
1 1 1   36    6   26 o  308.336   42.267   2.7700   0.6456   2.9984   0.9183   2.5469   0.9077  322.517   57.491  294.156   61.974 28.36017 84.53384 
1 1 1   36    6   28 o  287.253   40.709   2.4032   0.5889   1.6469   0.8158   3.2262   0.8511  233.135   65.404  341.371   48.491 -108.2359 81.41871 
1 1 1   36    6   30 o  133.872   34.659   0.4174   0.3149   0.5771   0.4618   0.2785   0.4305  146.881   50.535  120.863   47.446 26.01826 69.31779 
1 1 1   36    6   32 o  242.260   54.159   1.5584   0.7430   0.8487   0.8884   3.2106   1.3554  178.662   68.701  305.857   83.743 -127.1952 108.3178 
1 1 1   36    7    1 o  349.841   41.554   3.3753   0.7310   3.5670   1.0385   3.1871   1.0292  362.876   55.666  336.807   61.712 26.06897 83.10880 
1 1 1   36    7    3 o  694.683   37.719   13.005   1.3431   13.235   1.9839   12.810   1.8249  699.196   55.190  690.170   51.430 9.025208 75.43894 
1 1 1   36    7    5 f  144.479   36.482   0.4937   0.3425   0.5252   0.4901   0.4636   0.4789  147.310   51.970  141.647   51.214 5.663269 72.96452 
1 1 1   36    7    7 o  330.771   44.827   3.0950   0.7397   3.3844   1.0030   2.7500   1.0953  353.309   55.217  308.233   70.632 45.07599 89.65350 
1 1 1   36    7    9 o  193.374   41.577   0.8687   0.4326   1.5753   0.7893   0.5654   0.5171  234.871   63.737  151.876   53.406 82.99477 83.15379 
1 1 1   36    7   11 o  372.157   61.129   3.8104   1.1696   0.0000   0.0000   3.8104   1.1696  ?   ?   372.157   61.129      ?      ? 
1 1 1   36    7   13 o  129.121   47.577   0.3672   0.4161   0.0000   0.0000   0.3672   0.4161  ?   ?   129.121   47.577      ?      ? 
1 1 1   36    7   15 o  132.118   48.560   0.3898   0.4331   0.0000   0.0000   0.3898   0.4331  ?   ?   132.118   48.560      ?      ? 
1 1 1   36    7   17 o  220.517   42.271   1.4023   0.5063   1.7907   0.6984   0.9721   0.7349  251.459   55.507  189.576   63.769 61.88249 84.54265 
1 1 1   36    7   19 o  494.324   57.278   7.3692   1.2120   7.5010   1.4112   6.9986   2.3663  524.143   52.367  464.506  101.887 59.63660 114.5566 
1 1 1   36    7   21 o  174.096   42.349   0.8050   0.4473   0.7222   0.7674   0.8476   0.5504  173.265   64.463  174.927   54.941 -1.662231 84.69887 
1 1 1   36    7   23 o  199.032   40.616   1.1312   0.4424   1.3388   0.6356   0.9360   0.6162  215.347   56.649  182.716   58.220 32.63094 81.23196 
1 1 1   36    7   25 o  161.790   38.513   0.6456   0.3864   1.0194   0.5986   0.3786   0.5059  188.581   56.951  134.999   51.860 53.58180 77.02499 
1 1 1   36    7   27 o  202.437   41.705   1.1988   0.4603   1.2872   0.6703   1.1200   0.6331  208.954   59.520  195.919   58.436 13.03580 83.41077 
1 1 1   36    7   29 o  221.331   40.612   1.4641   0.4703   1.6799   0.6498   1.2266   0.6817  239.729   54.019  202.932   60.658 36.79782 81.22424 
1 1 1   36    7   31 o  229.561   41.722   1.5929   0.4955   1.5181   0.7017   1.6672   0.6997  223.723   59.843  235.399   58.153 -11.67636 83.44398 
1 1 1   36    7   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   36    8    0 o  116.208   66.858   0.4676   0.6397   0.0000   0.0000   0.4676   0.6397  116.208   66.858  116.208   66.858 -0.000000 0.000000 
1 1 1   36    8    2 o  250.349   51.093   1.8655   0.7283   1.0945   1.1497   2.3824   0.9413  211.833   78.881  288.866   64.959 -77.03278 102.1857 
1 1 1   36    8    4 o  350.551   55.327   3.8990   0.9870   2.2946   1.6178   4.8501   1.2457  278.900   94.610  422.202   57.386 -143.3015 110.6541 
1 1 1   36    8    6 o  433.728   52.830   5.5764   1.0007   4.9418   1.8945   5.8219   1.1785  401.600   93.504  465.857   49.204 -64.25681 105.6606 
1 1 1   36    8    8 o  245.501   53.546   1.6869   0.6568   0.0000   0.0000   1.6869   0.6568  ?   ?   245.501   53.546      ?      ? 
1 1 1   36    8   10 o  184.644   56.376   0.9395   0.5843   0.0000   0.0000   0.9395   0.5843  ?   ?   184.644   56.376      ?      ? 
1 1 1   36    8   12 o  232.953   62.444   1.5522   0.7631   0.0000   0.0000   1.5522   0.7631  ?   ?   232.953   62.444      ?      ? 
1 1 1   36    8   14 o  231.503   47.830   1.3904   0.5987   2.2109   1.0092   0.9447   0.7438  274.635   70.963  188.372   64.149 86.26312 95.66000 
1 1 1   36    8   16 o  223.882   40.903   1.4110   0.4760   1.7041   0.7060   1.1666   0.6447  244.746   57.142  203.018   58.540 41.72845 81.80589 
1 1 1   36    8   18 o  197.617   40.346   1.1014   0.4301   1.1373   0.6532   1.0738   0.5715  200.295   59.265  194.940   54.762 5.354279 80.69221 
1 1 1   36    8   20 o  381.321   37.681   3.9863   0.7379   4.0820   1.0740   3.9007   1.0155  385.223   54.226  377.418   52.336 7.804413 75.36251 
1 1 1   36    8   22 o  223.817   83.385   1.3806   1.2850   0.0000   0.0000   1.3806   1.2850  ?   ?   223.817   83.385      ?      ? 
1 1 1   36    8   24 o  405.928   36.961   4.5679   0.7692   4.2391   1.0945   4.8888   1.0813  390.176   54.559  421.680   49.878 -31.50412 73.92240 
1 1 1   36    8   26 o  257.784   41.298   1.9592   0.5367   1.6556   0.7682   2.2487   0.7502  235.783   62.400  279.784   54.113 -44.00052 82.59535 
1 1 1   36    8   28 o  222.926   37.915   1.4892   0.4745   2.1840   0.6434   0.6607   0.7026  282.274   44.338  163.577   61.518 118.6971 75.83054 
1 1 1   36    8   30 o  254.305   42.932   1.9505   0.5533   1.8709   0.7659   2.0374   0.8003  248.921   60.449  259.690   60.979 -10.76941 85.86320 
1 1 1   36    8   32 o  186.064   45.372   1.0345   0.5260   0.9039   0.8355   1.1203   0.6769  179.795   67.188  192.334   60.992 -12.53880 90.74322 
1 1 1   36    9    1 o  368.123   49.090   3.8445   0.8495   3.8157   1.4880   3.8584   1.0346  358.249   82.492  377.997   53.239 -19.74768 98.17990 
1 1 1   36    9    3 o  473.921   46.279   6.0269   1.0296   6.7011   1.9231   5.7560   1.2191  485.409   77.058  462.433   51.275 22.97525 92.55872 
1 1 1   36    9    5 f  297.393   49.007   2.4973   0.6862   2.6795   1.2677   2.4218   0.8161  300.249   80.482  294.537   55.942 5.711395 98.01451 
1 1 1   36    9    7 o  356.526   50.739   3.6990   0.8109   3.4743   1.5616   3.7820   0.9489  337.732   88.767  375.319   49.173 -37.58667 101.4771 
1 1 1   36    9    9 f  305.711   46.872   2.4940   0.6586   3.1798   1.2539   2.2327   0.7740  328.897   75.723  282.524   55.264 46.37344 93.74461 
1 1 1   36    9   11 o  180.001   43.429   0.8667   0.4669   0.5422   0.8983   0.9868   0.5465  171.863   68.193  188.139   53.797 -16.27621 86.85838 
1 1 1   36    9   13 o  234.279   48.556   1.5314   0.6032   1.8110   1.0113   1.3771   0.7514  248.875   73.766  219.683   63.162 29.19252 97.11232 
1 1 1   36    9   15 o  282.259   47.454   2.0366   0.6428   3.2725   1.1846   1.5208   0.7653  334.573   71.061  229.945   62.912 104.6280 94.90816 
1 1 1   36    9   17 o  344.337   38.502   3.2393   0.6808   3.4020   0.9929   3.0950   0.9352  352.335   54.814  336.339   54.082 15.99631 77.00305 
1 1 1   36    9   19 o  192.133   37.120   0.9214   0.4310   1.8079   0.6453   0.2074   0.5792  253.581   51.262  130.684   53.700 122.8969 74.23924 
1 1 1   36    9   21 o  206.974   40.798   1.2083   0.4494   1.4543   0.6835   1.0209   0.5966  224.227   58.626  189.720   56.754 34.50772 81.59677 
1 1 1   36    9   23 o  417.454   57.714   4.4886   1.1854   2.3262   1.4215   9.4253   2.1478  270.060   88.622  564.849   73.959 -294.7883 115.4288 
1 1 1   36    9   25 o  153.894   37.292   0.6249   0.3518   0.6234   0.5520   0.6259   0.4565  155.581   55.129  152.207   50.236 3.374390 74.58487 
1 1 1   36    9   27 f  225.833   43.233   1.5363   0.5281   1.9176   0.7299   1.1176   0.7649  255.762   56.971  195.905   65.044 59.85664 86.46655 
1 1 1   36    9   29 o  324.001   48.930   3.0424   0.7587   4.0169   1.3181   2.5596   0.9278  357.371   74.170  290.632   63.839 66.73877 97.85948 
1 1 1   36    9   31 o  143.050   59.917   0.2894   0.7404   0.2894   0.7404   0.0000   0.0000  143.050   59.917  ?   ?       ?      ? 
1 1 1   36    9   33 o  218.137   50.973   1.4884   0.5785   1.4879   0.6346   1.4909   1.4071  221.327   55.784  214.948   85.329 6.378754 101.9455 
1 1 1   36   10    0 o  144.019   66.195   0.8017   0.5370   0.8017   0.5370   0.0000   0.0000  144.019   66.195  144.019   66.195 0.000000 0.000000 
1 1 1   36   10    2 o  463.614   37.962   5.7802   0.9017   6.2209   1.3455   5.4208   1.2149  479.162   54.616  448.066   52.739 31.09537 75.92302 
1 1 1   36   10    4 o  242.217   61.014   1.6695   0.7594   1.6695   0.7594   0.0000   0.0000  242.217   61.014  ?   ?       ?      ? 
1 1 1   36   10    6 o  508.181   56.324   7.0279   1.4716   7.0279   1.4716   0.0000   0.0000  508.181   56.324  ?   ?       ?      ? 
1 1 1   36   10    8 o  214.433   46.199   1.3358   0.5571   0.9286   0.9696   1.5364   0.6807  195.850   72.538  233.015   57.233 -37.16507 92.39791 
1 1 1   36   10   10 o  229.247   45.714   1.6107   0.6120   0.5756   1.0474   2.1471   0.7540  181.619   73.102  276.874   54.910 -95.25514 91.42776 
1 1 1   36   10   12 o  178.291   41.768   0.8821   0.4608   0.2760   0.8638   1.1232   0.5448  156.603   65.080  199.979   52.372 -43.37585 83.53615 
1 1 1   36   10   14 o  493.105   42.639   6.3683   1.0303   7.9378   1.8141   5.6211   1.2517  531.934   66.332  454.277   53.594 77.65759 85.27765 
1 1 1   36   10   16 o  202.791   44.911   1.1990   0.5048   0.7687   1.0035   1.3448   0.5840  187.448   72.756  218.134   52.673 -30.68617 89.82127 
1 1 1   36   10   18 o  199.464   40.493   1.0802   0.4436   1.5215   0.6811   0.7552   0.5846  230.307   57.656  168.621   56.873 61.68536 80.98650 
1 1 1   36   10   20 o  445.598   37.785   5.4618   0.8639   5.9187   1.2376   5.0276   1.2065  464.646   51.809  426.551   55.016 38.09518 75.57040 
1 1 1   36   10   22 o  268.941   44.060   2.1109   0.5945   2.2095   0.8933   2.0324   0.7964  273.594   64.552  264.289   59.985 9.305634 88.11982 
1 1 1   36   10   24 o  198.315   52.219   1.0397   0.6793   1.0691   0.8120   0.9710   1.2400  194.824   67.010  201.806   80.106 -6.982239 104.4380 
1 1 1   36   10   26 o  290.230   50.687   3.2252   0.8109   3.8897   0.9041   0.4917   1.8337  376.146   46.750  204.314   89.952 171.8324 101.3748 
1 1 1   36   10   28 o  293.569   62.190   3.0969   1.1299   4.1315   1.4477   1.4838   1.8076  357.533   80.673  229.605   94.670 127.9283 124.3804 
1 1 1   36   10   30 o  217.334   58.360   1.4237   0.6659   1.4237   0.6659   0.0000   0.0000  217.334   58.360  ?   ?       ?      ? 
1 1 1   36   10   32 o  207.874   49.920   1.3477   0.5567   1.4037   0.6026   1.0225   1.4534  216.175   54.294  199.574   83.787 16.60114 99.84048 
1 1 1   36   11    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   36   11    3 o  161.336   39.493   0.6472   0.3985   0.7611   0.5939   0.5540   0.5374  170.624   57.325  152.047   54.337 18.57690 78.98557 
1 1 1   36   11    5 o  256.425   42.446   1.8004   0.6041   2.9516   0.8840   0.7920   0.8274  330.613   52.007  182.238   67.097 148.3745 84.89233 
1 1 1   36   11    7 o  227.434   41.344   1.4478   0.5125   2.1289   0.7381   0.8136   0.7123  276.150   53.921  178.718   62.688 97.43227 82.68719 
1 1 1   36   11    9 o  214.703   51.542   1.1978   0.7317   1.8675   1.0000   0.4259   1.0736  252.939   72.902  176.467   72.880 76.47115 103.0834 
1 1 1   36   11   11 o  296.891   77.102   2.6240   1.1874   2.6240   1.1874   0.0000   0.0000  296.891   77.102  ?   ?       ?      ? 
1 1 1   36   11   13 o  324.329   49.906   2.7233   0.8278   4.7851   1.3935   1.5991   1.0290  413.438   65.560  235.220   75.262 178.2178 99.81279 
1 1 1   36   11   15 o  236.625   46.233   1.7311   0.5797   1.0813   1.0787   1.9950   0.6875  206.290   76.488  266.960   51.959 -60.67047 92.46642 
1 1 1   36   11   17 o  251.752   42.234   1.8264   0.5365   1.7928   0.8023   1.8535   0.7214  248.511   62.778  254.993   56.515 -6.481720 84.46895 
1 1 1   36   11   19 o  150.916   36.315   0.5679   0.3296   0.7190   0.5368   0.4764   0.4175  163.839   54.492  137.994   48.019 25.84470 72.63046 
1 1 1   36   11   21 o  198.811   39.952   1.1499   0.4428   0.7711   0.6614   1.4576   0.5960  171.557   60.393  226.065   52.319 -54.50848 79.90379 
1 1 1   36   11   23 o  472.229   57.047   6.5279   1.1481   6.2367   1.3141   7.4674   2.3603  473.310   54.001  471.149  100.505 2.161285 114.0931 
1 1 1   36   11   25 o  158.872   46.955   0.3428   0.5950   0.2761   0.7101   0.5001   1.0903  142.803   59.148  174.941   72.943 -32.13812 93.91065 
1 1 1   36   11   27 o  187.225   54.921   0.6552   0.7711   0.5361   0.8899   1.0141   1.5449  165.421   67.100  209.029   86.964 -43.60802 109.8411 
1 1 1   36   11   29 o  193.569   54.751   1.1067   0.5693   1.1067   0.5693   0.0000   0.0000  193.569   54.751  ?   ?       ?      ? 
1 1 1   36   11   31 o  226.714   51.137   1.4671   0.5716   1.3197   0.6373   2.0743   1.2933  208.612   57.546  244.816   84.548 -36.20407 102.2739 
1 1 1   36   12    0 o  132.811   66.573   0.6945   0.5570   0.6945   0.5570   0.0000   0.0000  132.811   66.573  132.811   66.573 0.000000 0.000000 
1 1 1   36   12    2 o  239.318   62.277   1.6359   0.7736   0.0000   0.0000   1.6359   0.7736  ?   ?   239.318   62.277      ?      ? 
1 1 1   36   12    4 o  162.567   38.681   0.7139   0.3907   0.1481   0.7678   0.9116   0.4539  143.959   60.692  181.175   47.971 -37.21608 77.36118 
1 1 1   36   12    6 o  264.359   48.481   2.0262   0.6194   1.9467   1.1835   2.0561   0.7269  257.536   80.509  271.182   54.035 -13.64566 96.96160 
1 1 1   36   12    8 o  253.234   46.825   1.7789   0.5632   1.9895   1.1032   1.7047   0.6550  259.924   77.049  246.544   53.232 13.38045 93.64932 
1 1 1   36   12   10 o  127.434   33.959   0.3583   0.2726   0.0000   0.6429   0.4368   0.3010  126.094   54.409  128.774   40.653 -2.679245 67.91899 
1 1 1   36   12   12 o  120.845   52.103   0.0000   0.5886   0.0000   0.5886   0.0000   0.0000  120.845   52.103  ?   ?       ?      ? 
1 1 1   36   12   14 o  346.350   48.925   3.2801   0.8498   5.0909   1.3501   2.0921   1.0936  427.924   61.368  264.777   76.215 163.1478 97.85050 
1 1 1   36   12   16 o  437.811   44.506   5.0067   0.9522   6.6252   1.6981   4.2643   1.1501  482.574   68.441  393.048   56.912 89.52655 89.01260 
1 1 1   36   12   18 o  409.858   57.220   4.6605   1.2057   4.6605   1.2057   0.0000   0.0000  409.858   57.220  ?   ?       ?      ? 
1 1 1   36   12   20 o  248.958   51.746   2.0676   0.8247   2.8299   0.9648   0.0000   1.5890  312.200   62.292  185.717   82.646 126.4825 103.4924 
1 1 1   36   12   22 o  238.284   54.409   1.6862   0.6662   1.7225   0.7344   1.5173   1.5834  242.754   59.339  233.814   91.214 8.940628 108.8172 
1 1 1   36   12   24 o  370.130   54.337   3.5084   0.8836   2.7587   1.0030   6.1073   1.8674  303.530   66.142  436.730   86.228 -133.2008 108.6744 
1 1 1   36   12   26 o  212.194   88.696   1.0300   1.6177   0.0000   0.0000   1.0300   1.6177  ?   ?   212.194   88.696      ?      ? 
1 1 1   36   12   28 o  160.602   55.433   0.7072   0.5559   0.7072   0.5559   0.0000   0.0000  160.602   55.433  ?   ?       ?      ? 
1 1 1   36   12   30 o  206.738   41.901   0.6535   0.3465   0.4047   0.3677   2.6306   1.0367  126.450   44.973  287.026   70.713 -160.5767 83.80259 
1 1 1   36   12   32 o  177.872   46.531   0.7543   0.3697   0.7283   0.3846   1.0695   1.3396  158.534   45.062  197.210   81.425 -38.67578 93.06240 
1 1 1   36   13    1 o  196.329   38.681   1.0716   0.4062   1.2380   0.5932   0.9247   0.5574  209.730   54.514  182.928   54.893 26.80269 77.36273 
1 1 1   36   13    3 o  209.941   39.638   1.1209   0.4428   1.8632   0.7264   0.6818   0.5587  257.003   56.515  162.879   55.594 94.12457 79.27581 
1 1 1   36   13    5 f  343.306   50.466   3.3012   0.7923   3.5767   1.5171   3.1979   0.9291  342.993   86.149  343.619   52.590 -0.6251526 100.9321 
1 1 1   36   13    7 o  255.727   43.588   1.5782   0.5259   2.7490   1.0204   1.1547   0.6136  309.008   66.218  202.447   56.700 106.5602 87.17638 
1 1 1   36   13    9 o  244.261   53.607   1.6784   0.6547   0.0000   0.0000   1.6784   0.6547  ?   ?   244.261   53.607      ?      ? 
1 1 1   36   13   11 o  127.318   36.284   0.2337   0.2960   0.3119   0.6983   0.2166   0.3268  146.441   59.425  108.195   41.650 38.24642 72.56759 
1 1 1   36   13   13 o  264.681   79.071   2.1013   1.1586   2.1013   1.1586   0.0000   0.0000  264.681   79.071  ?   ?       ?      ? 
1 1 1   36   13   15 o  188.486   70.418   0.8655   0.9177   0.8655   0.9177   0.0000   0.0000  188.486   70.418  ?   ?       ?      ? 
1 1 1   36   13   17 o  295.088   53.395   2.1933   0.7435   1.6233   0.8594   3.8887   1.4823  234.995   67.544  355.181   82.715 -120.1859 106.7895 
1 1 1   36   13   19 o  231.805   53.002   1.4217   0.6314   1.2504   0.7172   2.0111   1.3308  207.961   62.234  255.650   85.812 -47.68893 106.0038 
1 1 1   36   13   21 o  278.268   50.618   2.7473   0.8182   3.4767   0.9424   0.5134   1.6492  354.907   51.646  201.628   87.071 153.2789 101.2362 
1 1 1   36   13   23 o  172.008   42.315   0.8407   0.4371   1.0041   0.4777   0.0000   1.0836  187.569   49.002  156.448   69.000 31.12100 84.62977 
1 1 1   36   13   25 o  223.394   55.088   1.4595   0.6287   1.4595   0.6287   0.0000   0.0000  223.394   55.088  ?   ?       ?      ? 
1 1 1   36   13   27 o  171.559   51.403   0.3865   0.5440   0.2936   0.5802   1.0609   1.5634  133.438   54.162  209.680   87.381 -76.24281 102.8050 
1 1 1   36   13   29 o  192.612   43.137   1.1587   0.4233   1.2531   0.4542   0.5333   1.1689  209.748   43.541  175.475   74.481 34.27341 86.27438 
1 1 1   36   13   31 o  190.697   45.318   0.8430   0.3754   0.7409   0.3991   1.6271   1.1056  159.945   46.046  221.449   78.067 -61.50348 90.63507 
1 1 1   36   14    0 o  114.654   56.672   0.5122   0.4012   0.5122   0.4012   0.0000   0.0000  114.654   56.672  114.654   56.672 0.000000 0.000000 
1 1 1   36   14    2 o  341.761   47.915   2.4016   0.7590   1.3323   0.8625   6.0722   1.5980  217.316   68.837  466.206   66.671 -248.8893 95.83080 
1 1 1   36   14    4 f  209.027   48.104   1.2380   0.5779   1.3750   0.6843   0.8972   1.0793  219.929   59.204  198.126   75.834 21.80328 96.20772 
1 1 1   36   14    6 o  231.115   56.951   1.4585   0.8384   1.1235   1.1582   1.8271   1.2151  212.014   79.130  250.217   81.927 -38.20267 113.9018 
1 1 1   36   14    8 o  223.992   78.998   1.3746   1.1323   0.0000   0.0000   1.3746   1.1323  ?   ?   223.992   78.998      ?      ? 
1 1 1   36   14   10 o  250.206   83.173   1.8377   1.2506   0.0000   0.0000   1.8377   1.2506  ?   ?   250.206   83.173      ?      ? 
1 1 1   36   14   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   36   14   14 o  148.178   50.714   0.5623   0.4649   0.5623   0.4649   0.0000   0.0000  148.178   50.714  ?   ?       ?      ? 
1 1 1   36   14   16 o  243.275   74.903   1.7642   1.0289   1.7642   1.0289   0.0000   0.0000  243.275   74.903  ?   ?       ?      ? 
1 1 1   36   14   18 o  245.612   45.729   1.6780   0.5562   1.6780   0.5562   0.0000   0.0000  245.612   45.729  ?   ?       ?      ? 
1 1 1   36   14   20 o  258.171   47.142   1.6652   0.5095   1.4743   0.5590   2.6020   1.2383  228.241   49.091  288.101   80.495 -59.85954 94.28325 
1 1 1   36   14   22 o  202.525   46.711   1.2438   0.5213   1.3896   0.5720   0.5291   1.2666  220.079   51.468  184.971   77.966 35.10831 93.42158 
1 1 1   36   14   24 o  228.501   45.731   1.4743   0.5185   1.4743   0.5185   0.0000   0.0000  228.501   45.731  ?   ?       ?      ? 
1 1 1   36   14   26 o  193.746   45.184   1.1008   0.4198   1.1624   0.4422   0.5391   1.3347  202.541   43.748  184.950   79.073 17.59120 90.36807 
1 1 1   36   14   28 o  167.996   44.954   0.5925   0.4108   0.5029   0.4461   1.0929   1.0547  139.449   49.541  196.543   75.028 -57.09445 89.90800 
1 1 1   36   14   30 o  122.594   36.903   0.1188   0.2337   0.0824   0.2433   0.5498   0.8375   84.917   34.841  160.270   65.065 -75.35275 73.80641 
1 1 1   36   15    1 o  221.244   50.278   1.3253   0.5551   1.3283   0.6126   1.3117   1.3130  216.809   54.899  225.680   84.247 -8.871078 100.5560 
1 1 1   36   15    3 o  300.861   46.798   2.0473   0.5410   1.7817   0.5848   3.6260   1.4257  254.301   46.439  347.421   81.263 -93.11980 93.59679 
1 1 1   36   15    5 o  179.087   42.007   0.8794   0.4030   0.9652   0.4428   0.4641   0.9737  186.192   46.415  171.982   70.028 14.20955 84.01398 
1 1 1   36   15    7 o  181.877   49.247   0.4801   0.6432   0.0000   0.7926   1.4065   1.1009  138.845   60.159  224.910   77.986 -86.06558 98.49342 
1 1 1   36   15    9 o  170.567   45.772   0.5469   0.4218   0.4794   0.4567   0.9394   1.1012  140.962   50.121  200.171   76.604 -59.20937 91.54369 
1 1 1   36   15   11 o  279.962   52.854   2.1965   0.7329   2.1965   0.7329   0.0000   0.0000  279.962   52.854  ?   ?       ?      ? 
1 1 1   36   15   13 o  201.989   59.957   1.1609   0.6677   1.1609   0.6677   0.0000   0.0000  201.989   59.957  ?   ?       ?      ? 
1 1 1   36   15   15 o  326.058   59.258   3.5070   0.9874   3.8904   1.1527   2.4499   1.9140  373.118   60.089  278.998  102.153 94.12030 118.5158 
1 1 1   36   15   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   36   15   19 o  188.741   55.516   1.0172   0.5746   1.0172   0.5746   0.0000   0.0000  188.741   55.516  ?   ?       ?      ? 
1 1 1   36   15   21 o  267.410   52.092   2.0379   0.6904   2.0379   0.6904   0.0000   0.0000  267.410   52.092  ?   ?       ?      ? 
1 1 1   36   15   23 o  278.667   45.198   2.1257   0.6475   2.1257   0.6475   0.0000   0.0000  278.667   45.198  ?   ?       ?      ? 
1 1 1   36   15   25 o  221.219   51.339   1.1252   0.4624   1.0063   0.4874   2.1927   1.4605  186.622   49.856  255.816   89.762 -69.19458 102.6783 
1 1 1   36   15   27 o  200.238   45.884   1.3101   0.5864   1.6636   0.6608   0.0000   1.2720  236.955   55.255  163.522   73.270 73.43295 91.76873 
1 1 1   36   15   29 o  223.826   44.043   1.7442   0.5021   1.9342   0.5410   0.5631   1.3486  265.609   39.615  182.043   78.676 83.56602 88.08660 
1 1 1   36   16    0 o  352.255  115.342   4.4106   1.8514   0.0000   0.0000   4.4106   1.8514  352.255  115.342  352.255  115.342 -0.000000 0.000000 
1 1 1   36   16    2 o  215.901   56.438   1.0853   0.8638   0.4254   1.1913   1.8169   1.2543  182.343   76.157  249.458   83.312 -67.11543 112.8756 
1 1 1   36   16    4 f  257.189   49.053   1.4535   0.4974   1.2447   0.5341   2.8164   1.3647  210.667   50.053  303.711   84.376 -93.04375 98.10500 
1 1 1   36   16    6 o  271.474   48.497   1.5242   0.5069   1.2510   0.5435   3.3512   1.4056  210.968   50.731  331.979   82.670 -121.0111 96.99473 
1 1 1   36   16    8 o  231.275   57.067   1.5093   0.8580   1.9015   1.1239   0.9613   1.3285  253.031   78.349  209.518   82.994 43.51291 114.1340 
1 1 1   36   16   10 o  162.589   51.498   0.7172   0.4827   0.7172   0.4827   0.0000   0.0000  162.589   51.498  ?   ?       ?      ? 
1 1 1   36   16   12 o  158.946   49.180   0.6900   0.4429   0.6900   0.4429   0.0000   0.0000  158.946   49.180  ?   ?       ?      ? 
1 1 1   36   16   14 o  118.590   42.207   0.3329   0.3239   0.3329   0.3239   0.0000   0.0000  118.590   42.207  ?   ?       ?      ? 
1 1 1   36   16   16 o  201.229   51.868   0.6853   0.5378   0.4448   0.5837   2.0368   1.3835  145.383   55.738  257.074   87.490 -111.6910 103.7360 
1 1 1   36   16   18 o  200.863   52.584   0.9619   0.7182   0.5655   0.9200   1.5805   1.1491  171.001   68.622  230.724   79.695 -59.72220 105.1678 
1 1 1   36   16   20 o  213.480   53.695   1.3159   0.5888   1.3159   0.5888   0.0000   0.0000  213.480   53.695  ?   ?       ?      ? 
1 1 1   36   16   22 o  152.271   46.668   0.6445   0.3999   0.6445   0.3999   0.0000   0.0000  152.271   46.668  ?   ?       ?      ? 
1 1 1   36   16   24 o  182.717   43.740   0.9476   0.4054   0.9476   0.4054   0.0000   0.0000  182.717   43.740  ?   ?       ?      ? 
1 1 1   36   16   26 o  314.729   41.554   1.6182   0.4903   1.1087   0.5204   5.6384   1.4618  194.719   51.276  434.740   65.403 -240.0205 83.10706 
1 1 1   36   16   28 o  270.468   57.906   2.4042   0.8316   2.1966   1.0048   2.8552   1.4813  260.090   72.454  280.846   90.348 -20.75546 115.8119 
1 1 1   36   17    1 o  230.284   55.341   1.3988   0.8521   0.4457   1.2262   2.2891   1.1850  184.630   77.201  275.938   79.313 -91.30763 110.6827 
1 1 1   36   17    3 o  284.345   64.429   2.4737   1.0682   2.1493   1.4627   2.8445   1.5637  267.137   89.962  301.553   92.258 -34.41638 128.8586 
1 1 1   36   17    5 f  225.594   48.361   1.1764   0.4449   1.0719   0.4743   1.9407   1.2827  195.748   47.594  255.439   84.202 -59.69046 96.72240 
1 1 1   36   17    7 o  164.689   44.444   0.7523   0.3850   0.7523   0.3850   0.0000   0.0000  164.689   44.444  ?   ?       ?      ? 
1 1 1   36   17    9 o  504.269   81.311   7.5166   2.1081   7.5166   2.1081   0.0000   0.0000  504.269   81.311  ?   ?       ?      ? 
1 1 1   36   17   11 o  270.763   52.886   2.0652   0.7098   2.0652   0.7098   0.0000   0.0000  270.763   52.886  ?   ?       ?      ? 
1 1 1   36   17   13 o  129.184   48.235   0.3640   0.4305   0.3640   0.4305   0.0000   0.0000  129.184   48.235  ?   ?       ?      ? 
1 1 1   36   17   15 o  316.166   57.909   3.3870   0.9587   3.8581   1.1145   2.0463   1.8801  371.414   58.367  260.917  100.036 110.4968 115.8186 
1 1 1   36   17   17 o  154.739   54.303   0.6154   0.5345   0.6154   0.5345   0.0000   0.0000  154.739   54.303  ?   ?       ?      ? 
1 1 1   36   17   19 o  297.079   55.332   2.5306   0.8140   2.5306   0.8140   0.0000   0.0000  297.079   55.332  ?   ?       ?      ? 
1 1 1   36   17   21 o  351.449   50.746   2.4779   0.7542   1.6468   0.8247   6.7219   1.8636  233.584   65.842  469.315   77.236 -235.7315 101.4916 
1 1 1   36   17   23 o  213.232   53.377   1.3274   0.5838   1.3274   0.5838   0.0000   0.0000  213.232   53.377  ?   ?       ?      ? 
1 1 1   36   17   25 o  200.024   43.309   1.1360   0.4325   1.1360   0.4325   0.0000   0.0000  200.024   43.309  ?   ?       ?      ? 
1 1 1   36   17   27 o  231.251   48.655   1.5518   0.5602   1.5518   0.5602   0.0000   0.0000  231.251   48.655  ?   ?       ?      ? 
1 1 1   36   17   29 o  379.678   57.337   3.8400   0.8635   3.2206   0.9430   7.0545   2.1484  326.652   58.292  432.704   98.753 -106.0520 114.6735 
1 1 1   36   18    0 o  427.141  110.455   6.0019   2.0963   6.0019   2.0963   0.0000   0.0000  427.141  110.455  427.141  110.455 0.000000 0.000000 
1 1 1   36   18    2 o  493.937   92.783   7.5788   2.2697   7.5788   2.2697   0.0000   0.0000  493.937   92.783  ?   ?       ?      ? 
1 1 1   36   18    4 o  386.323   96.515   4.7768   1.9114   4.7768   1.9114   0.0000   0.0000  386.323   96.515  ?   ?       ?      ? 
1 1 1   36   18    6 o  287.251   46.744   2.2258   0.6903   2.2258   0.6903   0.0000   0.0000  287.251   46.744  ?   ?       ?      ? 
1 1 1   36   18    8 o  151.157   50.745   0.5969   0.4654   0.5969   0.4654   0.0000   0.0000  151.157   50.745  ?   ?       ?      ? 
1 1 1   36   18   10 f  330.736   94.068   3.5329   1.6756   0.0000   0.0000   3.5329   1.6756  ?   ?   330.736   94.068      ?      ? 
1 1 1   36   18   12 o  338.493   64.959   3.3324   1.0893   3.3324   1.0893   0.0000   0.0000  338.493   64.959  ?   ?       ?      ? 
1 1 1   36   18   14 o  177.956   56.921   0.8813   0.5886   0.8813   0.5886   0.0000   0.0000  177.956   56.921  ?   ?       ?      ? 
1 1 1   36   18   16 o  139.705   47.760   0.5035   0.4123   0.5035   0.4123   0.0000   0.0000  139.705   47.760  ?   ?       ?      ? 
1 1 1   36   18   18 f  202.884   54.984   1.0853   0.7842   1.2885   0.9207   0.5485   1.4967  210.279   71.373  195.489   83.660 14.79074 109.9684 
1 1 1   36   18   20 o  201.012   45.909   1.2079   0.4561   1.2927   0.4853   0.5653   1.3359  213.860   45.531  188.164   79.733 25.69655 91.81715 
1 1 1   36   18   22 o  154.464   42.302   0.5065   0.3875   0.4926   0.4239   0.5769   0.9557  138.315   48.368  170.613   69.414 -32.29822 84.60334 
1 1 1   36   18   24 o  183.202   49.324   0.5535   0.4179   0.4254   0.4395   1.7567   1.3472  132.943   48.911  233.461   85.669 -100.5177 98.64845 
1 1 1   36   18   26 f  162.961   51.069   0.7633   0.4759   0.7633   0.4759   0.0000   0.0000  162.961   51.069  ?   ?       ?      ? 
1 1 1   36   18   28 o  297.390   56.289   2.6493   0.8291   2.6493   0.8291   0.0000   0.0000  297.390   56.289  ?   ?       ?      ? 
1 1 1   36   19    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   36   19    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   36   19    5 f  370.602  102.591   4.5587   2.0213   0.0000   0.0000   4.5587   2.0213  ?   ?   370.602  102.591      ?      ? 
1 1 1   36   19    7 o  250.042   51.230   1.4920   0.5462   1.2969   0.5936   2.5705   1.3957  213.347   54.052  286.737   87.043 -73.39044 102.4602 
1 1 1   36   19    9 o  216.894   50.027   0.8103   0.5464   0.4218   0.6034   2.5797   1.2878  145.439   56.428  288.348   82.623 -142.9086 100.0534 
1 1 1   36   19   11 o  265.509   47.799   1.6470   0.5544   1.2966   0.6175   3.1046   1.2595  212.466   55.809  318.551   77.616 -106.0844 95.59735 
1 1 1   36   19   13 o  164.640   48.944   0.7558   0.4447   0.7558   0.4447   0.0000   0.0000  164.640   48.944  ?   ?       ?      ? 
1 1 1   36   19   15 o  265.651   49.163   1.3779   0.5346   0.9832   0.5777   3.7339   1.4115  185.739   55.913  345.564   80.880 -159.8255 98.32534 
1 1 1   36   19   17 o  214.427   48.526   1.3504   0.5341   1.4039   0.5886   1.1006   1.2711  220.840   52.592  208.014   81.566 12.82610 97.05133 
1 1 1   36   19   19 f  283.411   55.550   2.2323   0.7507   1.8502   0.8641   3.4085   1.5161  247.031   66.546  319.793   88.965 -72.76190 111.0998 
1 1 1   36   19   21 o  224.103   49.215   1.5273   0.5196   1.5787   0.5556   1.1688   1.4665  235.477   47.533  212.730   86.191 22.74747 98.42918 
1 1 1   36   19   23 f  276.276   50.501   1.7856   0.5332   1.5278   0.5706   3.5627   1.4981  229.904   49.723  322.649   87.915 -92.74545 101.0023 
1 1 1   36   19   25 o  201.621   49.521   1.1463   0.5095   1.1370   0.5487   1.2048   1.3720  195.953   53.129  207.289   83.585 -11.33592 99.04100 
1 1 1   36   19   27 o  175.462   48.708   0.6472   0.4298   0.5877   0.4518   1.2118   1.3919  146.047   49.997  204.877   83.608 -58.82985 97.41686 
1 1 1   36   20    0 o  663.400   94.014   13.027   3.0207   13.027   3.0207   0.0000   0.0000  663.400   94.014  663.400   94.014 0.000000 0.000000 
1 1 1   36   20    2 o  240.350   60.097   1.6748   0.9299   1.8654   1.3199   1.4869   1.3103  249.802   85.452  230.899   84.526 18.90288 120.1944 
1 1 1   36   20    4 o  227.320   58.140   1.4423   0.8705   1.3642   1.1818   1.5350   1.2871  222.053   80.428  232.587   83.980 -10.53427 116.2810 
1 1 1   36   20    6 o  159.290   47.796   0.1982   0.6804   0.4363   1.0097   0.0000   0.9210  171.026   70.658  147.553   64.383 23.47285 95.59128 
1 1 1   36   20    8 f  222.219   49.451   1.0706   0.4397   0.9458   0.4654   2.1081   1.3421  183.170   48.612  261.267   86.131 -78.09778 98.90218 
1 1 1   36   20   10 o  289.501   55.729   2.2416   0.6730   2.0740   0.7311   3.1709   1.7218  269.800   54.583  309.203   97.177 -39.40314 111.4573 
1 1 1   36   20   12 o  453.674   46.647   4.5480   0.9196   3.5114   1.0205   9.0258   2.1209  354.913   55.926  552.435   74.673 -197.5223 93.29405 
1 1 1   36   20   14 o  141.180   47.432   0.5232   0.4066   0.5232   0.4066   0.0000   0.0000  141.180   47.432  ?   ?       ?      ? 
1 1 1   36   20   16 o  177.957   47.667   0.4335   0.4090   0.2831   0.4334   1.6574   1.2363  122.327   47.720  233.586   82.531 -111.2586 95.33375 
1 1 1   36   20   18 o  205.026   47.643   1.2921   0.5512   1.4517   0.6091   0.5702   1.2955  223.600   53.669  186.451   78.735 37.14902 95.28626 
1 1 1   36   20   20 o  254.058   48.539   2.1789   0.5884   2.3554   0.6381   1.1753   1.5215  293.921   42.225  214.195   87.414 79.72630 97.07844 
1 1 1   36   20   22 o  167.699   44.979   0.5311   0.4045   0.4152   0.4380   1.2028   1.0545  132.036   48.783  203.361   75.581 -71.32434 89.95724 
1 1 1   36   20   24 o  194.701   44.677   0.5057   0.3305   0.3307   0.3451   2.4435   1.1486  118.238   43.366  271.164   78.124 -152.9255 89.35339 
1 1 1   36   20   26 o  182.448   40.908   1.0933   0.4108   1.2463   0.4386   0.0000   1.1723  209.019   42.263  155.876   70.056 53.14328 81.81652 
1 1 1   36   21    1 o  217.402   54.190   1.2182   0.7992   0.4873   1.1125   1.9974   1.1487  178.543   74.000  256.260   79.185 -77.71689 108.3796 
1 1 1   36   21    3 o  249.247   51.546   1.6639   0.8551   3.2965   1.2036   0.0000   1.2150  332.030   72.536  166.465   73.256 165.5651 103.0918 
1 1 1   36   21    5 o  290.387   62.516   2.6941   1.0383   3.2158   1.4302   2.1126   1.5099  319.375   85.433  261.398   91.292 57.97708 125.0319 
1 1 1   36   21    7 o  201.599   54.756   0.8465   0.7763   0.4390   0.9610   1.6123   1.3173  167.851   69.095  235.346   84.962 -67.49561 109.5115 
1 1 1   36   21    9 o  216.359   50.571   0.9828   0.4852   0.8037   0.5208   2.1598   1.3350  170.102   53.443  262.617   85.870 -92.51556 101.1425 
1 1 1   36   21   11 o  197.818   54.940   0.9050   0.7971   0.7970   1.0104   1.0830   1.2968  186.295   72.812  209.341   82.292 -23.04648 109.8799 
1 1 1   36   21   13 o  281.289   54.620   2.2666   0.7614   2.2666   0.7614   0.0000   0.0000  281.289   54.620  ?   ?       ?      ? 
1 1 1   36   21   15 o  140.784   41.136   0.3444   0.3080   0.3713   0.3198   0.0000   1.1447  121.587   42.041  159.980   70.719 -38.39272 82.27206 
1 1 1   36   21   17 o  215.699   51.123   0.9953   0.5109   0.7753   0.5526   2.2887   1.3401  167.074   55.279  264.323   86.014 -97.24957 102.2458 
1 1 1   36   21   19 o  200.435   54.022   1.0887   0.7567   1.0323   0.9613   1.1805   1.2269  193.613   72.123  207.258   80.447 -13.64510 108.0437 
1 1 1   36   21   21 o  170.351   42.168   0.8365   0.3992   0.9449   0.4242   0.0000   1.1790  181.520   45.535  159.182   70.987 22.33855 84.33673 
1 1 1   36   21   23 o  250.053   55.532   2.1825   0.8494   2.6766   1.0482   1.2378   1.4495  289.987   70.902  210.119   85.486 79.86777 111.0631 
1 1 1   36   21   25 o  175.232   47.290   0.6394   0.3697   0.5880   0.3848   1.2565   1.3339  144.491   45.999  205.973   82.640 -61.48248 94.57962 
1 1 1   36   22    0 o  507.793  101.084   8.0556   2.3433   8.0556   2.3433   0.0000   0.0000  507.793  101.084  507.793  101.084 0.000000 0.000000 
1 1 1   36   22    2 o  235.637   56.803   1.4900   0.8973   0.4871   1.2425   2.5832   1.2972  184.327   77.433  286.947   83.130 -102.6192 113.6068 
1 1 1   36   22    4 o  158.035   46.906   0.2887   0.6440   0.4753   0.8262   0.0000   1.0279  161.782   64.994  154.288   67.651 7.493942 93.81251 
1 1 1   36   22    6 o  193.617   52.579   0.6860   0.7693   0.0000   1.0102   1.6336   1.1872  152.942   67.062  234.291   81.000 -81.34927 105.1585 
1 1 1   36   22    8 o  244.711   51.952   1.3324   0.5227   1.1216   0.5601   2.7549   1.4550  197.748   53.707  291.674   88.947 -93.92616 103.9035 
1 1 1   36   22   10 o  250.275   49.882   0.9784   0.5343   0.5348   0.5738   3.8712   1.4653  150.402   55.782  350.148   82.711 -199.7464 99.76340 
1 1 1   36   22   12 o  222.713   59.209   1.3630   0.8882   1.1994   1.1028   1.6652   1.4986  208.369   77.324  237.058   89.687 -28.68909 118.4177 
1 1 1   36   22   14 o  147.957   47.517   0.5974   0.4099   0.5974   0.4099   0.0000   0.0000  147.957   47.517  ?   ?       ?      ? 
1 1 1   36   22   16 o  149.525   43.193   0.4310   0.3684   0.4729   0.3859   0.0000   1.2366  134.881   46.206  164.168   72.990 -29.28741 86.38618 
1 1 1   36   22   18 o  182.923   46.048   0.8078   0.4357   0.7359   0.4755   1.1847   1.0886  161.625   51.102  204.222   76.617 -42.59735 92.09518 
1 1 1   36   22   20 o  224.997   57.984   1.5371   0.8305   1.3965   1.0100   1.8309   1.4596  213.182   74.654  236.812   88.742 -23.63063 115.9671 
1 1 1   36   22   22 o  256.422   48.757   2.3002   0.5960   2.4753   0.6439   1.2526   1.5749  299.961   41.754  212.883   88.123 87.07701 97.51455 
1 1 1   36   22   24 o  160.402   42.839   0.6136   0.3563   0.6108   0.3773   0.6367   1.0833  146.673   45.389  174.131   72.666 -27.45885 85.67732 
1 1 1   36   23    1 o  399.398   68.948   5.2893   1.4510   3.5594   1.9822   7.2866   2.1299  319.959  104.635  478.836   89.816 -158.8770 137.8963 
1 1 1   36   23    3 o  299.812   61.657   2.8061   1.0874   1.4750   1.4942   4.3049   1.5856  230.925   89.017  368.698   85.335 -137.7729 123.3131 
1 1 1   36   23    5 o  175.676   51.247   0.5165   0.7498   0.4800   1.0831   0.5502   1.0389  175.291   72.862  176.061   72.086 -0.7705688 102.4947 
1 1 1   36   23    7 o  229.650   60.660   1.4921   0.9396   1.3782   1.1861   1.6839   1.5396  219.832   80.426  239.467   90.830 -19.63477 121.3201 
1 1 1   36   23    9 f  266.850   55.491   1.9349   0.6755   1.7362   0.7473   2.8228   1.5796  242.940   60.148  290.761   93.270 -47.82141 110.9821 
1 1 1   36   23   11 o  146.556   43.083   0.3708   0.3246   0.3959   0.3354   0.0000   1.2887  125.023   43.064  168.090   74.634 -43.06713 86.16661 
1 1 1   36   23   13 o  349.332   59.788   3.8649   0.8808   3.8397   0.9681   3.9858   2.1215  371.686   50.663  326.979  108.313 44.70721 119.5763 
1 1 1   36   23   15 o  134.255   48.171   0.4460   0.4227   0.4460   0.4227   0.0000   0.0000  134.255   48.171  ?   ?       ?      ? 
1 1 1   36   23   17 o  138.700   40.866   0.2347   0.3038   0.1982   0.3189   0.5944   1.0010  104.505   40.887  172.896   70.769 -68.39066 81.73156 
1 1 1   36   23   19 o  180.821   47.232   0.8668   0.4707   0.9041   0.5041   0.6127   1.3160  176.370   52.028  185.271   78.846 -8.901855 94.46495 
1 1 1   36   23   21 o  215.226   50.413   1.1817   0.4617   1.1001   0.4875   1.8912   1.4380  194.081   48.886  236.371   88.181 -42.29039 100.8252 
1 1 1   36   23   23 o  223.165   49.380   1.3870   0.4867   1.3044   0.5222   1.9334   1.3430  210.672   49.116  235.658   85.679 -24.98642 98.75900 
1 1 1   36   24    0 o  159.249   87.615   1.0495   1.0375   0.0000   0.0000   1.0495   1.0375  159.249   87.615  159.249   87.615 -0.000000 0.000000 
1 1 1   36   24    2 o  289.745   61.760   2.5942   1.1159   1.0160   1.5475   4.3040   1.6107  213.574   87.772  365.915   86.911 -152.3406 123.5209 
1 1 1   36   24    4 o  267.339   56.747   2.0462   1.0356   3.9687   1.4422   0.0000   1.4879  355.697   80.716  178.981   79.787 176.7161 113.4945 
1 1 1   36   24    6 o  201.537   53.193   1.0839   0.7623   1.4316   0.9858   0.5670   1.2022  219.506   73.856  183.568   76.571 35.93770 106.3857 
1 1 1   36   24    8 o  231.643   56.185   1.6316   0.8801   2.3083   1.1274   0.5755   1.4083  271.101   77.181  192.184   81.671 78.91623 112.3699 
1 1 1   36   24   10 o  325.691   59.128   2.5961   0.7987   2.0875   0.8731   5.2046   1.9775  263.488   64.885  387.894   98.867 -124.4055 118.2570 
1 1 1   36   24   12 o  390.892   72.627   5.2482   1.4344   4.6144   1.7905   6.3837   2.3964  367.359   94.319  414.426  110.465 -47.06598 145.2530 
1 1 1   36   24   14 o  314.081   51.717   2.7668   0.8351   2.7668   0.8351   0.0000   0.0000  314.081   51.717  ?   ?       ?      ? 
1 1 1   36   24   16 o  169.730   43.313   0.8085   0.4655   0.9794   0.5124   0.0000   1.1146  183.516   51.956  155.944   69.316 27.57169 86.62644 
1 1 1   36   24   18 o  221.024   49.751   0.8127   0.4891   0.4723   0.5246   3.0735   1.3520  141.143   53.143  300.905   84.123 -159.7620 99.50278 
1 1 1   36   24   20 o  161.582   47.215   0.5023   0.6360   0.7313   0.7674   0.0000   1.1365  168.018   64.031  155.145   69.405 12.87335 94.43003 
1 1 1   36   24   22 o  200.685   44.635   1.3845   0.5084   1.5876   0.5444   0.0000   1.4213  234.064   46.873  167.307   75.973 66.75684 89.26924 
1 1 1   36   25    1 o  203.035   55.321   1.0717   0.8158   1.0599   1.1441   1.0839   1.1637  202.191   77.905  203.878   78.566 -1.686432 110.6428 
1 1 1   36   25    3 o  130.955   40.433   0.0000   0.5052   0.0000   0.8007   0.0000   0.6511  137.039   59.907  124.872   54.317 12.16667 80.86523 
1 1 1   36   25    5 o  187.567   51.639   0.8223   0.7271   0.5007   1.0272   1.1451   1.0292  172.007   71.183  203.128   74.828 -31.12070 103.2777 
1 1 1   36   25    7 o  308.617   57.380   2.5560   1.0857   0.4798   1.3872   5.8388   1.7442  187.375   80.374  429.860   81.915 -242.4856 114.7606 
1 1 1   36   25    9 o  260.481   59.324   2.2687   1.0350   3.2497   1.3028   0.5898   1.7043  318.832   79.694  202.131   87.899 116.7013 118.6484 
1 1 1   36   25   11 o  196.937   49.473   1.0112   0.5074   0.9807   0.5503   1.1845   1.3107  183.990   54.386  209.885   82.659 -25.89473 98.94572 
1 1 1   36   25   13 f  217.833   50.347   0.7415   0.4873   0.4256   0.5207   2.9742   1.3843  138.197   52.725  297.467   85.786 -159.2699 100.6933 
1 1 1   36   25   15 o  218.408   56.827   1.4205   0.6442   1.4205   0.6442   0.0000   0.0000  218.408   56.827  ?   ?       ?      ? 
1 1 1   36   25   17 o  207.046   54.610   1.1629   0.7599   0.7802   0.9480   1.8511   1.2712  177.820   70.211  236.271   83.663 -58.45113 109.2207 
1 1 1   36   25   19 o  187.408   48.197   0.6608   0.4529   0.4549   0.4889   1.9063   1.2027  137.242   51.374  237.574   81.562 -100.3320 96.39310 
1 1 1   36   25   21 o  126.116   48.801   0.3458   0.4504   0.3458   0.4504   0.0000   0.0000  126.116   48.801  ?   ?       ?      ? 
1 1 1   36   26    0 o  161.032   88.858   1.0929   1.0708   1.0929   1.0708   0.0000   0.0000  161.032   88.858  161.032   88.858 0.000000 0.000000 
1 1 1   36   26    2 o  644.802   73.278   14.496   2.2748   17.467   3.1352   11.194   3.3058  749.070   81.410  540.533  121.865 208.5369 146.5563 
1 1 1   36   26    4 o  282.307   67.123   2.7380   1.1532   2.5855   1.6370   2.8881   1.6248  275.129   95.117  289.486   94.736 -14.35696 134.2468 
1 1 1   36   26    6 o  187.750   50.820   0.7696   0.7389   1.4931   1.0292   0.0000   1.0615  221.470   75.459  154.031   68.094 67.43910 101.6410 
1 1 1   36   26    8 o  383.867   68.619   5.0166   1.3406   4.3380   1.7406   6.0061   2.1018  354.662   93.957  413.072  100.031 -58.41006 137.2374 
1 1 1   36   26   10 o  336.634   57.230   2.7638   0.8563   1.9218   0.9600   6.0423   1.8943  247.753   71.437  425.515   89.431 -177.7624 114.4602 
1 1 1   36   26   12 o  215.713   58.810   1.3922   0.6701   1.3922   0.6701   0.0000   0.0000  215.713   58.810  ?   ?       ?      ? 
1 1 1   36   26   14 o  137.120   60.415   0.0000   0.8287   0.0000   0.8287   0.0000   0.0000  137.120   60.415  ?   ?       ?      ? 
1 1 1   36   26   16 o  233.782   56.975   1.6412   0.6786   1.6412   0.6786   0.0000   0.0000  233.782   56.975  ?   ?       ?      ? 
1 1 1   36   26   18 o  199.766   52.900   0.9483   0.5979   0.7321   0.6615   1.9127   1.3971  164.018   60.054  235.514   87.103 -71.49522 105.7996 
1 1 1   36   26   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   36   27    1 o  296.409   66.144   3.0550   1.1634   3.8203   1.6274   2.2552   1.6637  334.020   91.889  258.798   95.166 75.22125 132.2881 
1 1 1   36   27    3 f  259.414   60.555   2.1256   0.9958   3.2036   1.4471   1.1558   1.3725  308.864   87.271  209.963   83.974 98.90117 121.1104 
1 1 1   36   27    5 o  154.826   46.396   0.2286   0.6265   0.0000   0.7982   0.5954   1.0111  135.845   59.588  173.806   71.132 -37.96132 92.79292 
1 1 1   36   27    7 o  467.433   68.998   7.1202   1.6672   4.0022   2.1220   12.149   2.6948  321.449  108.357  613.417   85.449 -291.9681 137.9961 
1 1 1   36   27    9 o  243.021   84.495   1.9377   1.2927   1.9377   1.2927   0.0000   0.0000  243.021   84.495  ?   ?       ?      ? 
1 1 1   36   27   11 o  138.092   51.159   0.4605   0.4824   0.4605   0.4824   0.0000   0.0000  138.092   51.159  ?   ?       ?      ? 
1 1 1   36   27   13 o  135.189   59.574   0.0000   0.8061   0.0000   0.8061   0.0000   0.0000  135.189   59.574  ?   ?       ?      ? 
1 1 1   36   27   15 o  197.611   53.985   1.0386   0.6531   0.9931   0.7194   1.2521   1.5576  183.566   63.077  211.656   87.628 -28.08963 107.9692 
1 1 1   36   27   17 o  113.676   47.624   0.1394   0.4679   0.1394   0.4679   0.0000   0.0000  113.676   47.624  ?   ?       ?      ? 
1 1 1   36   28    0 o  163.932   94.667   1.1372   1.2900   1.1372   1.2900   0.0000   0.0000  163.932   94.667  163.932   94.667 0.000000 0.000000 
1 1 1   36   28    2 f  264.255   60.359   2.2378   1.0106   1.1019   1.3953   3.4913   1.4657  207.025   84.005  321.485   86.695 -114.4604 120.7186 
1 1 1   36   28    4 o  199.009   77.151   1.0768   1.1274   1.0768   1.1274   0.0000   0.0000  199.009   77.151  ?   ?       ?      ? 
1 1 1   36   28    6 o  273.022   90.186   2.5922   1.4712   2.5922   1.4712   0.0000   0.0000  273.022   90.186  ?   ?       ?      ? 
1 1 1   36   28    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   36   28   10 o  222.268   60.093   1.4511   0.8819   1.2845   1.0350   1.8926   1.6849  206.120   75.172  238.416   93.775 -32.29604 120.1855 
1 1 1   36   28   12 o  161.055   46.629   0.5012   0.5588   0.4532   0.6520   0.6339   1.0843  146.496   58.107  175.614   72.943 -29.11732 93.25829 
1 1 1   36   28   14 o  192.008   52.611   0.9668   0.6495   0.8795   0.7361   1.2742   1.3809  175.735   63.500  208.280   83.900 -32.54521 105.2213 
1 1 1   36   28   16 f  210.103   57.677   1.3517   0.6420   1.3517   0.6420   0.0000   0.0000  210.103   57.677  ?   ?       ?      ? 
1 1 1   36   29    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   36   29    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   36   29    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   36   29    7 f  148.880   66.189   0.0000   1.0167   0.0000   0.0000   0.0000   1.0167  ?   ?   148.880   66.189      ?      ? 
1 1 1   36   29    9 o  265.688   92.753   2.5687   1.5585   0.0000   0.0000   2.5687   1.5585  ?   ?   265.688   92.753      ?      ? 
1 1 1   36   29   11 o  179.294   52.148   0.6027   0.5147   0.5265   0.5424   1.2927   1.6318  145.169   54.156  213.420   89.133 -68.25128 104.2955 
1 1 1   36   29   13 o  169.923   49.817   0.5927   0.7296   0.9188   0.9084   0.0000   1.2247  181.477   69.544  158.369   71.349 23.10765 99.63473 
1 1 1   36   30    0 o  165.541   97.808   1.1825   1.4300   0.0000   0.0000   1.1825   1.4300  165.541   97.808  165.541   97.808 -0.000000 0.000000 
1 1 1   36   30    2 o  206.378   53.977   1.2568   0.8019   0.5730   1.1970   1.8136   1.0801  177.726   75.400  235.030   77.258 -57.30472 107.9536 
1 1 1   36   30    4 o  207.889   56.985   1.2199   0.9049   0.5601   1.2906   1.8579   1.2692  180.617   77.502  235.160   83.563 -54.54248 113.9707 
1 1 1   36   30    6 o  256.898   51.980   2.1760   0.9207   3.7759   1.2128   0.0000   1.4144  345.308   70.696  168.488   76.221 176.8196 103.9594 
1 1 1   36   30    8 f  215.029   58.735   1.3708   0.8919   1.0461   1.1144   1.9493   1.4877  193.372   76.198  236.686   89.404 -43.31432 117.4703 
1 1 1   36   30   10 o  226.766   60.348   1.7641   0.9647   1.9917   1.1848   1.3164   1.6619  240.592   80.968  212.941   89.508 27.65102 120.6958 
1 1 1   36   31    1 f  187.491   52.458   0.9479   0.7591   1.1808   0.9862   0.6091   1.1893  197.622   73.163  177.361   75.197 20.26065 104.9162 
1 1 1   36   31    3 o  169.916   49.828   0.5997   0.7136   0.5776   0.9913   0.6234   1.0281  168.194   69.793  171.639   71.137 -3.444763 99.65651 
1 1 1   36   31    5 o  204.861   55.080   1.0627   0.8814   2.2296   1.2767   0.0000   1.2183  251.602   84.052  158.119   71.207 93.48351 110.1595 
1 1 1   36   31    7 o  158.769   49.105   0.2031   0.7069   0.0000   0.8507   0.6561   1.2706  136.708   60.672  180.830   77.228 -44.12187 98.20985 
1 1 1   37    0    1 o  166.309   61.013   1.1157   0.6761   1.1525   0.9482   1.0776   0.9642  168.887   86.362  163.732   86.210 0.000000 0.000000 
1 1 1   37    0    3 o  127.452   51.272   0.5802   0.5346   0.3071   0.8768   0.7417   0.6745  117.552   72.855  137.352   72.162 0.000000 0.000000 
1 1 1   37    0    5 o  215.082   63.598   1.8443   0.8076   2.4410   1.0462   0.9641   1.2706  268.349   85.984  161.815   93.731 -0.000000 0.000000 
1 1 1   37    0    7 o  244.773   67.867   2.3472   0.8847   1.6295   1.3996   2.8247   1.1417  197.581  103.911  291.965   87.328 0.000000 0.000000 
1 1 1   37    0    9 o  200.571   82.008   1.5098   0.8330   1.5098   0.8330   0.0000   0.0000  200.571   82.008  200.571   82.008 -0.000000 0.000000 
1 1 1   37    0   11 o   90.893   56.077   0.1807   0.5136   0.0000   0.0000   0.1807   0.5136   90.893   56.077   90.893   56.077 0.000000 0.000000 
1 1 1   37    0   13 o  166.487   75.534   1.0827   0.6983   0.0000   0.0000   1.0827   0.6983  166.487   75.534  166.487   75.534 0.000000 0.000000 
1 1 1   37    0   15 o  136.133   68.041   0.7356   0.5810   0.7356   0.5810   0.0000   0.0000  136.133   68.041  136.133   68.041 -0.000000 0.000000 
1 1 1   37    0   17 o  190.234   49.469   0.9954   0.5556   2.4898   0.9383   0.1888   0.6894  278.867   75.715  101.602   63.687 0.000000 0.000000 
1 1 1   37    0   19 o  194.181   61.867   1.3929   0.6250   1.1743   0.7529   1.8777   1.1212  172.218   78.413  216.144   95.717 -0.000000 0.000000 
1 1 1   37    0   21 o  178.950   62.003   1.0997   0.6104   0.8179   0.7064   1.9301   1.2125  142.169   74.080  215.730   99.447 -0.000000 0.000000 
1 1 1   37    0   23 o  247.510   66.167   2.5331   0.8837   1.5630   1.5592   2.9921   1.0726  189.294  106.200  305.725   78.954 0.000000 0.000000 
1 1 1   37    0   25 o  190.235   99.478   1.5930   1.2772   1.5930   1.2772   0.0000   0.0000  190.235   99.478  190.235   99.478 0.000000 0.000000 
1 1 1   37    0   27 o  131.050   69.788   0.6995   0.6375   0.0000   0.0000   0.6995   0.6375  131.050   69.788  131.050   69.788 0.000000 0.000000 
1 1 1   37    0   29 o  303.212   64.734   3.9334   1.0729   5.1435   1.3262   1.6420   1.8250  418.003   66.835  188.420  110.884 -0.000000 0.000000 
1 1 1   37    0   31 o  128.770   52.121   0.6354   0.5337   0.8228   0.8562   0.5163   0.6825  140.158   78.673  117.383   68.388 0.000000 0.000000 
1 1 1   37    1    0 o  207.552   74.029   1.5075   0.7207   1.5075   0.7207   0.0000   0.0000  207.552   74.029  207.552   74.029 0.000000 0.000000 
1 1 1   37    1    2 o  144.632   37.677   0.4655   0.3703   0.3918   0.5261   0.5379   0.5215  139.315   53.034  149.949   53.533 -10.63428 75.35476 
1 1 1   37    1    4 o  348.521   42.490   3.4197   0.7291   4.2282   1.0306   2.6094   1.0317  396.309   50.581  300.733   68.288 95.57663 84.98019 
1 1 1   37    1    6 o  298.737   48.984   2.6216   0.7300   2.8019   0.9452   2.3551   1.1491  315.121   60.544  282.353   77.022 32.76840 97.96894 
1 1 1   37    1    8 o  221.196   36.893   1.2959   0.4635   2.2622   0.6820   0.4664   0.6319  290.941   45.596  151.451   58.011 139.4899 73.78539 
1 1 1   37    1   10 o  184.447   42.738   0.9160   0.4666   0.9776   0.6859   0.8629   0.6367  189.375   61.533  179.518   59.329 9.857269 85.47633 
1 1 1   37    1   12 o  178.375   58.645   0.8558   0.6224   0.0000   0.0000   0.8558   0.6224  ?   ?   178.375   58.645      ?      ? 
1 1 1   37    1   14 o  192.709   41.758   0.9882   0.4950   0.3794   0.7083   1.5694   0.6920  150.821   60.323  234.597   57.759 -83.77559 83.51634 
1 1 1   37    1   16 o  158.141   36.055   0.6356   0.3417   0.9222   0.5102   0.4025   0.4601  181.532   52.003  134.749   49.956 46.78235 72.11081 
1 1 1   37    1   18 o  221.079   40.605   1.3975   0.4658   1.5233   0.6769   1.2844   0.6419  230.400   57.367  211.757   57.482 18.64290 81.21052 
1 1 1   37    1   20 f  237.437   40.551   1.6516   0.4991   1.1850   0.7235   2.0754   0.6895  203.286   62.847  271.588   51.261 -68.30170 81.10142 
1 1 1   37    1   22 o  205.704   39.144   1.2153   0.4401   0.7816   0.6225   1.6488   0.6223  170.752   58.675  240.655   51.829 -69.90315 78.28778 
1 1 1   37    1   24 o  229.741   51.123   1.1407   0.5683   2.6844   1.3100   0.7827   0.6308  289.047   83.479  170.435   59.037 118.6117 102.2458 
1 1 1   37    1   26 o  229.936   63.131   1.5870   0.7691   1.5870   0.7691   0.0000   0.0000  229.936   63.131  ?   ?       ?      ? 
1 1 1   37    1   28 o  231.740   44.412   1.6021   0.5430   1.9463   0.8182   1.3312   0.7259  253.278   63.074  210.201   62.541 43.07715 88.82394 
1 1 1   37    1   30 o  289.963   41.489   2.5131   0.6053   2.7977   0.8331   2.1951   0.8809  313.689   51.659  266.237   64.936 47.45181 82.97769 
1 1 1   37    1   32 o  179.466   41.100   0.9615   0.4378   1.1189   0.6095   0.7936   0.6293  192.025   57.348  166.907   58.892 25.11751 82.20094 
1 1 1   37    2    1 o  314.522   52.747   2.8268   0.8026   2.6868   0.9797   3.1126   1.3999  307.101   64.119  321.942   83.771 -14.84143 105.4936 
1 1 1   37    2    3 o  384.311   55.551   4.4189   0.9887   4.6191   1.1832   3.9555   1.7999  412.222   55.830  356.401   96.055 55.82086 111.1017 
1 1 1   37    2    5 o  222.015   60.242   1.3985   0.7051   1.3985   0.7051   0.0000   0.0000  222.015   60.242  ?   ?       ?      ? 
1 1 1   37    2    7 o  247.757   49.788   1.9100   0.6692   2.2372   0.7851   1.0402   1.2799  282.475   56.039  213.039   82.311 69.43643 99.57679 
1 1 1   37    2    9 o  163.134   59.289   0.6329   0.6430   0.6329   0.6430   0.0000   0.0000  163.134   59.289  ?   ?       ?      ? 
1 1 1   37    2   11 o  157.336   37.783   0.5525   0.3906   1.0117   0.5761   0.1619   0.5314  190.295   55.474  124.377   51.311 65.91780 75.56623 
1 1 1   37    2   13 o  328.613   68.293   3.1303   1.1161   0.0000   0.0000   3.1303   1.1161  ?   ?   328.613   68.293      ?      ? 
1 1 1   37    2   15 o  344.346   48.534   3.4287   0.8414   3.9776   1.1865   2.8736   1.1933  378.431   60.984  310.262   75.518 68.16876 97.06718 
1 1 1   37    2   17 o  201.932   36.830   1.1579   0.4222   1.7873   0.5860   0.4788   0.6087  253.991   46.595  149.874   57.050 104.1164 73.66000 
1 1 1   37    2   19 o  163.069   38.041   0.7150   0.3720   0.7981   0.5101   0.6206   0.5436  169.928   52.813  156.210   54.767 13.71855 76.08276 
1 1 1   37    2   21 o  229.466   41.478   1.5350   0.5000   1.1625   0.7107   1.8998   0.7034  201.150   62.308  257.781   54.765 -56.63084 82.95510 
1 1 1   37    2   23 o  169.322   45.811   0.6400   0.5048   0.7382   0.9984   0.6062   0.5851  182.557   72.063  156.086   56.582 26.47066 91.62192 
1 1 1   37    2   25 o  144.072   37.800   0.4901   0.3735   0.5478   0.5127   0.4247   0.5453  147.689   53.044  140.455   53.867 7.234192 75.59956 
1 1 1   37    2   27 o  205.763   50.692   1.0660   0.5477   0.9200   0.6081   1.6939   1.2609  179.135   57.914  232.392   83.214 -53.25720 101.3832 
1 1 1   37    2   29 o  144.520   36.400   0.5126   0.3516   0.7601   0.5047   0.2793   0.4900  163.601   52.748  125.439   50.173 38.16221 72.79909 
1 1 1   37    2   31 o  202.298   40.797   1.2390   0.4449   1.2173   0.6197   1.2621   0.6392  200.675   57.255  203.920   58.134 -3.245209 81.59460 
1 1 1   37    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   37    3    2 o  620.659   85.332   11.232   2.7229   0.0000   0.0000   11.232   2.7229  ?   ?   620.659   85.332      ?      ? 
1 1 1   37    3    4 o  229.099   42.711   1.4902   0.5107   1.3912   0.7142   1.5938   0.7304  221.413   60.859  236.785   59.944 -15.37234 85.42262 
1 1 1   37    3    6 o  294.079   43.205   2.4558   0.6300   2.4085   0.9310   2.4958   0.8556  290.151   64.118  298.006   57.928 -7.854767 86.41055 
1 1 1   37    3    8 o  198.869   47.154   0.9550   0.5216   0.7751   0.6122   1.4317   0.9965  172.154   58.199  225.584   74.209 -53.43063 94.30821 
1 1 1   37    3   10 o  332.696   75.155   3.2612   1.2552   3.2612   1.2552   0.0000   0.0000  332.696   75.155  ?   ?       ?      ? 
1 1 1   37    3   12 o  209.992   64.373   1.2471   0.7609   1.2471   0.7609   0.0000   0.0000  209.992   64.373  ?   ?       ?      ? 
1 1 1   37    3   14 o  234.107   46.546   1.6094   0.5943   1.2332   0.8937   1.9077   0.7958  210.460   70.322  257.755   61.000 -47.29567 93.09261 
1 1 1   37    3   16 o  497.873   36.316   6.7641   0.9232   7.6857   1.3130   5.8630   1.2984  533.314   47.886  462.431   54.611 70.88318 72.63269 
1 1 1   37    3   18 o  212.094   39.525   1.2916   0.4515   1.6964   0.6319   0.8694   0.6453  245.201   51.751  178.988   59.757 66.21326 79.05057 
1 1 1   37    3   20 o  290.826   51.378   2.7525   0.7608   1.7385   1.4514   3.1367   0.8934  243.496   88.985  338.156   51.387 -94.66029 102.7569 
1 1 1   37    3   22 o  184.347   46.326   0.5338   0.4935   1.7733   1.0609   0.1914   0.5575  241.513   76.328  127.182   52.522 114.3316 92.65263 
1 1 1   37    3   24 o  197.613   37.305   1.0768   0.4236   1.7793   0.6173   0.4514   0.5825  250.397   49.704  144.828   55.644 105.5685 74.60999 
1 1 1   37    3   26 o  344.251   39.096   3.3498   0.6919   3.3407   0.9742   3.3592   0.9830  343.882   55.101  344.621   55.479 -0.7389526 78.19234 
1 1 1   37    3   28 o  162.443   43.209   0.6755   0.4905   0.8858   0.5617   0.0000   1.0067  175.357   55.551  149.529   66.199 25.82825 86.41841 
1 1 1   37    3   30 o  201.162   37.825   1.0612   0.4529   2.1072   0.6960   0.2933   0.5963  268.573   52.288  133.751   54.671 134.8225 75.64965 
1 1 1   37    3   32 o  184.941   42.665   1.0259   0.4614   1.0984   0.7163   0.9745   0.6032  189.612   62.941  180.270   57.618 9.342606 85.33092 
1 1 1   37    4    1 o  166.230   39.029   0.7110   0.3951   0.9100   0.5674   0.5235   0.5505  181.978   55.555  150.482   54.834 31.49573 78.05875 
1 1 1   37    4    3 o  318.184   51.665   2.8516   0.7859   3.2742   1.3895   2.6529   0.9529  330.815   82.089  305.552   62.758 25.26199 103.3304 
1 1 1   37    4    5 o  246.022   47.607   1.7534   0.6070   1.6502   1.0130   1.8113   0.7582  239.480   74.422  252.565   59.391 -13.08525 95.21487 
1 1 1   37    4    7 o  656.647   36.908   11.615   1.2435   12.608   1.8228   10.751   1.7006  682.962   51.913  630.333   52.476 52.62909 73.81570 
1 1 1   37    4    9 o  218.584   45.324   1.2883   0.5229   1.6539   0.8920   1.0970   0.6454  239.231   68.826  197.936   58.991 41.29474 90.64809 
1 1 1   37    4   11 o  187.952   42.929   0.9356   0.5232   0.2239   0.8069   1.4521   0.6874  150.099   62.682  225.806   58.674 -75.70673 85.85848 
1 1 1   37    4   13 o  243.580   66.245   1.7219   0.8515   1.7219   0.8515   0.0000   0.0000  243.580   66.245  ?   ?       ?      ? 
1 1 1   37    4   15 f  273.716   87.955   2.2906   1.4042   0.0000   0.0000   2.2906   1.4042  ?   ?   273.716   87.955      ?      ? 
1 1 1   37    4   17 o  273.179   40.325   2.1260   0.5481   2.0886   0.7768   2.1631   0.7733  270.478   57.628  275.881   56.423 -5.403748 80.65034 
1 1 1   37    4   19 o  270.045   48.779   2.4547   0.7021   0.9896   1.4146   2.9336   0.8088  211.444   85.008  328.645   47.869 -117.2011 97.55879 
1 1 1   37    4   21 o  140.395   38.270   0.3991   0.3850   0.4542   0.6044   0.3614   0.4994  147.100   56.639  133.690   51.481 13.40938 76.53944 
1 1 1   37    4   23 o  182.924   41.323   0.9206   0.4434   1.1995   0.6598   0.6910   0.5987  203.068   59.421  162.780   57.441 40.28813 82.64579 
1 1 1   37    4   25 o  263.350   43.164   2.0523   0.5733   2.2106   0.8244   1.9040   0.7979  273.816   60.199  252.883   61.874 20.93282 86.32708 
1 1 1   37    4   27 o  130.299   34.979   0.3715   0.3220   0.4065   0.4776   0.3423   0.4359  134.182   50.664  126.417   48.240 7.764229 69.95731 
1 1 1   37    4   29 o  209.623   51.129   1.1925   0.5990   0.9872   0.6912   1.8116   1.2001  183.900   61.845  235.346   81.435 -51.44696 102.2572 
1 1 1   37    4   31 o  153.736   39.065   0.5994   0.3823   0.8201   0.6344   0.4736   0.4791  169.479   59.176  137.993   51.014 31.48631 78.12916 
1 1 1   37    5    0 o  101.893   58.160   0.3618   0.4785   0.0000   0.0000   0.3618   0.4785  101.893   58.160  101.893   58.160 -0.000000 0.000000 
1 1 1   37    5    2 o  165.216   39.852   0.6928   0.4058   0.8109   0.6013   0.5940   0.5498  174.704   57.656  155.729   55.033 18.97589 79.70492 
1 1 1   37    5    4 o  227.592   43.757   1.4711   0.5228   1.5142   0.7879   1.4371   0.6989  230.187   64.167  224.997   59.508 5.190659 87.51357 
1 1 1   37    5    6 o  198.281   43.848   1.0173   0.4775   1.3883   0.8219   0.8282   0.5867  221.035   66.728  175.528   56.903 45.50647 87.69602 
1 1 1   37    5    8 o  183.869   41.789   0.9162   0.4447   0.8964   0.5860   0.9430   0.6830  180.940   56.662  186.799   61.438 -5.858673 83.57735 
1 1 1   37    5   10 o  429.386   50.551   5.1909   1.0476   7.7407   1.5925   3.2459   1.3909  530.987   58.335  327.785   82.575 203.2025 101.1023 
1 1 1   37    5   12 o  389.732   50.476   4.4360   0.9707   3.9114   1.4676   4.8439   1.2942  360.727   81.101  418.736   60.114 -58.00891 100.9513 
1 1 1   37    5   14 o  259.235   49.207   1.9563   0.6691   2.2264   0.9940   1.7327   0.9047  275.026   70.095  243.444   69.078 31.58208 98.41304 
1 1 1   37    5   16 o  297.909   62.614   2.7932   1.0384   3.1127   1.4090   2.4134   1.5362  317.133   84.784  278.686   92.160 38.44705 125.2271 
1 1 1   37    5   18 o  222.600   64.766   1.4419   0.7859   0.0000   0.0000   1.4419   0.7859  ?   ?   222.600   64.766      ?      ? 
1 1 1   37    5   20 o  179.354   40.179   0.8981   0.4232   1.0877   0.5778   0.6786   0.6216  195.132   55.152  163.575   58.444 31.55728 80.35794 
1 1 1   37    5   22 o  175.531   39.596   0.8632   0.4024   0.8095   0.6083   0.9050   0.5366  172.259   58.018  178.803   53.900 -6.544815 79.19118 
1 1 1   37    5   24 o  262.043   41.365   2.0045   0.5426   1.9095   0.7453   2.1116   0.7915  255.524   58.054  268.562   58.940 -13.03795 82.72971 
1 1 1   37    5   26 o  194.403   38.405   0.9715   0.4502   1.8820   0.6830   0.2719   0.5987  254.732   53.835  134.074   54.788 120.6576 76.81062 
1 1 1   37    5   28 o  508.961   37.856   7.3671   0.9886   7.6306   1.3761   7.0860   1.4213  520.226   51.451  497.697   55.545 22.52820 75.71249 
1 1 1   37    5   30 o  222.996   50.862   1.6668   0.6635   1.8819   0.7548   0.9358   1.3915  248.824   59.753  197.168   82.324 51.65637 101.7235 
1 1 1   37    5   32 o  223.766   46.616   1.5760   0.5601   1.6997   0.9173   1.5024   0.7073  227.805   70.822  219.726   60.635 8.079193 93.23293 
1 1 1   37    6    1 f  319.922   43.709   2.9468   0.6941   2.0568   1.0013   3.7703   0.9631  265.580   71.670  374.263   50.053 -108.6832 87.41762 
1 1 1   37    6    3 o  207.292   43.019   1.1298   0.5205   0.5557   0.7040   1.8221   0.7731  161.556   61.385  253.027   60.285 -91.47118 86.03727 
1 1 1   37    6    5 o  287.197   46.262   2.4096   0.6724   2.8709   0.9227   1.8872   0.9820  319.875   58.255  254.518   71.882 65.35709 92.52406 
1 1 1   37    6    7 o  221.194   48.244   1.3333   0.5893   1.6783   0.9661   1.1289   0.7437  240.776   72.270  201.613   63.930 39.16269 96.48820 
1 1 1   37    6    9 o  190.932   42.542   0.9844   0.4427   1.0352   0.8001   0.9620   0.5315  196.135   66.533  185.729   53.033 10.40672 85.08349 
1 1 1   37    6   11 f  332.810   48.129   3.0597   0.8060   4.1513   1.2585   2.3006   1.0494  386.269   63.372  279.352   72.454 106.9176 96.25813 
1 1 1   37    6   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   37    6   15 o  164.466   56.142   0.7063   0.5697   0.0000   0.0000   0.7063   0.5697  ?   ?   164.466   56.142      ?      ? 
1 1 1   37    6   17 o  354.474   56.332   3.4722   1.0266   3.4722   1.0266   0.0000   0.0000  354.474   56.332  ?   ?       ?      ? 
1 1 1   37    6   19 o  329.106   44.239   2.8855   0.7180   4.6964   1.1752   1.8072   0.9069  411.717   55.521  246.495   68.890 165.2223 88.47829 
1 1 1   37    6   21 o  253.508   38.853   1.8294   0.5145   2.7084   0.7465   1.0340   0.7101  315.660   45.997  191.356   62.629 124.3048 77.70524 
1 1 1   37    6   23 o  183.161   47.784   0.8825   0.5379   0.9818   0.5979   0.4605   1.2323  185.320   57.105  181.001   76.631 4.319565 95.56828 
1 1 1   37    6   25 o  377.292   42.527   4.2533   0.7583   5.9395   1.0750   2.5833   1.0698  465.889   44.879  288.695   72.249 177.1933 85.05317 
1 1 1   37    6   27 o  253.794   41.086   1.9338   0.5486   1.2565   0.7924   2.5570   0.7602  204.636   66.107  302.952   48.806 -98.31618 82.17137 
1 1 1   37    6   29 o  166.514   35.786   0.6890   0.3847   1.3688   0.5621   0.0904   0.5276  216.075   51.357  116.952   49.850 99.12238 71.57227 
1 1 1   37    6   31 o  203.333   51.642   1.0387   0.5614   0.8410   0.6204   1.9331   1.3195  170.471   58.576  236.195   85.068 -65.72356 103.2848 
1 1 1   37    7    0 o  315.105   98.868   3.3869   1.4061   0.0000   0.0000   3.3869   1.4061  315.105   98.868  315.105   98.868 -0.000000 0.000000 
1 1 1   37    7    2 o  509.476   57.508   7.7366   1.4217   6.5415   2.1621   8.6469   1.8870  461.510   94.307  557.442   65.841 -95.93179 115.0168 
1 1 1   37    7    4 o  203.217   48.658   1.0486   0.5748   1.3835   1.0137   0.8899   0.6979  222.966   74.895  183.467   62.139 39.49835 97.31676 
1 1 1   37    7    6 o  349.664   39.782   3.3947   0.6920   3.1893   1.0283   3.5647   0.9354  335.691   61.863  363.636   50.035 -27.94565 79.56496 
1 1 1   37    7    8 o  298.791   53.547   2.4863   0.7924   0.0000   0.0000   2.4863   0.7924  ?   ?   298.791   53.547      ?      ? 
1 1 1   37    7   10 o  385.016   60.414   4.0946   1.1959   0.0000   0.0000   4.0946   1.1959  ?   ?   385.016   60.414      ?      ? 
1 1 1   37    7   12 o  252.398   63.052   1.8390   0.8158   0.0000   0.0000   1.8390   0.8158  ?   ?   252.398   63.052      ?      ? 
1 1 1   37    7   14 o  201.326   47.313   1.1000   0.5546   1.2133   0.9324   1.0380   0.6900  209.549   71.820  193.103   61.612 16.44585 94.62624 
1 1 1   37    7   16 o  240.597   50.321   1.5666   0.6603   2.3803   1.0947   1.1012   0.8279  281.478   74.486  199.716   67.680 81.76294 100.6415 
1 1 1   37    7   18 o  398.948   38.547   4.3917   0.7899   4.4030   1.1413   4.3813   1.0944  398.862   55.658  399.035   53.345 -0.1724854 77.09399 
1 1 1   37    7   20 o  321.805   62.323   3.3407   1.0422   3.4127   1.3021   3.2121   1.7388  333.562   77.418  310.048   97.689 23.51459 124.6464 
1 1 1   37    7   22 o  174.667   38.060   0.8599   0.3756   0.8441   0.5310   0.8757   0.5313  173.301   53.888  176.034   53.761 -2.732880 76.11909 
1 1 1   37    7   24 o  300.789   42.786   2.6576   0.6385   2.7167   0.8934   2.5959   0.9130  305.132   59.086  296.445   61.899 8.686432 85.57243 
1 1 1   37    7   26 o  199.648   39.446   1.1380   0.4463   1.6960   0.6470   0.6313   0.6165  241.419   53.531  157.877   57.952 83.54233 78.89233 
1 1 1   37    7   28 o  236.558   42.133   1.6761   0.5119   1.8689   0.7538   1.5112   0.6972  249.238   59.627  223.878   59.542 25.35979 84.26523 
1 1 1   37    7   30 o  215.701   43.545   1.4323   0.5072   1.5145   0.7229   1.3527   0.7118  221.740   61.342  209.662   61.820 12.07794 87.08952 
1 1 1   37    8    1 o  234.404   50.514   1.5956   0.6754   1.2258   1.0257   1.8786   0.8974  214.020   75.215  254.788   67.448 -40.76707 101.0274 
1 1 1   37    8    3 f  192.571   44.845   0.9443   0.4833   1.2190   0.8772   0.8246   0.5790  210.179   69.651  174.962   56.507 35.21725 89.69012 
1 1 1   37    8    5 o  232.949   48.342   1.5237   0.5767   1.5960   1.0901   1.4956   0.6796  236.339   77.610  229.557   57.658 6.781967 96.68365 
1 1 1   37    8    7 o  190.329   43.132   1.0419   0.4676   0.4815   0.9671   1.2129   0.5341  172.595   69.971  208.063   50.453 -35.46802 86.26409 
1 1 1   37    8    9 o  187.836   54.167   0.9862   0.5519   0.0000   0.0000   0.9862   0.5519  ?   ?   187.836   54.167      ?      ? 
1 1 1   37    8   11 o  212.910   46.788   1.2123   0.5471   1.6098   0.9288   1.0010   0.6771  235.368   70.907  190.451   61.064 44.91780 93.57687 
1 1 1   37    8   13 o  199.445   46.562   1.0625   0.5367   1.2816   0.9006   0.9418   0.6684  213.340   70.567  185.550   60.765 27.78935 93.12405 
1 1 1   37    8   15 o  248.812   47.799   1.6461   0.6383   2.7237   1.0456   1.0059   0.8059  304.540   68.446  193.085   66.738 111.4556 95.59727 
1 1 1   37    8   17 o  133.111   35.087   0.3701   0.3117   0.4997   0.5202   0.2975   0.3892  145.698   53.268  120.523   45.682 25.17507 70.17372 
1 1 1   37    8   19 o  238.447   42.535   1.6352   0.5232   1.9787   0.7778   1.3512   0.7071  261.313   59.257  215.582   61.038 45.73062 85.07073 
1 1 1   37    8   21 o  209.988   51.001   1.2591   0.7142   1.7685   0.9173   0.4748   1.1381  242.232   69.828  177.744   74.354 64.48796 102.0024 
1 1 1   37    8   23 o  265.786   41.852   2.0812   0.5573   1.8940   0.8095   2.2498   0.7683  252.296   62.688  279.277   55.467 -26.98161 83.70432 
1 1 1   37    8   25 o  337.472   41.061   3.2901   0.6920   3.7602   0.9906   2.8420   0.9671  366.103   52.629  308.842   63.042 57.26080 82.12209 
1 1 1   37    8   27 o  249.757   41.179   1.8783   0.5273   1.3817   0.7497   2.3646   0.7418  213.421   63.570  286.093   52.361 -72.67218 82.35814 
1 1 1   37    8   29 o  180.695   39.423   0.9629   0.4038   1.0377   0.5672   0.8860   0.5749  187.021   55.196  174.368   56.303 12.65324 78.84618 
1 1 1   37    8   31 o  130.993   38.833   0.2399   0.3648   0.3216   0.8300   0.2203   0.4062  148.569   62.894  113.417   45.568 35.15152 77.66632 
1 1 1   37    9    0 o  369.336   61.160   3.8901   1.0656   0.0000   0.0000   3.8901   1.0656  369.336   61.160  369.336   61.160 -0.000000 0.000000 
1 1 1   37    9    2 o  413.749   42.957   4.9243   0.8524   3.6649   1.2607   5.9849   1.1569  355.344   71.483  472.155   47.658 -116.8105 85.91357 
1 1 1   37    9    4 o  251.371   42.634   1.7973   0.5386   1.8336   0.8343   1.7714   0.7052  252.346   64.161  250.397   56.160 1.948563 85.26785 
1 1 1   37    9    6 o  156.626   37.774   0.6002   0.3631   0.8087   0.5655   0.4540   0.4737  173.126   55.834  140.127   50.893 32.99918 75.54811 
1 1 1   37    9    8 o  173.608   42.920   0.7776   0.4570   0.6118   0.8247   0.8511   0.5490  171.043   66.077  176.173   54.792 -5.130722 85.83907 
1 1 1   37    9   10 o  372.912   48.899   3.8220   0.9038   5.1295   1.4441   2.9801   1.1588  427.734   65.667  318.091   72.474 109.6429 97.79858 
1 1 1   37    9   12 o  498.010   49.116   6.8460   1.1993   9.3105   1.8829   5.1636   1.5557  577.018   63.471  419.001   74.972 158.0168 98.23106 
1 1 1   37    9   14 o  170.450   41.299   0.7735   0.4377   0.5244   0.7352   0.9103   0.5447  160.309   62.259  180.590   54.279 -20.28143 82.59787 
1 1 1   37    9   16 o  263.272   50.545   1.9166   0.6566   2.5463   1.2084   1.6529   0.7821  288.413   79.113  238.131   62.930 50.28223 101.0894 
1 1 1   37    9   18 o  183.316   45.529   0.8929   0.5008   0.7638   0.9662   0.9404   0.5856  183.768   71.374  182.863   56.544 0.9044495 91.05788 
1 1 1   37    9   20 o  179.820   38.656   0.7940   0.4167   1.4740   0.6501   0.3199   0.5429  225.698   56.235  133.942   53.054 91.75621 77.31161 
1 1 1   37    9   22 o  212.624   50.320   1.3927   0.6586   1.6734   0.7541   0.4904   1.3520  237.890   61.283  187.358   79.830 50.53252 100.6403 
1 1 1   37    9   24 o  240.861   37.797   1.6131   0.5298   3.0409   0.7776   0.3760   0.7238  333.082   45.411  148.641   60.435 184.4412 75.59436 
1 1 1   37    9   26 o  165.601   39.840   0.7485   0.4130   0.5438   0.5856   0.9512   0.5827  150.085   56.216  181.116   56.469 -31.03105 79.68021 
1 1 1   37    9   28 o  341.739   40.822   3.4207   0.6922   2.7777   0.9577   4.1240   1.0016  301.814   63.720  381.665   51.043 -79.85147 81.64362 
1 1 1   37    9   30 o  282.991   82.767   2.7862   1.2805   2.7862   1.2805   0.0000   0.0000  282.991   82.767  ?   ?       ?      ? 
1 1 1   37   10    1 o  193.019   42.220   1.0353   0.4626   0.9541   0.6655   1.1113   0.6434  187.069   60.596  198.970   58.807 -11.90091 84.44041 
1 1 1   37   10    3 o  214.797   42.154   1.2654   0.4780   1.6091   0.7537   1.0341   0.6182  237.077   61.359  192.518   57.818 44.55878 84.30832 
1 1 1   37   10    5 o  305.375   42.791   2.7260   0.6391   2.1267   1.0045   3.1336   0.8284  269.195   71.406  341.554   47.177 -72.35907 85.58281 
1 1 1   37   10    7 o  181.654   38.415   0.9398   0.3992   0.5829   0.6426   1.1641   0.5093  159.375   59.047  203.933   49.155 -44.55849 76.82929 
1 1 1   37   10    9 o  233.977   46.152   1.3805   0.5273   2.1580   1.0271   1.1021   0.6145  270.254   72.445  197.701   57.199 72.55342 92.30370 
1 1 1   37   10   11 o  182.855   45.386   0.7810   0.4801   1.1561   0.9320   0.6455   0.5601  206.235   71.743  159.476   55.609 46.75862 90.77160 
1 1 1   37   10   13 o  228.468   47.626   1.5314   0.5902   1.3771   0.9767   1.6202   0.7408  219.952   73.515  236.984   60.569 -17.03227 95.25229 
1 1 1   37   10   15 o  419.148   49.176   4.9852   1.0288   5.8973   1.5915   4.3304   1.3484  454.471   68.114  383.824   70.946 70.64746 98.35130 
1 1 1   37   10   17 o  331.486   48.273   3.1092   0.7549   3.6641   1.3340   2.8477   0.9156  347.472   76.724  315.499   58.605 31.97333 96.54627 
1 1 1   37   10   19 o  441.991   39.238   5.4255   0.8766   6.7592   1.2795   4.2459   1.2033  496.199   50.156  387.784   60.356 108.4145 78.47598 
1 1 1   37   10   21 o  122.277   34.875   0.2518   0.3116   0.0000   0.6440   0.3287   0.3560  124.495   54.086  120.060   44.044 4.434868 69.75067 
1 1 1   37   10   23 o  251.702   48.043   2.2078   0.7602   2.9311   0.8760   0.0000   1.5303  323.884   52.605  179.521   80.407 144.3627 96.08643 
1 1 1   37   10   25 o  158.884   38.325   0.6400   0.3772   0.9495   0.5901   0.4263   0.4904  181.260   56.879  136.508   51.383 44.75191 76.65099 
1 1 1   37   10   27 o  209.322   57.213   1.0552   0.8313   0.5930   1.0037   2.0652   1.4835  171.879   70.667  246.766   89.998 -74.88681 114.4268 
1 1 1   37   10   29 o  215.540   67.059   1.4598   0.8222   1.4598   0.8222   0.0000   0.0000  215.540   67.059  ?   ?       ?      ? 
1 1 1   37   11    0 o   99.165   64.398   0.0000   0.7850   0.0000   0.0000   0.0000   0.7850   99.165   64.398   99.165   64.398 -0.000000 0.000000 
1 1 1   37   11    2 o  485.181   55.873   6.9517   1.2145   7.0779   1.4484   6.6526   2.2292  509.195   55.325  461.167   97.088 48.02744 111.7452 
1 1 1   37   11    4 o  219.612   39.879   1.2864   0.4593   1.9368   0.7256   0.8516   0.5933  262.013   55.587  177.212   57.196 84.80138 79.75779 
1 1 1   37   11    6 o  246.775   41.328   1.6698   0.5215   2.3739   0.8067   1.1644   0.6835  290.451   56.052  203.098   60.747 87.35231 82.65611 
1 1 1   37   11    8 o  178.667   46.432   0.7434   0.5234   0.6839   0.6237   0.8851   0.9626  165.296   58.594  192.039   72.046 -26.74307 92.86448 
1 1 1   37   11   10 o  168.448   47.125   0.5460   0.5987   0.6127   0.7698   0.4441   0.9522  167.683   64.078  169.214   69.116 -1.531036 94.24915 
1 1 1   37   11   12 o  192.229   45.955   0.7189   0.5089   1.7612   0.9931   0.3479   0.5926  244.084   73.273  140.373   55.484 103.7114 91.90981 
1 1 1   37   11   14 o  178.715   45.600   0.7120   0.4788   1.1248   0.9617   0.5759   0.5521  204.113   72.716  153.317   55.044 50.79611 91.19963 
1 1 1   37   11   16 f  264.778   45.748   1.8437   0.6066   3.0136   1.0492   1.2561   0.7436  320.903   65.800  208.652   63.575 112.2509 91.49544 
1 1 1   37   11   18 o  141.984   36.773   0.4746   0.3445   0.4614   0.5580   0.4827   0.4379  144.684   54.732  139.285   49.127 5.399017 73.54626 
1 1 1   37   11   20 o  163.204   38.726   0.6803   0.3932   0.9999   0.5847   0.4165   0.5313  186.958   56.246  139.449   53.247 47.50871 77.45218 
1 1 1   37   11   22 o  220.761   41.383   1.4044   0.4802   1.7805   0.7230   1.1075   0.6424  246.384   58.035  195.138   59.009 51.24564 82.76514 
1 1 1   37   11   24 o  240.355   61.563   1.7321   0.7641   1.7321   0.7641   0.0000   0.0000  240.355   61.563  ?   ?       ?      ? 
1 1 1   37   11   26 o  266.458   62.436   2.4144   0.9882   2.2623   1.3004   2.6223   1.5201  259.405   84.747  273.511   91.712 -14.10571 124.8729 
1 1 1   37   11   28 o  193.870   59.705   1.1319   0.6537   1.1319   0.6537   0.0000   0.0000  193.870   59.705  ?   ?       ?      ? 
1 1 1   37   11   30 o  225.274   48.676   1.2229   0.5286   0.8579   0.5911   2.6799   1.1810  170.911   57.193  279.636   78.780 -108.7251 97.35107 
1 1 1   37   12    1 o  236.864   49.746   1.5952   0.6015   1.6095   1.1821   1.5902   0.6987  237.466   80.869  236.262   57.957 1.203537 99.49296 
1 1 1   37   12    3 o  233.497   41.841   1.6083   0.5083   1.1966   0.7967   1.8909   0.6601  206.671   66.233  260.322   51.146 -53.65099 83.68217 
1 1 1   37   12    5 o  193.513   39.123   0.9720   0.4051   1.4431   0.6681   0.6981   0.5094  225.053   57.521  161.973   53.046 63.08008 78.24681 
1 1 1   37   12    7 o  294.707   41.407   2.5339   0.5996   1.9599   0.9308   2.9410   0.7839  258.609   68.803  330.805   46.090 -72.19666 82.81422 
1 1 1   37   12    9 o  238.051   46.704   1.7988   0.6390   0.6613   1.1364   2.3246   0.7727  188.482   76.046  287.620   54.242 -99.13766 93.40874 
1 1 1   37   12   11 f  337.948   49.649   3.0437   0.8418   4.9571   1.4019   1.9646   1.0528  419.411   65.012  256.485   75.056 162.9258 99.29775 
1 1 1   37   12   13 o  688.864   72.796   13.735   2.5782   13.735   2.5782   0.0000   0.0000  688.864   72.796  ?   ?       ?      ? 
1 1 1   37   12   15 f  239.923   49.026   1.5783   0.6250   2.2949   1.0523   1.1876   0.7770  275.849   73.043  203.996   65.412 71.85342 98.05103 
1 1 1   37   12   17 o  240.981   48.516   1.7260   0.5995   1.6698   1.1056   1.7494   0.7134  235.989   78.192  245.973   57.454 -9.983795 97.03111 
1 1 1   37   12   19 o  266.253   56.852   2.2288   0.7939   2.2967   0.9164   2.0243   1.5897  277.900   65.253  254.606   93.117 23.29361 113.7043 
1 1 1   37   12   21 o  269.403   56.829   1.9622   0.7265   1.6564   0.8167   3.1213   1.5901  234.885   65.278  303.921   93.042 -69.03664 113.6575 
1 1 1   37   12   23 o  221.506   50.731   1.5906   0.6917   1.9376   0.7968   0.5292   1.3936  254.665   61.540  188.346   80.669 66.31897 101.4624 
1 1 1   37   12   25 o  204.164   54.387   1.1677   0.8126   1.6269   1.0667   0.5331   1.2542  227.296   76.826  181.032   77.005 46.26418 108.7744 
1 1 1   37   12   27 o  176.836   55.576   0.9147   0.5631   0.9147   0.5631   0.0000   0.0000  176.836   55.576  ?   ?       ?      ? 
1 1 1   37   12   29 o  199.980   47.919   1.0825   0.5056   0.9306   0.5697   1.6457   1.0971  177.010   55.935  222.949   77.821 -45.93900 95.83750 
1 1 1   37   13    0 o  163.280   64.115   0.9687   0.5159   0.9687   0.5159   0.0000   0.0000  163.280   64.115  163.280   64.115 0.000000 0.000000 
1 1 1   37   13    2 o  139.457   33.395   0.4889   0.2986   0.2220   0.4640   0.6775   0.3901  121.838   48.791  157.077   45.612 -35.23875 66.79077 
1 1 1   37   13    4 f  162.253   43.993   0.4863   0.4046   0.7892   1.0058   0.4278   0.4419  188.789   72.960  135.717   49.177 53.07159 87.98639 
1 1 1   37   13    6 o  182.702   39.623   0.8204   0.4358   1.4634   0.6675   0.3426   0.5754  226.440   57.289  138.963   54.753 87.47705 79.24623 
1 1 1   37   13    8 o  165.642   37.878   0.7237   0.3639   0.8596   0.5676   0.6289   0.4742  176.799   55.827  154.485   51.208 22.31364 75.75606 
1 1 1   37   13   10 o  164.995   38.931   0.7573   0.4096   0.0000   0.8202   1.0088   0.4727  140.456   61.029  189.534   48.353 -49.07779 77.86245 
1 1 1   37   13   12 o  231.336   75.374   1.5677   1.0289   1.5677   1.0289   0.0000   0.0000  231.336   75.374  ?   ?       ?      ? 
1 1 1   37   13   14 o  261.289   81.596   2.0963   1.2161   2.0963   1.2161   0.0000   0.0000  261.289   81.596  ?   ?       ?      ? 
1 1 1   37   13   16 o  384.250   62.810   5.1516   1.2719   6.4324   1.5980   2.9370   2.1012  474.032   65.568  294.468  107.151 179.5640 125.6205 
1 1 1   37   13   18 o  274.532   54.628   1.8307   0.6845   1.4032   0.7647   3.5554   1.5359  218.205   64.001  330.858   88.548 -112.6522 109.2562 
1 1 1   37   13   20 o  170.587   45.358   0.7318   0.5385   0.9604   0.6169   0.0000   1.1036  183.563   58.224  157.611   69.566 25.95236 90.71658 
1 1 1   37   13   22 o  203.734   53.764   1.1582   0.7507   1.2156   0.9711   1.0731   1.1833  204.999   73.067  202.468   78.889 2.531723 107.5281 
1 1 1   37   13   24 o  265.732   55.661   2.0696   0.7361   2.0696   0.7361   0.0000   0.0000  265.732   55.661  ?   ?       ?      ? 
1 1 1   37   13   26 o  153.513   45.463   0.3508   0.5126   0.2970   0.5781   0.5485   1.1085  132.937   54.025  174.089   73.135 -41.15215 90.92577 
1 1 1   37   13   28 o  278.499   51.231   2.8047   0.7249   3.0947   0.8121   1.6680   1.6078  331.181   47.696  225.816   90.684 105.3651 102.4620 
1 1 1   37   14    1 o  144.080   32.887   0.5177   0.3081   0.0995   0.4645   0.8461   0.4116  113.794   47.541  174.367   45.452 -60.57325 65.77325 
1 1 1   37   14    3 o  246.622   72.673   1.7913   0.9839   1.7913   0.9839   0.0000   0.0000  246.622   72.673  ?   ?       ?      ? 
1 1 1   37   14    5 o  609.409   82.971   10.998   2.5996   10.998   2.5996   0.0000   0.0000  609.409   82.971  ?   ?       ?      ? 
1 1 1   37   14    7 o  322.137   58.682   3.0997   0.8895   3.0246   1.0275   3.3243   1.7768  323.968   63.962  320.305   98.403 3.663025 117.3635 
1 1 1   37   14    9 o  231.179   49.854   1.2157   0.7556   0.0000   0.9968   2.8573   1.1584  153.302   66.934  309.056   73.901 -155.7542 99.70750 
1 1 1   37   14   11 o  291.548   58.856   2.5381   0.9239   1.9819   1.1996   3.3490   1.4484  255.656   81.204  327.440   85.217 -71.78435 117.7110 
1 1 1   37   14   13 o  232.589   79.434   1.5886   1.1405   1.5886   1.1405   0.0000   0.0000  232.589   79.434  ?   ?       ?      ? 
1 1 1   37   14   15 o  249.111   51.011   1.9144   0.6069   2.0033   0.6656   1.4761   1.4782  266.724   50.383  231.498   88.714 35.22540 102.0229 
1 1 1   37   14   17 o  268.680   62.485   2.2149   0.9331   2.0857   1.0999   2.5468   1.7625  259.712   76.921  277.648   98.492 -17.93622 124.9705 
1 1 1   37   14   19 o  235.260   34.707   0.5904   0.3607   0.1323   0.3864   3.6938   1.0056  106.847   43.878  363.672   53.786 -256.8249 69.41321 
1 1 1   37   14   21 o  200.939   46.565   0.7466   0.4524   0.4646   0.4952   2.1731   1.1136  140.083   51.846  261.794   77.364 -121.7102 93.12995 
1 1 1   37   14   23 o  338.344   44.203   3.1427   0.7689   3.1427   0.7689   0.0000   0.0000  338.344   44.203  ?   ?       ?      ? 
1 1 1   37   14   25 o  177.004   44.717   0.7282   0.3725   0.6773   0.3958   1.1225   1.1019  154.522   46.231  199.486   76.559 -44.96371 89.43500 
1 1 1   37   14   27 o  234.982   54.087   1.9616   0.8245   2.4457   0.9567   0.5644   1.6253  278.377   67.538  191.587   84.501 86.78970 108.1743 
1 1 1   37   15    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   37   15    2 o  250.895   42.599   0.9394   0.4245   0.5584   0.4532   3.6585   1.2107  147.396   50.075  354.395   68.928 -206.9986 85.19762 
1 1 1   37   15    4 o  143.921   40.562   0.3360   0.2984   0.3215   0.3138   0.4734   0.9650  116.854   41.545  170.988   69.679 -54.13380 81.12383 
1 1 1   37   15    6 o  245.472   54.435   1.5258   0.6580   1.2845   0.7412   2.4223   1.4287  211.594   63.255  279.350   88.608 -67.75571 108.8695 
1 1 1   37   15    8 o  525.247   39.931   5.9094   0.8893   4.7917   0.9788   11.201   2.1296  421.742   45.140  628.751   65.880 -207.0090 79.86132 
1 1 1   37   15   10 o  187.210   46.359   0.8661   0.4541   0.8439   0.4976   0.9764   1.1113  173.858   51.790  200.561   76.905 -26.70293 92.71812 
1 1 1   37   15   12 o  402.186   48.268   4.4034   0.9981   4.4034   0.9981   0.0000   0.0000  402.186   48.268  ?   ?       ?      ? 
1 1 1   37   15   14 o  137.281   47.948   0.4727   0.4165   0.4727   0.4165   0.0000   0.0000  137.281   47.948  ?   ?       ?      ? 
1 1 1   37   15   16 o  174.811   46.193   0.7387   0.4494   0.7744   0.4834   0.5112   1.2200  166.589   51.352  183.033   76.800 -16.44319 92.38641 
1 1 1   37   15   18 o  153.294   44.234   0.4472   0.4248   0.5083   0.4529   0.0000   1.2255  141.735   49.964  164.852   73.008 -23.11652 88.46760 
1 1 1   37   15   20 o  230.497   55.658   1.5528   0.6521   1.5528   0.6521   0.0000   0.0000  230.497   55.658  ?   ?       ?      ? 
1 1 1   37   15   22 o  383.498   41.890   4.0090   0.8259   4.0090   0.8259   0.0000   0.0000  383.498   41.890  ?   ?       ?      ? 
1 1 1   37   15   24 o  209.534   48.481   1.2386   0.4400   1.2481   0.4602   1.1383   1.5019  209.477   44.123  209.590   86.341 -0.1121979 96.96168 
1 1 1   37   15   26 o  178.675   43.689   0.9543   0.4114   1.0503   0.4316   0.0000   1.3606  190.992   44.742  166.357   75.053 24.63408 87.37756 
1 1 1   37   15   28 o  207.809   47.902   1.3556   0.5246   1.3967   0.5774   1.1614   1.2557  216.063   52.498  199.555   80.139 16.50752 95.80349 
1 1 1   37   16    1 o  453.530   67.292   6.5841   1.5469   7.9861   2.1463   5.0685   2.2314  520.189   80.251  386.872  108.040 133.3161 134.5839 
1 1 1   37   16    3 f  386.491   41.220   2.4907   0.6001   1.7878   0.6397   7.6456   1.7324  252.282   51.074  520.700   64.712 -268.4188 82.43927 
1 1 1   37   16    5 o  402.004   55.172   4.7517   0.9084   4.7137   1.0208   4.8966   1.9913  417.260   47.585  386.748   99.556 30.51202 110.3433 
1 1 1   37   16    7 o  387.455   53.690   3.7103   0.9840   2.4931   1.1536   6.9617   1.8854  286.510   76.763  488.400   75.086 -201.8904 107.3802 
1 1 1   37   16    9 o  239.879   63.267   1.6829   0.7915   1.6829   0.7915   0.0000   0.0000  239.879   63.267  ?   ?       ?      ? 
1 1 1   37   16   11 o  135.858   48.924   0.4417   0.4364   0.4417   0.4364   0.0000   0.0000  135.858   48.924  ?   ?       ?      ? 
1 1 1   37   16   13 o  196.918   52.891   1.1085   0.5468   1.1085   0.5468   0.0000   0.0000  196.918   52.891  ?   ?       ?      ? 
1 1 1   37   16   15 o  258.734   66.314   2.0017   0.8862   2.0017   0.8862   0.0000   0.0000  258.734   66.314  ?   ?       ?      ? 
1 1 1   37   16   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   37   16   19 o  335.391   50.671   3.1280   0.8737   3.1280   0.8737   0.0000   0.0000  335.391   50.671  ?   ?       ?      ? 
1 1 1   37   16   21 o  192.413   48.561   1.0690   0.5708   1.1984   0.6401   0.5665   1.2613  201.348   58.411  183.478   77.595 17.87032 97.12265 
1 1 1   37   16   23 f  320.222   53.352   3.4356   0.7061   3.5432   0.7719   2.8841   1.7477  359.819   41.728  280.625   98.207 79.19431 106.7043 
1 1 1   37   16   25 o  273.485   53.704   2.1076   0.5798   2.0038   0.6153   2.9287   1.7312  268.577   44.563  278.393   97.726 -9.815887 107.4073 
1 1 1   37   16   27 o  188.434   47.882   1.0801   0.5540   1.1956   0.6158   0.5895   1.2693  198.163   57.236  178.704   76.776 19.45876 95.76302 
1 1 1   37   17    0 o  127.844   78.036   0.4647   0.9710   0.0000   0.0000   0.4647   0.9710  127.844   78.036  127.844   78.036 -0.000000 0.000000 
1 1 1   37   17    2 o  385.788   69.381   4.8576   1.3794   4.9324   1.9411   4.7812   1.9604  389.686   97.210  381.890   99.020 7.796478 138.7617 
1 1 1   37   17    4 o  195.087   75.914   0.8725   1.0946   0.8725   1.0946   0.0000   0.0000  195.087   75.914  ?   ?       ?      ? 
1 1 1   37   17    6 o  150.550   43.628   0.6245   0.3573   0.6245   0.3573   0.0000   0.0000  150.550   43.628  ?   ?       ?      ? 
1 1 1   37   17    8 o  182.456   51.057   0.9401   0.4978   0.9401   0.4978   0.0000   0.0000  182.456   51.057  ?   ?       ?      ? 
1 1 1   37   17   10 o  321.224   56.057   2.9008   0.8604   2.4118   1.0221   4.0898   1.5939  283.450   70.447  358.999   87.218 -75.54935 112.1146 
1 1 1   37   17   12 o  196.723   49.914   0.8804   0.5582   0.6878   0.6343   1.5423   1.1756  164.404   59.003  229.043   80.525 -64.63916 99.82775 
1 1 1   37   17   14 o   73.587   31.486   0.0000   0.2119   0.0000   0.2119   0.0000   0.0000   73.587   31.486  ?   ?       ?      ? 
1 1 1   37   17   16 o  258.180   54.393   1.9212   0.6992   1.9212   0.6992   0.0000   0.0000  258.180   54.393  ?   ?       ?      ? 
1 1 1   37   17   18 o  208.250   69.222   1.2843   0.8662   1.2843   0.8662   0.0000   0.0000  208.250   69.222  ?   ?       ?      ? 
1 1 1   37   17   20 o  188.134   49.370   1.0206   0.4835   1.0206   0.4835   0.0000   0.0000  188.134   49.370  ?   ?       ?      ? 
1 1 1   37   17   22 o  286.697   51.470   2.3460   0.5727   2.2624   0.6130   2.9195   1.6063  287.695   41.446  285.700   94.228 1.995667 102.9398 
1 1 1   37   17   24 o  209.856   47.856   1.3937   0.4867   1.4764   0.5113   0.5937   1.5896  227.186   45.362  192.527   84.280 34.65900 95.71172 
1 1 1   37   17   26 o  224.634   50.182   1.5930   0.5019   1.6288   0.5246   1.2054   1.7263  238.545   44.410  210.722   90.005 27.82289 100.3649 
1 1 1   37   18    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   37   18    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   37   18    5 o  233.216   86.616   1.5331   1.3844   0.0000   0.0000   1.5331   1.3844  ?   ?   233.216   86.616      ?      ? 
1 1 1   37   18    7 o  238.684   50.812   1.0200   0.5042   0.7177   0.5393   3.1203   1.4216  163.493   54.628  313.874   85.692 -150.3811 101.6233 
1 1 1   37   18    9 o  145.234   40.232   0.4699   0.3196   0.5466   0.3317  -0.5224   1.1934  141.355   42.330  149.113   68.431 -7.758453 80.46494 
1 1 1   37   18   11 o  371.786   54.147   3.3921   0.9569   2.1796   1.1137   6.8110   1.8702  265.552   77.052  478.020   76.097 -212.4679 108.2948 
1 1 1   37   18   13 o  162.534   55.042   0.7111   0.5476   0.7111   0.5476   0.0000   0.0000  162.534   55.042  ?   ?       ?      ? 
1 1 1   37   18   15 o  214.853   62.538   1.3662   0.7326   1.3662   0.7326   0.0000   0.0000  214.853   62.538  ?   ?       ?      ? 
1 1 1   37   18   17 o  204.135   61.928   1.2307   0.7066   1.2307   0.7066   0.0000   0.0000  204.135   61.928  ?   ?       ?      ? 
1 1 1   37   18   19 o  163.241   61.726   0.6528   0.7096   0.6528   0.7096   0.0000   0.0000  163.241   61.726  ?   ?       ?      ? 
1 1 1   37   18   21 o  291.811   48.440   2.3780   0.7267   2.3780   0.7267   0.0000   0.0000  291.811   48.440  ?   ?       ?      ? 
1 1 1   37   18   23 o  205.342   44.365   1.3761   0.4693   1.5051   0.5069   0.6012   1.2425  229.892   44.493  180.793   76.768 49.09924 88.72969 
1 1 1   37   18   25 o  244.462   53.677   1.6697   0.5194   1.5947   0.5440   2.4431   1.7473  234.877   46.695  254.046   96.666 -19.16905 107.3535 
1 1 1   37   19    0 o  214.835  101.811   1.9428   1.2771   1.9428   1.2771   0.0000   0.0000  214.835  101.811  214.835  101.811 0.000000 0.000000 
1 1 1   37   19    2 o  244.907   56.514   1.7071   0.9140   2.8150   1.2655   0.4991   1.3215  301.207   80.270  188.607   79.575 112.6004 113.0287 
1 1 1   37   19    4 o  407.266   71.152   5.5602   1.4843   5.9408   2.0712   5.1584   2.1282  426.069   96.761  388.463  104.344 37.60620 142.3038 
1 1 1   37   19    6 o  589.769   70.767   11.458   2.0548   12.684   2.7960   10.018   3.0299  644.177   84.424  535.361  113.597 108.8161 141.5335 
1 1 1   37   19    8 o  294.882   49.318   1.5081   0.5269   1.1179   0.5573   4.7988   1.6183  197.516   53.536  392.249   82.843 -194.7335 98.63615 
1 1 1   37   19   10 o  210.636   54.203   0.9371   0.7394   0.3971   0.8900   2.1399   1.3283  161.018   66.414  260.254   85.680 -99.23607 108.4063 
1 1 1   37   19   12 o  240.007   51.429   1.7068   0.5851   1.7249   0.6384   1.6119   1.4629  245.520   52.183  234.493   88.637 11.02766 102.8573 
1 1 1   37   19   14 o  157.264   49.656   0.6852   0.4491   0.6852   0.4491   0.0000   0.0000  157.264   49.656  ?   ?       ?      ? 
1 1 1   37   19   16 o  378.422   52.296   3.1409   0.9717   1.2687   1.1190   8.8814   1.9595  210.485   77.933  546.360   69.758 -335.8754 104.5925 
1 1 1   37   19   18 o  179.231   45.611   0.9164   0.5208   1.1134   0.5741   0.0000   1.2384  194.998   54.922  163.464   72.836 31.53462 91.22220 
1 1 1   37   19   20 o  195.162   52.670   1.1167   0.5407   1.1167   0.5407   0.0000   0.0000  195.162   52.670  ?   ?       ?      ? 
1 1 1   37   19   22 o  122.352   44.433   0.3635   0.3611   0.3635   0.3611   0.0000   0.0000  122.352   44.433  ?   ?       ?      ? 
1 1 1   37   19   24 o  230.016   45.005   1.5191   0.5132   1.5191   0.5132   0.0000   0.0000  230.016   45.005  ?   ?       ?      ? 
1 1 1   37   20    1 o  155.920   46.514   0.2149   0.6353   0.0000   0.8396   0.5027   0.9717  140.899   61.477  170.942   69.820 -30.04314 93.02775 
1 1 1   37   20    3 o  198.441   53.440   0.9907   0.7541   0.9470   1.0309   1.0410   1.1061  194.873   74.226  202.010   76.901 -7.136688 106.8798 
1 1 1   37   20    5 o  277.142   61.493   2.3998   1.0735   3.6412   1.4915   1.0654   1.5463  337.912   85.718  216.372   88.193 121.5402 122.9856 
1 1 1   37   20    7 o  245.325   52.343   1.8484   0.6821   1.9292   0.7983   1.6299   1.3127  256.226   61.405  234.424   84.786 21.80225 104.6866 
1 1 1   37   20    9 o  400.060   48.642   3.4618   0.8265   2.5373   0.9132   7.6476   1.9432  293.795   62.385  506.326   74.647 -212.5307 97.28359 
1 1 1   37   20   11 o  254.145   62.310   2.0708   1.0088   2.3854   1.3294   1.6439   1.5489  271.767   85.387  236.523   90.769 35.24483 124.6192 
1 1 1   37   20   13 o  248.560   50.520   1.4972   0.5495   1.2404   0.6029   2.7571   1.3355  206.252   55.594  290.868   84.370 -84.61618 101.0398 
1 1 1   37   20   15 o  332.814   48.833   3.0699   0.8356   3.0699   0.8356   0.0000   0.0000  332.814   48.833  ?   ?       ?      ? 
1 1 1   37   20   17 o  239.026   51.257   1.7212   0.5792   1.7206   0.6318   1.7243   1.4509  243.732   52.001  234.319   88.345 9.413879 102.5133 
1 1 1   37   20   19 o  306.145  102.650   3.5605   1.9043   0.0000   0.0000   3.5605   1.9043  ?   ?   306.145  102.650      ?      ? 
1 1 1   37   20   21 o  160.334   43.455   0.6527   0.4111   0.7346   0.4361   0.0000   1.2309  160.084   48.668  160.583   72.005 -0.4987488 86.90977 
1 1 1   37   20   23 o  167.154   58.368   0.7960   0.6172   0.7960   0.6172   0.0000   0.0000  167.154   58.368  ?   ?       ?      ? 
1 1 1   37   21    0 o  302.243  114.116   3.5480   1.6613   0.0000   0.0000   3.5480   1.6613  302.243  114.116  302.243  114.116 -0.000000 0.000000 
1 1 1   37   21    2 o  157.505   47.075   0.2366   0.6606   0.4900   0.9507   0.0000   0.9187  168.733   69.006  146.277   64.051 22.45587 94.15053 
1 1 1   37   21    4 f  407.455   69.269   5.5156   1.4474   4.3000   1.9559   6.9871   2.1520  351.946  102.110  462.964   93.628 -111.0179 138.5378 
1 1 1   37   21    6 o  333.440   66.091   3.7584   1.1884   4.1228   1.5891   3.2960   1.7901  357.312   87.258  309.568   99.289 47.74426 132.1829 
1 1 1   37   21    8 o  177.653   45.489   0.7730   0.3785   0.7928   0.3956   0.5570   1.3039  167.711   44.960  187.595   79.091 -19.88400 90.97702 
1 1 1   37   21   10 o  188.842   48.567   0.8389   0.4520   0.8012   0.4814   1.1189   1.3117  168.475   51.118  209.209   82.596 -40.73409 97.13423 
1 1 1   37   21   12 o  213.956   51.711   1.1482   0.5099   1.0739   0.5440   1.6844   1.4623  192.614   53.187  235.299   88.697 -42.68489 103.4216 
1 1 1   37   21   14 o  122.876   46.449   0.3277   0.4017   0.3277   0.4017   0.0000   0.0000  122.876   46.449  ?   ?       ?      ? 
1 1 1   37   21   16 o  195.460   50.318   0.9846   0.5179   0.9572   0.5580   1.1549   1.3916  181.544   55.018  209.375   84.266 -27.83069 100.6367 
1 1 1   37   21   18 o  199.255   48.851   1.0990   0.5057   1.0822   0.5504   1.1901   1.2814  191.806   53.692  206.704   81.627 -14.89824 97.70215 
1 1 1   37   21   20 o  313.582   63.404   3.2692   1.0199   2.7886   1.2355   4.2975   1.8072  287.914   80.388  339.251   98.071 -51.33667 126.8074 
1 1 1   37   21   22 o  200.078   51.247   0.9412   0.4992   0.8007   0.5347   1.8953   1.3934  166.121   54.345  234.034   86.901 -67.91273 102.4948 
1 1 1   37   22    1 f  202.943   51.991   0.8042   0.7447   0.0000   0.9486   2.0958   1.2021  147.953   64.927  257.933   81.221 -109.9806 103.9824 
1 1 1   37   22    3 o  237.874   56.423   1.4933   0.9496   2.9664   1.3383   0.0000   1.3475  304.142   83.189  171.605   76.249 132.5363 112.8461 
1 1 1   37   22    5 o  227.162   57.286   1.5250   0.8345   1.4273   1.0889   1.6640   1.2989  219.954   77.480  234.370   84.402 -14.41539 114.5728 
1 1 1   37   22    7 o  288.427   63.385   2.7899   1.0587   3.2233   1.4296   2.2634   1.5756  314.107   86.005  262.747   93.133 51.35971 126.7697 
1 1 1   37   22    9 o  223.877   50.718   0.8970   0.4943   0.6092   0.5294   2.8536   1.3801  153.146   54.015  294.607   85.857 -141.4606 101.4356 
1 1 1   37   22   11 o  245.057   51.293   1.1392   0.5370   0.7702   0.5785   3.4369   1.4436  167.176   56.575  322.938   85.576 -155.7626 102.5864 
1 1 1   37   22   13 o  151.566   42.992   0.4151   0.3583   0.3951   0.3800   0.5757   1.0766  127.138   45.664  175.993   72.856 -48.85559 85.98340 
1 1 1   37   22   15 o  195.814   50.835   1.1153   0.5163   1.1153   0.5163   0.0000   0.0000  195.814   50.835  ?   ?       ?      ? 
1 1 1   37   22   17 o  236.989   51.403   1.7178   0.5989   1.7010   0.6635   1.7914   1.3916  239.832   54.986  234.147   86.866 5.684845 102.8065 
1 1 1   37   22   19 o  218.164   49.748   1.6010   0.6194   1.7981   0.6785   0.6158   1.5171  245.861   55.050  190.466   82.879 55.39482 99.49635 
1 1 1   37   22   21 o  318.570   52.301   2.4267   0.6399   2.0013   0.6893   5.0763   1.7205  259.712   53.409  377.427   89.940 -117.7148 104.6025 
1 1 1   37   23    0 o  533.656  101.055   8.9808   2.4830   0.0000   0.0000   8.9808   2.4830  533.656  101.055  533.656  101.055 -0.000000 0.000000 
1 1 1   37   23    2 o  277.901   54.402   2.3994   0.9566   4.0889   1.3219   0.5416   1.3861  366.001   72.813  189.801   80.850 176.2005 108.8049 
1 1 1   37   23    4 f  242.446   58.284   1.8483   0.8714   1.9948   1.1891   1.6784   1.2806  250.900   80.973  233.993   83.854 16.90678 116.5683 
1 1 1   37   23    6 o  242.194   61.735   1.8433   0.9695   1.9151   1.2112   1.7154   1.6176  245.847   81.860  238.542   92.433 7.304535 123.4701 
1 1 1   37   23    8 o  245.269   58.475   1.7238   0.9021   0.9253   1.1675   2.9068   1.4211  195.342   77.669  295.195   87.434 -99.85269 116.9494 
1 1 1   37   23   10 o  287.883   57.353   2.5321   0.7456   2.4503   0.8200   2.9226   1.7917  289.540   57.114  286.226   99.476 3.314789 114.7061 
1 1 1   37   23   12 o  318.231   64.245   3.3768   1.0796   2.9330   1.3690   4.1068   1.7556  295.833   85.311  340.629   96.082 -44.79562 128.4897 
1 1 1   37   23   14 o  178.170   48.841   0.7627   0.4828   0.7840   0.5117   0.5907   1.4562  166.008   53.070  190.332   82.007 -24.32420 97.68164 
1 1 1   37   23   16 o  181.392   47.518   0.5393   0.4035   0.3838   0.4277   1.8005   1.2181  128.541   48.064  234.243   81.987 -105.7015 95.03674 
1 1 1   37   23   18 o  235.696   52.165   1.2150   0.5339   0.9128   0.5753   3.0878   1.4322  176.282   56.262  295.110   87.859 -118.8281 104.3292 
1 1 1   37   23   20 o  197.568   53.726   1.1681   0.7868   1.4614   0.9802   0.6367   1.3193  212.872   73.600  182.265   78.288 30.60695 107.4521 
1 1 1   37   24    1 o  320.378   63.355   3.4916   1.1534   4.7482   1.6145   2.1820   1.6483  383.559   84.182  257.196   94.703 126.3629 126.7093 
1 1 1   37   24    3 o  206.753   52.297   1.0582   0.7922   2.0620   1.1059   0.0000   1.1354  254.958   77.498  158.547   70.241 96.41154 104.5932 
1 1 1   37   24    5 o  242.595   62.365   1.8792   1.0051   1.9859   1.3184   1.7310   1.5532  248.012   85.381  237.178   90.926 10.83392 124.7295 
1 1 1   37   24    7 o  255.388   63.005   2.0116   1.0041   1.4434   1.2738   2.9442   1.6318  220.611   82.856  290.165   94.940 -69.55400 126.0107 
1 1 1   37   24    9 o  156.985   47.564   0.1948   0.6471   0.0000   0.7888   0.5958   1.1317  135.047   59.236  178.923   74.434 -43.87592 95.12816 
1 1 1   37   24   11 o  244.863   54.271   2.0055   0.6990   2.1495   0.7587   1.1970   1.7979  270.250   56.428  219.477   92.721 50.77299 108.5411 
1 1 1   37   24   13 o  164.137   46.010   0.6354   0.4728   0.7236   0.5046   0.0000   1.3540  160.475   52.807  167.800   75.361 -7.324341 92.02068 
1 1 1   37   24   15 o  235.952   57.515   1.6729   0.6914   1.6729   0.6914   0.0000   0.0000  235.952   57.515  ?   ?       ?      ? 
1 1 1   37   24   17 o  259.674   54.107   1.6000   0.6253   1.1754   0.6850   3.7198   1.5306  196.477   61.222  322.872   89.231 -126.3957 108.2148 
1 1 1   37   24   19 o  151.892   42.524   0.5497   0.3959   0.6197   0.4203   0.0000   1.1782  148.043   48.169  155.742   70.092 -7.699188 85.04776 
1 1 1   37   25    0 o  257.582  108.151   2.7502   1.4398   2.7502   1.4398   0.0000   0.0000  257.582  108.151  257.582  108.151 0.000000 0.000000 
1 1 1   37   25    2 o  185.900   51.971   0.7918   0.7343   0.5325   0.9780   1.1268   1.1118  169.573   69.744  202.227   77.071 -32.65439 103.9424 
1 1 1   37   25    4 f  330.300   66.981   3.8480   1.2039   4.1586   1.6467   3.4914   1.7646  349.192   90.856  311.409   98.443 37.78317 133.9625 
1 1 1   37   25    6 o  190.426   51.764   0.8667   0.7718   1.4985   1.0148   0.0000   1.1886  220.383   74.930  160.469   71.440 59.91380 103.5285 
1 1 1   37   25    8 o  243.352   82.345   1.9327   1.2255   1.9327   1.2255   0.0000   0.0000  243.352   82.345  ?   ?       ?      ? 
1 1 1   37   25   10 o  171.959   45.766   0.7878   0.4641   0.8904   0.4934   0.0000   1.3671  175.282   51.408  168.637   75.732 6.644775 91.53212 
1 1 1   37   25   12 o  260.772   58.392   2.1490   0.7502   2.0880   0.8224   2.4514   1.8315  261.794   62.047  259.749   98.937 2.044769 116.7835 
1 1 1   37   25   14 o  300.601   59.697   2.7189   0.8901   2.7189   0.8901   0.0000   0.0000  300.601   59.697  ?   ?       ?      ? 
1 1 1   37   25   16 o  238.188   57.321   1.7190   0.6934   1.7190   0.6934   0.0000   0.0000  238.188   57.321  ?   ?       ?      ? 
1 1 1   37   25   18 o  288.712   60.831   2.7178   0.8826   2.3225   1.0261   3.8427   1.7310  264.377   73.058  313.047   97.285 -48.66998 121.6624 
1 1 1   37   26    1 f  243.410   62.833   1.9197   1.0179   1.6477   1.3570   2.2697   1.5393  229.257   85.635  257.563   91.971 -28.30579 125.6665 
1 1 1   37   26    3 o  216.359   57.521   1.4002   0.8749   1.6106   1.2025   1.1635   1.2754  226.353   81.240  206.366   81.454 19.98701 115.0424 
1 1 1   37   26    5 o  244.536   59.192   1.9345   0.8997   1.5521   1.2149   2.3990   1.3389  223.085   81.432  265.988   85.927 -42.90387 118.3840 
1 1 1   37   26    7 o  278.989   64.123   2.7875   1.1134   3.5128   1.4783   1.8368   1.6925  320.005   87.390  237.973   93.863 82.03175 128.2466 
1 1 1   37   26    9 o  188.293   71.763   0.9711   0.9640   0.9711   0.9640   0.0000   0.0000  188.293   71.763  ?   ?       ?      ? 
1 1 1   37   26   11 o  269.153   63.752   2.2321   0.8686   2.2321   0.8686   0.0000   0.0000  269.153   63.752  ?   ?       ?      ? 
1 1 1   37   26   13 o  185.077   74.068   0.8800   1.0686   0.8800   1.0686   0.0000   0.0000  185.077   74.068  ?   ?       ?      ? 
1 1 1   37   26   15 f  166.376   44.579   0.7596   0.5049   0.9348   0.5601   0.0000   1.1664  177.293   55.379  155.459   69.873 21.83331 89.15746 
1 1 1   37   27    0 o  401.005  111.870   5.7221   1.9954   5.7221   1.9954   0.0000   0.0000  401.005  111.870  401.005  111.870 0.000000 0.000000 
1 1 1   37   27    2 o  239.908   55.660   1.6855   1.0118   3.3247   1.3277  -0.5856   1.5628  316.409   81.207  163.406   76.141 153.0032 111.3195 
1 1 1   37   27    4 f  187.815   52.542   0.8748   0.7627   0.5412   1.0776   1.2096   1.0796  172.536   72.277  203.094   76.280 -30.55864 105.0833 
1 1 1   37   27    6 o  311.578   98.481   3.6427   1.7660   3.6427   1.7660   0.0000   0.0000  311.578   98.481  ?   ?       ?      ? 
1 1 1   37   27    8 o  155.714   62.686   0.5037   0.7703   0.5037   0.7703   0.0000   0.0000  155.714   62.686  ?   ?       ?      ? 
1 1 1   37   27   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   37   27   12 o  282.071  101.630   3.1999   1.8835   0.0000   0.0000   3.1999   1.8835  ?   ?   282.071  101.630      ?      ? 
1 1 1   37   27   14 o  175.158   49.318   0.7716   0.5653   0.7976   0.6199   0.6432   1.3771  166.708   58.482  183.608   79.428 -16.90024 98.63503 
1 1 1   37   28    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   37   28    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   37   28    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   37   28    7 o  306.654  104.509   3.8172   1.9742   0.0000   0.0000   3.8172   1.9742  ?   ?   306.654  104.509      ?      ? 
1 1 1   37   28    9 o  308.807  103.638   3.8864   1.9411   0.0000   0.0000   3.8864   1.9411  ?   ?   308.807  103.638      ?      ? 
1 1 1   37   28   11 o  206.198   81.499   1.3044   1.2785   0.0000   0.0000   1.3044   1.2785  ?   ?   206.198   81.499      ?      ? 
1 1 1   37   29    0 o  228.619  107.051   2.3797   1.4076   0.0000   0.0000   2.3797   1.4076  228.619  107.051  228.619  107.051 -0.000000 0.000000 
1 1 1   37   29    2 f  245.684   60.511   1.9962   0.9772   1.1522   1.3138   3.0411   1.4619  201.951   81.666  289.417   89.313 -87.46602 121.0214 
1 1 1   37   29    4 o  154.104   45.910   0.3546   0.6319   0.0000   0.9624   0.6233   0.8378  144.282   64.255  163.925   65.591 -19.64307 91.82010 
1 1 1   37   29    6 o  248.102   56.137   1.7859   0.9823   0.0000   1.3415   3.8504   1.4423  163.860   74.170  332.343   84.288 -168.4833 112.2744 
1 1 1   37   29    8 o  226.249   60.327   1.7346   0.9459   1.5733   1.2347   1.9638   1.4716  217.708   81.613  234.790   88.863 -17.08206 120.6541 
1 1 1   37   30    1 o  210.844   55.035   1.2168   0.8902   0.0000   1.2546   2.4509   1.2635  159.145   71.909  262.542   83.333 -103.3969 110.0694 
1 1 1   38    0    0 o  228.963  100.691   2.0113   1.2410   0.0000   0.0000   2.0113   1.2410  228.963  100.691  228.963  100.691 -0.000000 0.000000 
1 1 1   38    0    2 o  268.011   66.573   2.6946   0.9483   1.5341   1.3858   3.7164   1.3004  191.635  102.626  344.387   84.828 0.000000 0.000000 
1 1 1   38    0    4 o  129.979   52.864   0.4909   0.5455   0.9795   0.9366   0.2400   0.6711  156.445   84.179  103.513   63.970 0.000000 0.000000 
1 1 1   38    0    6 f  303.930   67.571   3.0155   0.9223   4.0741   1.5013   2.3738   1.1688  354.027   95.439  253.833   95.681 0.000000 0.000000 
1 1 1   38    0    8 o  192.516   61.339   1.5104   0.6958   1.7970   0.8788   1.0287   1.1393  223.363   82.548  161.669   90.750 -0.000000 0.000000 
1 1 1   38    0   10 o  121.175   65.642   0.5666   0.5731   0.0000   0.0000   0.5666   0.5731  121.175   65.642  121.175   65.642 0.000000 0.000000 
1 1 1   38    0   12 o  168.179   76.822   1.1145   0.7229   1.1145   0.7229   0.0000   0.0000  168.179   76.822  168.179   76.822 -0.000000 0.000000 
1 1 1   38    0   14 o  185.119   78.271   1.3126   0.7532   0.0000   0.0000   1.3126   0.7532  185.119   78.271  185.119   78.271 0.000000 0.000000 
1 1 1   38    0   16 o  233.943   79.964   1.9155   0.8635   0.0000   0.0000   1.9155   0.8635  233.943   79.964  233.943   79.964 0.000000 0.000000 
1 1 1   38    0   18 o  230.262   65.179   2.0664   0.7521   2.1635   0.9282   1.8805   1.2836  250.498   81.450  210.027  101.779 -0.000000 0.000000 
1 1 1   38    0   20 o  160.706   56.745   1.0746   0.6411   0.3968   1.0898   1.4333   0.7928  128.428   80.313  192.984   80.184 0.000000 0.000000 
1 1 1   38    0   22 o  135.052   54.545   0.5120   0.5595   0.2140   0.6664   1.2239   1.0301  100.721   62.904  169.383   89.128 -0.000000 0.000000 
1 1 1   38    0   24 o  374.395  124.899   5.3754   2.1426   0.0000   0.0000   5.3754   2.1426  374.395  124.899  374.395  124.899 -0.000000 0.000000 
1 1 1   38    0   26 o  251.541   88.410   2.3250   1.0371   2.3250   1.0371   0.0000   0.0000  251.541   88.410  251.541   88.410 -0.000000 0.000000 
1 1 1   38    0   28 o  368.458   74.503   5.1568   1.1986   5.5933   1.4632   4.2663   2.0897  431.661   71.938  305.255  130.490 -0.000000 0.000000 
1 1 1   38    0   30 o  174.284   62.291   1.2269   0.6375   1.0245   0.7525   1.7420   1.2001  154.328   77.375  194.240   97.642 -0.000000 0.000000 
1 1 1   38    1    1 o  176.294   41.527   0.8282   0.4408   0.8322   0.6203   0.8240   0.6266  176.511   58.574  176.077   58.883 0.4337769 83.05479 
1 1 1   38    1    3 o  201.908   43.686   1.1409   0.4984   1.2956   0.7091   0.9898   0.7006  213.443   61.353  190.373   62.206 23.06992 87.37140 
1 1 1   38    1    5 o  256.159   43.737   1.8944   0.5845   1.2798   0.8235   2.5181   0.8297  212.839   67.248  299.479   55.942 -86.63947 87.47402 
1 1 1   38    1    7 o  160.671   36.149   0.6305   0.3739   1.1044   0.5240   0.1393   0.5335  198.246   51.093  123.095   51.150 75.15067 72.29720 
1 1 1   38    1    9 o  403.941   45.448   4.6795   0.8820   4.3335   1.4236   4.8951   1.1237  383.418   74.904  424.464   51.491 -41.04593 90.89518 
1 1 1   38    1   11 o  220.792   46.470   1.4004   0.5685   1.5729   0.8168   1.2382   0.7919  232.709   65.498  208.875   65.939 23.83330 92.94066 
1 1 1   38    1   13 o  307.294   49.891   2.7917   0.7717   2.9188   1.1036   2.6701   1.0794  314.559   70.040  300.030   71.070 14.52859 99.78261 
1 1 1   38    1   15 o  358.944   49.038   3.7816   0.8718   3.9392   1.2569   3.6354   1.2103  366.370   69.266  351.519   69.433 14.85117 98.07515 
1 1 1   38    1   17 o  247.134   40.104   1.7597   0.4991   1.6564   0.7088   1.8614   0.7029  239.221   58.186  255.048   55.207 -15.82756 80.20881 
1 1 1   38    1   19 o  183.816   47.768   0.7825   0.5460   0.6198   0.6447   1.1952   1.0269  160.061   59.174  207.571   75.003 -47.51013 95.53542 
1 1 1   38    1   21 o  353.172   38.288   3.4892   0.6939   3.2956   0.9877   3.6780   0.9751  342.446   56.100  363.898   52.122 -21.45203 76.57596 
1 1 1   38    1   23 o  251.398   53.176   1.9187   0.6683   2.0083   1.4152   1.8930   0.7581  249.662   88.291  253.133   59.292 -3.470596 106.3523 
1 1 1   38    1   25 o  194.526   43.379   1.1303   0.4914   1.2995   0.6404   0.8881   0.7662  209.279   57.673  179.774   64.813 29.50499 86.75736 
1 1 1   38    1   27 o  165.167   45.986   0.5793   0.5099   0.4858   0.5875   0.8650   1.0268  145.479   55.886  184.855   73.046 -39.37610 91.97231 
1 1 1   38    1   29 o  214.372   42.508   1.4112   0.4874   1.3870   0.6848   1.4362   0.6939  212.573   60.022  216.170   60.208 -3.596512 85.01556 
1 1 1   38    2    0 o  122.013   65.712   0.5745   0.5712   0.5745   0.5712   0.0000   0.0000  122.013   65.712  122.013   65.712 0.000000 0.000000 
1 1 1   38    2    2 f  271.755   44.993   2.1249   0.6175   2.1795   0.8798   2.0720   0.8669  275.309   63.460  268.201   63.799 7.107361 89.98562 
1 1 1   38    2    4 o  177.903   45.923   0.6243   0.4871   1.2130   0.9843   0.4334   0.5605  211.579   73.721  144.227   54.781 67.35168 91.84615 
1 1 1   38    2    6 o  202.773   42.942   1.1519   0.4839   1.3173   0.7052   1.0048   0.6652  214.938   60.992  190.607   60.465 24.33144 85.88332 
1 1 1   38    2    8 o  191.367   39.514   1.0343   0.4173   0.8512   0.6172   1.1884   0.5664  177.588   58.404  205.145   53.238 -27.55710 79.02700 
1 1 1   38    2   10 o  294.989   69.486   2.5560   1.0365   2.5560   1.0365   0.0000   0.0000  294.989   69.486  ?   ?       ?      ? 
1 1 1   38    2   12 o  236.871   45.512   1.6127   0.5934   2.2476   0.8512   1.0123   0.8277  279.542   60.946  194.200   67.608 85.34210 91.02351 
1 1 1   38    2   14 o  282.027   49.196   2.3054   0.7267   3.2458   1.0875   1.5468   0.9768  334.227   65.631  229.828   73.305 104.3985 98.39247 
1 1 1   38    2   16 f  139.842   53.277   0.4127   0.5312   0.4127   0.5312   0.0000   0.0000  139.842   53.277  ?   ?       ?      ? 
1 1 1   38    2   18 o  261.999   41.158   2.0007   0.5412   1.7125   0.7799   2.2685   0.7517  241.398   62.388  282.599   53.700 -41.20059 82.31592 
1 1 1   38    2   20 o  225.047   41.129   1.4752   0.4803   1.6341   0.6917   1.3273   0.6674  236.902   57.392  213.192   58.927 23.71008 82.25745 
1 1 1   38    2   22 o  210.043   48.915   1.2925   0.5691   1.1566   1.1615   1.3354   0.6528  206.786   78.784  213.300   57.999 -6.513550 97.83045 
1 1 1   38    2   24 o  328.484   45.255   3.1966   0.7262   3.0692   0.9416   3.3835   1.1408  323.843   58.714  333.125   68.883 -9.282806 90.51048 
1 1 1   38    2   26 o  193.440   41.436   1.1047   0.4486   1.2297   0.6479   0.9897   0.6216  202.932   58.740  183.948   58.460 18.98445 82.87273 
1 1 1   38    2   28 o  249.779   56.742   2.1367   0.8160   2.2789   0.9697   1.7917   1.5104  267.450   69.786  232.108   89.490 35.34160 113.4837 
1 1 1   38    2   30 o  229.178   41.329   1.6314   0.4997   2.0274   0.6962   1.2106   0.7177  260.753   53.723  197.603   62.818 63.15039 82.65736 
1 1 1   38    3    1 o  347.659   63.415   3.7367   1.1498   3.1555   1.6103   4.3412   1.6421  317.918   92.770  377.400   86.484 -59.48190 126.8299 
1 1 1   38    3    3 o  238.113   53.915   1.4878   0.6856   1.2565   0.8046   2.1007   1.3099  211.062   66.448  265.163   84.924 -54.10124 107.8304 
1 1 1   38    3    5 o  233.969   52.673   1.4690   0.6434   1.3484   0.7420   1.8346   1.2918  217.271   62.849  250.666   84.545 -33.39436 105.3460 
1 1 1   38    3    7 f  189.054   48.780   0.8866   0.5611   0.9290   0.6407   0.7469   1.1622  184.213   59.437  193.895   77.365 -9.681473 97.56036 
1 1 1   38    3    9 o  220.395   51.376   1.2652   0.6593   0.9283   0.8208   1.8781   1.1071  189.132   67.199  251.659   77.732 -62.52664 102.7522 
1 1 1   38    3   11 o  309.350   74.142   2.8542   1.1638   2.8542   1.1638   0.0000   0.0000  309.350   74.142  ?   ?       ?      ? 
1 1 1   38    3   13 o  289.209   47.115   2.4276   0.6945   3.1829   1.0223   1.7803   0.9464  333.153   61.964  245.265   70.991 87.88831 94.22983 
1 1 1   38    3   15 o  235.694   45.916   1.6442   0.5990   1.0599   0.8721   2.1661   0.8242  197.540   69.360  273.848   60.185 -76.30852 91.83128 
1 1 1   38    3   17 o  195.060   38.606   1.0925   0.4117   1.3516   0.5685   0.8068   0.5970  217.885   51.556  172.234   57.479 45.65057 77.21283 
1 1 1   38    3   19 o  144.125   42.101   0.1618   0.4381   0.7033   0.9134   0.0000   0.4993  177.387   69.255  110.863   47.891 66.52443 84.20148 
1 1 1   38    3   21 o  206.611   46.429   1.2840   0.6430   0.0000   1.1250   1.9072   0.7837  158.985   70.202  254.236   60.782 -95.25119 92.85836 
1 1 1   38    3   23 o  298.457   41.684   2.6292   0.6221   2.0602   0.9005   3.1487   0.8604  260.113   66.943  336.800   49.688 -76.68677 83.36782 
1 1 1   38    3   25 o  360.808   41.425   3.7647   0.7484   4.2856   1.0965   3.3104   1.0239  388.164   54.945  333.451   62.010 54.71295 82.85004 
1 1 1   38    3   27 f  203.659   41.547   1.2439   0.4596   1.1393   0.6370   1.3575   0.6637  195.162   58.707  212.155   58.806 -16.99315 83.09447 
1 1 1   38    3   29 o  192.506   47.152   1.1662   0.6288   1.5806   0.7320   0.0000   1.2280  225.967   61.408  159.044   71.569 66.92337 94.30314 
1 1 1   38    4    0 o   96.540   56.717   0.2964   0.4760   0.2964   0.4760   0.0000   0.0000   96.540   56.717   96.540   56.717 0.000000 0.000000 
1 1 1   38    4    2 o  387.688   51.551   4.2946   0.9405   4.4776   1.6560   4.2075   1.1427  383.502   86.099  391.873   56.719 -8.370483 103.1029 
1 1 1   38    4    4 o  201.301   45.113   1.1720   0.5414   0.5949   0.9487   1.4507   0.6593  176.688   70.089  225.914   56.818 -49.22618 90.22605 
1 1 1   38    4    6 o  237.122   44.248   1.6135   0.5426   1.6520   0.8361   1.5855   0.7132  238.752   65.941  235.492   59.021 3.260483 88.49652 
1 1 1   38    4    8 o  166.474   40.370   0.7108   0.4279   0.9284   0.5805   0.4518   0.6334  182.927   56.252  150.020   57.921 32.90659 80.74097 
1 1 1   38    4   10 o  130.553   36.869   0.2748   0.3656   0.2348   0.5994   0.2986   0.4613  134.205   54.829  126.902   49.307 7.302574 73.73853 
1 1 1   38    4   12 o  274.951   73.463   2.2611   1.0582   2.2611   1.0582   0.0000   0.0000  274.951   73.463  ?   ?       ?      ? 
1 1 1   38    4   14 o  166.215   61.494   0.6606   0.6965   0.6606   0.6965   0.0000   0.0000  166.215   61.494  ?   ?       ?      ? 
1 1 1   38    4   16 o  210.875   56.714   1.2795   0.6283   0.0000   0.0000   1.2795   0.6283  ?   ?   210.875   56.714      ?      ? 
1 1 1   38    4   18 o  179.862   53.330   0.9155   0.5285   0.0000   0.0000   0.9155   0.5285  ?   ?   179.862   53.330      ?      ? 
1 1 1   38    4   20 o  199.906   42.825   1.1635   0.4788   1.2335   0.6504   1.0807   0.7073  205.759   58.638  194.054   62.429 11.70435 85.64976 
1 1 1   38    4   22 o  395.715   40.238   4.5276   0.7770   3.5076   1.1068   5.5189   1.0911  343.544   65.048  447.886   47.384 -104.3425 80.47647 
1 1 1   38    4   24 o  226.435   41.956   1.5343   0.4960   1.3828   0.7213   1.6702   0.6831  214.800   61.916  238.070   56.636 -23.27007 83.91227 
1 1 1   38    4   26 o  213.896   39.965   1.3352   0.4888   2.1166   0.7023   0.6009   0.6808  269.945   52.495  157.848   60.274 112.0969 79.92944 
1 1 1   38    4   28 o  186.461   39.198   0.9763   0.4359   1.5712   0.6386   0.4573   0.5965  229.410   54.879  143.512   55.984 85.89790 78.39555 
1 1 1   38    4   30 o  286.926   53.492   2.1076   0.8409   0.8207   0.9977   5.2652   1.5628  178.253   71.487  395.598   79.594 -217.3448 106.9841 
1 1 1   38    5    1 o  235.936   44.187   1.6013   0.5475   1.3897   0.7753   1.8117   0.7733  220.342   64.392  251.529   60.528 -31.18620 88.37368 
1 1 1   38    5    3 o  307.719   42.916   2.6637   0.6632   3.8088   0.9756   1.6802   0.9042  375.106   50.590  240.333   69.339 134.7730 85.83280 
1 1 1   38    5    5 o  243.946   43.129   1.3754   0.5494   2.9563   0.9867   0.6651   0.6614  322.114   61.829  165.778   60.147 156.3361 86.25835 
1 1 1   38    5    7 o  277.230   45.359   2.2635   0.6729   3.1458   0.9262   1.2772   0.9793  339.749   53.026  214.711   73.606 125.0380 90.71704 
1 1 1   38    5    9 o  197.696   44.616   1.0769   0.5465   0.5095   0.8184   1.5336   0.7342  164.589   65.159  230.804   60.964 -66.21490 89.23144 
1 1 1   38    5   11 o  230.422   47.629   1.5333   0.5965   1.6874   0.9017   1.4133   0.7955  239.748   69.263  221.095   65.398 18.65274 95.25854 
1 1 1   38    5   13 o  219.349   46.244   1.4055   0.5667   1.1640   0.8479   1.6005   0.7618  203.988   68.495  234.711   62.148 -30.72348 92.48754 
1 1 1   38    5   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   38    5   17 o  475.483   62.669   6.4163   1.5320   0.0000   0.0000   6.4163   1.5320  ?   ?   475.483   62.669      ?      ? 
1 1 1   38    5   19 o  309.651   44.428   2.9098   0.6766   3.4009   0.8789   2.1953   1.0602  352.186   48.540  267.116   74.427 85.07001 88.85619 
1 1 1   38    5   21 o  309.529   39.380   2.7511   0.6035   2.0973   0.8450   3.4319   0.8623  265.566   62.865  353.493   47.445 -87.92679 78.75914 
1 1 1   38    5   23 o  283.258   41.086   2.3311   0.5890   2.9777   0.8519   1.7389   0.8153  326.816   50.700  239.699   64.667 87.11650 82.17230 
1 1 1   38    5   25 o  238.270   42.943   1.7306   0.5329   1.4257   0.7846   1.9917   0.7261  216.339   65.171  260.202   55.938 -43.86293 85.88509 
1 1 1   38    5   27 o  187.524   40.834   1.0545   0.4432   0.7781   0.6663   1.2736   0.5934  168.248   60.466  206.800   54.897 -38.55223 81.66885 
1 1 1   38    5   29 o  213.282   42.047   1.4016   0.4840   1.6360   0.6792   1.1597   0.6900  231.975   57.286  194.589   61.563 37.38588 84.09355 
1 1 1   38    6    0 o  511.445   58.044   7.2002   1.4755   0.0000   0.0000   7.2002   1.4755  511.445   58.044  511.445   58.044 -0.000000 0.000000 
1 1 1   38    6    2 o  245.087   46.575   1.7961   0.6193   2.2330   0.8143   1.1967   0.9538  280.506   58.366  209.668   72.596 70.83746 93.14953 
1 1 1   38    6    4 o  299.239   47.314   2.5696   0.7105   2.1151   0.9592   3.1222   1.0577  268.714   69.057  329.764   64.697 -61.04929 94.62888 
1 1 1   38    6    6 o  288.031   50.497   2.2601   0.7510   3.5770   1.2244   1.4659   0.9509  350.125   70.459  225.936   72.354 124.1891 100.9932 
1 1 1   38    6    8 o  265.228   47.571   1.8527   0.6125   2.7381   1.1221   1.4770   0.7310  303.892   72.779  226.564   61.278 77.32796 95.14103 
1 1 1   38    6   10 o  275.672   66.543   2.2234   0.9324   0.0000   0.0000   2.2234   0.9324  ?   ?   275.672   66.543      ?      ? 
1 1 1   38    6   12 o  361.158   65.418   3.7700   1.1700   0.0000   0.0000   3.7700   1.1700  ?   ?   361.158   65.418      ?      ? 
1 1 1   38    6   14 o  249.299   67.812   1.8399   0.8922   0.0000   0.0000   1.8399   0.8922  ?   ?   249.299   67.812      ?      ? 
1 1 1   38    6   16 o  320.397   71.336   3.0751   1.1449   3.0751   1.1449   0.0000   0.0000  320.397   71.336  ?   ?       ?      ? 
1 1 1   38    6   18 o  219.338   53.205   1.3997   0.7067   1.4347   0.8730   1.3331   1.2039  220.247   69.191  218.429   80.843 1.818283 106.4098 
1 1 1   38    6   20 o  186.978   39.984   1.0033   0.4171   1.0170   0.5898   0.9897   0.5899  188.112   56.466  185.844   56.627 2.268661 79.96898 
1 1 1   38    6   22 f  221.098   47.218   1.6302   0.6160   0.3403   1.3279   1.9839   0.6954  179.876   77.905  262.320   53.377 -82.44460 94.43623 
1 1 1   38    6   24 o  177.277   37.937   0.8853   0.3908   1.2326   0.5598   0.5553   0.5458  205.484   52.731  149.071   54.556 56.41333 75.87422 
1 1 1   38    6   26 o  194.776   41.410   1.1111   0.4556   1.4261   0.6670   0.8355   0.6239  217.813   58.373  171.739   58.752 46.07431 82.82092 
1 1 1   38    6   28 o  229.608   43.097   1.5857   0.5311   2.1908   0.7923   1.0920   0.7158  268.995   58.923  190.221   62.908 78.77423 86.19385 
1 1 1   38    7    1 o  220.124   52.175   1.3592   0.6921   1.3839   1.0474   1.3401   0.9221  222.438   76.123  217.810   71.374 4.627792 104.3500 
1 1 1   38    7    3 o  189.760   44.834   0.9674   0.5599   0.2257   0.9130   1.4144   0.7089  157.265   66.237  222.256   60.440 -64.99042 89.66781 
1 1 1   38    7    5 o  308.971   51.527   2.7773   0.7422   2.7549   1.4612   2.7851   0.8616  298.080   88.742  319.863   52.391 -21.78354 103.0532 
1 1 1   38    7    7 o  376.508   48.931   3.7161   0.8448   5.0407   1.6314   3.2307   0.9875  410.091   80.249  342.926   56.012 67.16513 97.86285 
1 1 1   38    7    9 o  193.092   53.413   1.0527   0.5481   0.0000   0.0000   1.0527   0.5481  ?   ?   193.092   53.413      ?      ? 
1 1 1   38    7   11 o  154.641   53.010   0.6176   0.5080   0.0000   0.0000   0.6176   0.5080  ?   ?   154.641   53.010      ?      ? 
1 1 1   38    7   13 o  201.109   44.797   1.1365   0.5129   1.2665   0.7872   1.0407   0.6761  209.909   65.668  192.310   60.950 17.59842 89.59409 
1 1 1   38    7   15 o  246.590   47.169   1.7946   0.6125   1.9641   0.8930   1.6440   0.8417  257.310   66.886  235.870   66.528 21.44028 94.33845 
1 1 1   38    7   17 o  292.415   46.103   2.4195   0.6504   2.9387   1.1129   2.1501   0.8016  312.526   70.889  272.303   58.963 40.22235 92.20594 
1 1 1   38    7   19 o  350.225   54.861   3.5700   0.8620   3.3736   0.9897   4.1873   1.7546  347.121   55.456  353.330   94.677 -6.208466 109.7223 
1 1 1   38    7   21 o  197.031   43.915   1.1386   0.4874   1.0107   0.8395   1.2037   0.5986  190.821   67.945  203.241   55.656 -12.42018 87.82984 
1 1 1   38    7   23 o  307.673   42.869   2.7994   0.6540   2.8283   0.9285   2.7708   0.9213  309.338   60.548  306.009   60.702 3.329224 85.73736 
1 1 1   38    7   25 o  225.320   43.278   1.5284   0.5141   1.6904   0.7556   1.3888   0.7014  236.107   61.597  214.534   60.809 21.57265 86.55575 
1 1 1   38    7   27 o  158.782   40.000   0.6455   0.4153   0.9350   0.6316   0.4250   0.5513  178.636   59.095  138.927   53.925 39.70905 80.00033 
1 1 1   38    7   29 o  280.270   52.779   2.6586   0.7298   2.4746   1.4276   2.7237   0.8492  259.553   88.869  300.987   56.964 -41.43375 105.5584 
1 1 1   38    8    0 o  113.617   63.706   0.4759   0.5606   0.4759   0.5606   0.0000   0.0000  113.617   63.706  113.617   63.706 0.000000 0.000000 
1 1 1   38    8    2 o  195.301   40.428   1.0198   0.4510   1.5399   0.6719   0.5935   0.6083  232.544   56.710  158.059   57.633 74.48492 80.85512 
1 1 1   38    8    4 o  407.983   39.944   4.5857   0.8294   4.4777   1.2536   4.6698   1.1062  401.658   60.707  414.306   51.931 -12.64819 79.88813 
1 1 1   38    8    6 o  213.509   42.927   1.2926   0.4892   1.3943   0.7530   1.2183   0.6434  220.135   63.207  206.884   58.101 13.25133 85.85385 
1 1 1   38    8    8 f  313.620   42.225   2.9402   0.6431   1.9709   0.9830   3.6655   0.8503  257.880   71.600  369.361   44.778 -111.4804 84.44945 
1 1 1   38    8   10 o  163.701   39.056   0.7337   0.3899   0.2817   0.7618   0.8941   0.4539  148.766   61.411  178.636   48.272 -29.87007 78.11216 
1 1 1   38    8   12 o  212.794   45.455   1.3573   0.5576   0.8022   0.9441   1.6547   0.6910  185.460   70.939  240.129   56.855 -54.66942 90.91093 
1 1 1   38    8   14 o  128.318   36.740   0.2518   0.3113   0.2594   0.7209   0.2501   0.3451  144.151   59.642  112.486   42.921 31.66578 73.48075 
1 1 1   38    8   16 o  179.320   41.871   0.8658   0.4374   1.0116   0.7164   0.7790   0.5524  189.974   62.941  168.666   55.238 21.30847 83.74260 
1 1 1   38    8   18 o  252.493   41.782   1.8534   0.5348   2.1893   0.7783   1.5528   0.7362  275.356   56.860  229.630   61.237 45.72583 83.56448 
1 1 1   38    8   20 o  194.446   45.152   0.7218   0.4379   0.4502   0.4842   1.9416   1.0261  138.619   51.277  250.272   74.334 -111.6534 90.30450 
1 1 1   38    8   22 o  236.751   43.749   1.4963   0.5506   2.6167   0.9164   0.8636   0.6887  296.674   62.077  176.827   61.662 119.8472 87.49744 
1 1 1   38    8   24 o  181.323   38.794   0.9052   0.4098   1.3706   0.6124   0.5276   0.5516  215.547   55.060  147.099   54.664 68.44841 77.58738 
1 1 1   38    8   26 f  232.731   38.157   1.5098   0.5065   2.7197   0.7600   0.5428   0.6794  311.799   47.408  153.663   59.802 158.1361 76.31431 
1 1 1   38    8   28 o  190.223   40.812   1.0263   0.4537   1.5912   0.6876   0.5910   0.6037  228.274   58.364  152.172   57.062 76.10187 81.62363 
1 1 1   38    9    1 o  270.344   43.090   2.0740   0.5861   2.5535   0.8705   1.6763   0.7928  299.974   58.543  240.714   63.243 59.25986 86.17931 
1 1 1   38    9    3 o  257.107   43.721   1.9274   0.5682   1.7375   0.8738   2.0665   0.7480  243.928   67.423  270.285   55.681 -26.35664 87.44250 
1 1 1   38    9    5 o  202.939   39.966   1.1168   0.4434   1.6192   0.6746   0.7346   0.5884  238.474   55.979  167.403   57.056 71.07153 79.93119 
1 1 1   38    9    7 o  388.652   44.607   4.2734   0.8617   3.5440   1.1926   5.0703   1.2466  348.422   69.016  428.883   56.534 -80.46057 89.21480 
1 1 1   38    9    9 o  273.826   55.207   2.2029   0.8373   1.5009   1.1253   3.0735   1.2532  228.840   78.877  318.812   77.265 -89.97223 110.4147 
1 1 1   38    9   11 o  304.553   48.542   2.3604   0.7829   4.5808   1.3223   1.1621   0.9715  402.785   63.856  206.320   73.129 196.4659 97.08470 
1 1 1   38    9   13 o  242.787   49.583   1.6079   0.6483   2.4599   1.0775   1.1245   0.8116  285.484   73.098  200.089   67.013 85.39574 99.16683 
1 1 1   38    9   15 o  284.711   51.197   2.2827   0.7507   3.4514   1.2289   1.5869   0.9483  338.637   72.754  230.784   72.050 107.8532 102.3935 
1 1 1   38    9   17 f  172.702   41.886   0.7426   0.4225   1.0419   0.7610   0.6092   0.5080  192.426   64.891  152.978   52.980 39.44798 83.77148 
1 1 1   38    9   19 o  224.076   40.677   1.4846   0.4829   1.0650   0.6957   1.8746   0.6708  192.434   61.918  255.717   52.770 -63.28403 81.35479 
1 1 1   38    9   21 o  341.709   57.886   4.0157   0.9421   4.3340   1.0829   3.0247   1.9107  392.815   53.619  290.602  102.607 102.2134 115.7725 
1 1 1   38    9   23 o  242.915   45.921   1.8707   0.5971   1.3532   0.9547   2.2032   0.7652  211.595   72.667  274.235   56.164 -62.63979 91.84188 
1 1 1   38    9   25 f  291.543   44.170   2.5626   0.6440   3.1422   0.9420   2.0538   0.8825  325.872   58.368  257.214   66.312 68.65891 88.34093 
1 1 1   38    9   27 o  188.447   40.507   1.0191   0.4379   1.4518   0.6615   0.6817   0.5842  218.655   57.921  158.239   56.642 60.41618 81.01368 
1 1 1   38   10    0 o  157.171   68.677   0.9460   0.5775   0.9460   0.5775   0.0000   0.0000  157.171   68.677  157.171   68.677 0.000000 0.000000 
1 1 1   38   10    2 o  277.607   44.664   2.2106   0.6205   2.4214   0.9322   2.0430   0.8314  289.110   64.373  266.103   61.932 23.00696 89.32773 
1 1 1   38   10    4 o  193.064   41.521   0.9743   0.4471   1.4290   0.7230   0.6927   0.5689  222.779   61.231  163.350   56.097 59.42848 83.04294 
1 1 1   38   10    6 o  194.650   38.959   0.9787   0.4166   1.5790   0.6668   0.5944   0.5335  235.262   55.943  154.038   54.238 81.22374 77.91876 
1 1 1   38   10    8 o  467.747   37.526   5.9087   0.8959   6.8993   1.3618   5.1528   1.1896  501.984   52.765  433.510   53.374 68.47357 75.05280 
1 1 1   38   10   10 o  395.152   45.301   4.3243   0.8417   4.8587   1.4946   4.0761   1.0186  404.189   74.673  386.116   51.311 18.07248 90.60280 
1 1 1   38   10   12 o  197.221   46.345   1.1010   0.5304   0.8742   0.9910   1.1920   0.6279  190.639   72.737  203.802   57.452 -13.16272 92.69018 
1 1 1   38   10   14 o  166.996   54.477   0.7622   0.5374   0.0000   0.0000   0.7622   0.5374  ?   ?   166.996   54.477      ?      ? 
1 1 1   38   10   16 o  180.233   42.350   0.8970   0.4352   0.8105   0.8199   0.9310   0.5135  179.442   66.655  181.023   52.260 -1.580750 84.70002 
1 1 1   38   10   18 o  152.509   36.838   0.6137   0.3439   0.6172   0.5326   0.6112   0.4503  154.311   54.203  150.708   49.901 3.602966 73.67556 
1 1 1   38   10   20 o  127.582   35.339   0.2943   0.3212   0.4099   0.5574   0.2368   0.3931  140.080   54.265  115.084   45.284 24.99580 70.67738 
1 1 1   38   10   22 o  191.857   39.691   1.0413   0.4270   1.4481   0.6369   0.7093   0.5755  221.735   55.890  161.979   56.372 59.75627 79.38209 
1 1 1   38   10   24 o  251.047   43.572   1.7783   0.5657   2.7955   0.9139   1.1465   0.7202  306.115   60.216  195.980   62.994 110.1350 87.14490 
1 1 1   38   10   26 o  147.509   40.429   0.5187   0.4179   0.0000   0.9050   0.6593   0.4712  141.513   62.702  153.505   51.054 -11.99142 80.85761 
1 1 1   38   10   28 o  249.335   86.291   2.2340   1.3475   2.2340   1.3475   0.0000   0.0000  249.335   86.291  ?   ?       ?      ? 
1 1 1   38   11    1 o  161.846   40.372   0.6815   0.4295   0.9073   0.4956   0.0000   0.8610  180.008   51.145  143.684   62.479 36.32468 80.74313 
1 1 1   38   11    3 o  389.740   58.337   4.6409   1.0554   4.7428   1.2543   4.3937   1.9531  413.468   59.004  366.013  100.654 47.45444 116.6734 
1 1 1   38   11    5 f  383.578   58.177   4.1455   1.0264   3.6541   1.2078   5.4227   1.9472  353.663   68.905  413.493   93.756 -59.83051 116.3537 
1 1 1   38   11    7 o  301.971   56.020   2.4348   0.7865   2.0405   0.9030   3.6747   1.6012  263.439   66.626  340.503   90.076 -77.06415 112.0390 
1 1 1   38   11    9 o  467.851   60.305   6.4266   1.3980   2.9505   1.8131   11.524   2.1955  300.076  100.165  635.626   67.184 -335.5498 120.6093 
1 1 1   38   11   11 o  177.876   40.541   0.9015   0.4492   0.3074   0.7802   1.1960   0.5493  150.762   62.183  204.991   52.033 -54.22835 81.08170 
1 1 1   38   11   13 o  220.525   47.380   1.4924   0.6013   0.8773   1.0585   1.7855   0.7306  192.757   74.749  248.292   58.241 -55.53517 94.75982 
1 1 1   38   11   15 o  130.324   38.020   0.2215   0.3406   0.2848   0.7780   0.2065   0.3788  148.800   61.795  111.847   44.312 36.95303 76.04069 
1 1 1   38   11   17 o  153.442   38.706   0.6132   0.3759   0.2770   0.7382   0.7308   0.4368  145.242   60.244  161.642   48.612 -16.39975 77.41109 
1 1 1   38   11   19 o  217.900   46.178   1.4638   0.5501   1.1045   1.0120   1.6144   0.6553  200.270   74.121  235.531   55.099 -35.26100 92.35670 
1 1 1   38   11   21 o  203.702   40.150   1.2129   0.4356   1.3465   0.6445   1.1005   0.5911  213.452   57.459  193.953   56.095 19.49875 80.30035 
1 1 1   38   11   23 o  313.792   53.910   2.5624   0.7791   1.8520   0.8926   4.8369   1.5971  243.839   68.413  383.745   83.336 -139.9060 107.8204 
1 1 1   38   11   25 o  250.307   89.774   2.1860   1.4681   0.0000   0.0000   2.1860   1.4681  ?   ?   250.307   89.774      ?      ? 
1 1 1   38   11   27 o  149.944   53.393   0.6073   0.5184   0.6073   0.5184   0.0000   0.0000  149.944   53.393  ?   ?       ?      ? 
1 1 1   38   12    0 o  123.319   75.208   0.4256   0.9001   0.0000   0.0000   0.4256   0.9001  123.319   75.208  123.319   75.208 -0.000000 0.000000 
1 1 1   38   12    2 o  177.871   43.124   0.8138   0.4269   0.8173   0.8935   0.8128   0.4859  184.618   69.384  171.125   51.230 13.49294 86.24724 
1 1 1   38   12    4 o  390.424   39.717   4.1720   0.7871   4.4386   1.2274   3.9858   1.0258  399.121   59.815  381.727   52.267 17.39352 79.43351 
1 1 1   38   12    6 o  163.416   38.419   0.6843   0.3645   0.8446   0.6151   0.5976   0.4525  176.258   58.318  150.575   50.031 25.68333 76.83801 
1 1 1   38   12    8 o  200.514   39.638   1.0772   0.4196   1.5164   0.6859   0.8146   0.5304  229.317   58.105  171.710   53.931 57.60735 79.27666 
1 1 1   38   12   10 o  224.263   45.147   1.5545   0.5497   0.9756   1.0023   1.8035   0.6573  196.257   73.539  252.268   52.395 -56.01073 90.29485 
1 1 1   38   12   12 o  397.107   87.328   4.9843   1.7344   4.9843   1.7344   0.0000   0.0000  397.107   87.328  ?   ?       ?      ? 
1 1 1   38   12   14 o  254.721   48.356   1.7363   0.6553   2.9811   1.0976   1.0467   0.8170  315.365   69.562  194.076   67.188 121.2891 96.71174 
1 1 1   38   12   16 o  276.576   50.775   2.0620   0.6762   3.1953   1.2833   1.6264   0.7956  319.469   78.655  233.684   64.232 85.78433 101.5495 
1 1 1   38   12   18 o  228.492   46.426   1.2564   0.5535   2.5562   1.0453   0.7499   0.6525  288.616   70.944  168.369   59.905 120.2468 92.85293 
1 1 1   38   12   20 o  209.568   65.989   1.3152   0.7935   1.3152   0.7935   0.0000   0.0000  209.568   65.989  ?   ?       ?      ? 
1 1 1   38   12   22 o  222.873   57.640   1.5014   0.8278   1.4380   1.0090   1.6320   1.4477  216.375   74.682  229.371   87.819 -12.99586 115.2804 
1 1 1   38   12   24 o  166.769   68.244   0.5635   0.9305   0.5635   0.9305   0.0000   0.0000  166.769   68.244  ?   ?       ?      ? 
1 1 1   38   12   26 o  283.715   76.075   2.6756   1.1324   2.6756   1.1324   0.0000   0.0000  283.715   76.075  ?   ?       ?      ? 
1 1 1   38   13    1 o  405.573   39.566   4.6968   0.7733   3.4599   1.1166   5.8371   1.0721  345.592   65.234  465.554   44.791 -119.9616 79.13123 
1 1 1   38   13    3 o  186.494   45.771   0.7923   0.4347   1.2382   1.0461   0.6992   0.4779  212.471   75.827  160.517   51.285 51.95364 91.54107 
1 1 1   38   13    5 o  246.249   43.059   1.7440   0.5338   1.8377   0.8470   1.6822   0.6876  250.167   65.191  242.330   56.270 7.836868 86.11733 
1 1 1   38   13    7 o  235.058   45.018   1.5965   0.5501   1.7442   0.8641   1.4958   0.7134  243.009   66.998  227.107   60.147 15.90269 90.03506 
1 1 1   38   13    9 o  154.607   39.825   0.5281   0.3477   0.7008   0.7791   0.4851   0.3885  172.059   64.766  137.155   46.363 34.90352 79.65025 
1 1 1   38   13   11 o  228.827   45.223   1.6997   0.5837   0.6568   1.1067   2.1015   0.6870  184.517   74.836  273.138   50.793 -88.62166 90.44508 
1 1 1   38   13   13 o  156.942   65.515   0.3162   0.8810   0.3162   0.8810   0.0000   0.0000  156.942   65.515  ?   ?       ?      ? 
1 1 1   38   13   15 o  208.921   76.752   1.2147   1.0818   1.2147   1.0818   0.0000   0.0000  208.921   76.752  ?   ?       ?      ? 
1 1 1   38   13   17 o  201.390   49.867   1.1091   0.7194   1.7776   0.9107   0.0000   1.1730  241.369   69.575  161.411   71.458 79.95807 99.73378 
1 1 1   38   13   19 o  278.800   57.874   2.4387   0.8023   2.3738   0.9155   2.6535   1.6655  280.601   64.771  276.998   95.929 3.602966 115.7487 
1 1 1   38   13   21 o  231.555   60.525   1.6057   0.9387   1.2282   1.2021   2.1957   1.5028  208.174   79.948  254.937   90.893 -46.76268 121.0507 
1 1 1   38   13   23 o  275.274   87.396   2.6291   1.3896   2.6291   1.3896   0.0000   0.0000  275.274   87.396  ?   ?       ?      ? 
1 1 1   38   13   25 o  346.413   49.479   3.0123   0.6468   2.6597   0.6985   5.1335   1.7134  309.358   43.919  383.468   88.678 -74.10974 98.95838 
1 1 1   38   14    0 o  253.000   64.646   1.9978   0.7269   1.9978   0.7269   0.0000   0.0000  253.000   64.646  253.000   64.646 0.000000 0.000000 
1 1 1   38   14    2 o  198.897   38.470   1.0934   0.4146   1.5183   0.6187   0.7472   0.5585  231.003   53.197  166.791   55.587 64.21169 76.94025 
1 1 1   38   14    4 o  205.941   49.636   0.9312   0.5700   0.6096   0.6570   1.9102   1.1462  160.747   59.674  251.136   79.335 -90.38905 99.27267 
1 1 1   38   14    6 o  211.616   51.339   1.2155   0.6418   1.0948   0.7806   1.4675   1.1278  197.522   65.714  225.710   78.895 -28.18848 102.6784 
1 1 1   38   14    8 o  206.495   52.529   1.0584   0.6311   0.9256   0.7233   1.4815   1.2915  184.385   63.256  228.606   83.881 -44.22134 105.0586 
1 1 1   38   14   10 o  201.508   52.113   1.0205   0.7003   0.7045   0.9074   1.4859   1.1014  177.625   69.116  225.391   78.014 -47.76614 104.2264 
1 1 1   38   14   12 o  272.435   79.878   2.3228   1.1913   2.3228   1.1913   0.0000   0.0000  272.435   79.878  ?   ?       ?      ? 
1 1 1   38   14   14 o  390.067   82.867   4.7972   1.6106   4.7972   1.6106   0.0000   0.0000  390.067   82.867  ?   ?       ?      ? 
1 1 1   38   14   16 f  244.903   57.381   1.7646   0.8426   1.2364   1.0848   2.5681   1.3380  209.112   76.853  280.694   85.228 -71.58192 114.7611 
1 1 1   38   14   18 o  383.247   64.393   4.7675   1.1446   4.5673   1.3365   5.3188   2.2174  388.536   69.455  377.958  108.452 10.57730 128.7859 
1 1 1   38   14   20 o  156.780   43.589   0.3521   0.3613   0.2482   0.3855   1.1021   1.0356  114.910   44.957  198.650   74.691 -83.73982 87.17734 
1 1 1   38   14   22 o  232.375   46.781   1.5456   0.5395   1.5456   0.5395   0.0000   0.0000  232.375   46.781  ?   ?       ?      ? 
1 1 1   38   14   24 o  264.243   44.690   1.2701   0.4575   0.8734   0.4891   4.0447   1.2934  172.843   51.317  355.644   73.180 -182.8012 89.37984 
1 1 1   38   14   26 o  231.497   54.785   1.7497   0.6885   1.7469   0.7651   1.7616   1.5778  236.308   62.148  226.686   90.239 9.621567 109.5697 
1 1 1   38   15    1 o  201.982   41.665   1.3021   0.4217   1.4646   0.4473   0.0000   1.2661  234.664   37.073  169.299   74.629 65.36557 83.33034 
1 1 1   38   15    3 o  271.336   45.953   1.5431   0.4837   1.2511   0.5209   3.3729   1.3040  210.406   49.057  332.266   77.717 -121.8602 91.90543 
1 1 1   38   15    5 o  305.732   48.917   2.1645   0.5886   1.8430   0.6392   3.9547   1.5084  255.751   50.406  355.713   83.848 -99.96162 97.83322 
1 1 1   38   15    7 o  189.150   48.928   0.8978   0.5758   0.8555   0.6779   1.0075   1.0908  178.056   61.230  200.245   76.334 -22.18819 97.85660 
1 1 1   38   15    9 f  216.512   54.035   1.3474   0.5996   1.3474   0.5996   0.0000   0.0000  216.512   54.035  ?   ?       ?      ? 
1 1 1   38   15   11 o  200.525   53.599   1.1561   0.5632   1.1561   0.5632   0.0000   0.0000  200.525   53.599  ?   ?       ?      ? 
1 1 1   38   15   13 o  174.770   52.465   0.8654   0.5092   0.8654   0.5092   0.0000   0.0000  174.770   52.465  ?   ?       ?      ? 
1 1 1   38   15   15 o  102.146   41.118   0.1497   0.3314   0.1497   0.3314   0.0000   0.0000  102.146   41.118  ?   ?       ?      ? 
1 1 1   38   15   17 o  340.532  104.948   4.2670   2.0192   0.0000   0.0000   4.2670   2.0192  ?   ?   340.532  104.948      ?      ? 
1 1 1   38   15   19 o  162.115   53.104   0.7346   0.5105   0.7346   0.5105   0.0000   0.0000  162.115   53.104  ?   ?       ?      ? 
1 1 1   38   15   21 o  222.261   47.267   1.5562   0.5058   1.6264   0.5471   1.1422   1.3276  238.868   46.216  205.655   82.467 33.21288 94.53472 
1 1 1   38   15   23 o  202.315   44.543   1.3188   0.4589   1.4285   0.4920   0.5847   1.2726  223.742   44.335  180.887   77.271 42.85410 89.08633 
1 1 1   38   15   25 o  231.459   49.375   1.3844   0.4748   1.2394   0.5083   2.3791   1.3309  205.251   48.867  257.667   85.811 -52.41600 98.74963 
1 1 1   38   16    0 o  236.773  107.178   2.3399   1.4056   0.0000   0.0000   2.3399   1.4056  236.773  107.178  236.773  107.178 -0.000000 0.000000 
1 1 1   38   16    2 o  291.802   86.313   2.7059   1.3856   2.7059   1.3856   0.0000   0.0000  291.802   86.313  ?   ?       ?      ? 
1 1 1   38   16    4 o  199.993   46.449   1.1261   0.4684   1.1261   0.4684   0.0000   0.0000  199.993   46.449  ?   ?       ?      ? 
1 1 1   38   16    6 o  166.947   46.543   0.7817   0.4145   0.7817   0.4145   0.0000   0.0000  166.947   46.543  ?   ?       ?      ? 
1 1 1   38   16    8 o  249.433   65.630   1.8524   0.8530   1.8524   0.8530   0.0000   0.0000  249.433   65.630  ?   ?       ?      ? 
1 1 1   38   16   10 f  240.157   53.429   1.6559   0.6427   1.6559   0.6427   0.0000   0.0000  240.157   53.429  ?   ?       ?      ? 
1 1 1   38   16   12 o  174.031   56.383   0.8475   0.5761   0.8475   0.5761   0.0000   0.0000  174.031   56.383  ?   ?       ?      ? 
1 1 1   38   16   14 o  194.467   59.683   1.0998   0.6538   1.0998   0.6538   0.0000   0.0000  194.467   59.683  ?   ?       ?      ? 
1 1 1   38   16   16 o  179.605   58.049   0.9212   0.6110   0.9212   0.6110   0.0000   0.0000  179.605   58.049  ?   ?       ?      ? 
1 1 1   38   16   18 o  203.881   53.243   1.2159   0.5642   1.2159   0.5642   0.0000   0.0000  203.881   53.243  ?   ?       ?      ? 
1 1 1   38   16   20 o  252.771   52.334   2.0833   0.6377   2.1538   0.6967   1.7191   1.5833  272.842   51.555  232.700   91.091 40.14267 104.6681 
1 1 1   38   16   22 o  204.065   45.964   1.3367   0.4893   1.4510   0.5255   0.5910   1.3422  224.299   47.072  183.832   78.963 40.46747 91.92879 
1 1 1   38   16   24 o  142.951   38.952   0.4968   0.3235   0.5572   0.3426   0.0000   0.9830  140.560   43.216  145.342   64.817 -4.782043 77.90313 
1 1 1   38   17    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   38   17    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   38   17    5 o  144.846   44.025   0.5750   0.3569   0.5750   0.3569   0.0000   0.0000  144.846   44.025  ?   ?       ?      ? 
1 1 1   38   17    7 o  200.277   46.289   1.2341   0.4958   1.3930   0.5267   0.0000   1.4681  222.100   47.563  178.454   79.426 43.64584 92.57778 
1 1 1   38   17    9 o  531.354  101.789   9.5289   2.6794   0.0000   0.0000   9.5289   2.6794  ?   ?   531.354  101.789      ?      ? 
1 1 1   38   17   11 o  200.097   52.446   0.9004   0.5803   0.7524   0.6393   1.5933   1.3829  168.346   59.360  231.848   86.479 -63.50154 104.8916 
1 1 1   38   17   13 o  236.887   55.605   1.6362   0.6656   1.6362   0.6656   0.0000   0.0000  236.887   55.605  ?   ?       ?      ? 
1 1 1   38   17   15 o  157.971   51.928   0.6881   0.4880   0.6881   0.4880   0.0000   0.0000  157.971   51.928  ?   ?       ?      ? 
1 1 1   38   17   17 o  209.624   45.659   1.4792   0.5754   1.8065   0.6359   0.0000   1.3518  250.234   51.154  169.014   75.645 81.21970 91.31810 
1 1 1   38   17   19 o  211.743   52.096   1.1681   0.5344   1.0821   0.5742   1.7235   1.4595  191.503   55.260  231.983   88.330 -40.47914 104.1917 
1 1 1   38   17   21 o  211.717   51.338   1.1908   0.5260   1.0933   0.5679   1.7803   1.3964  191.747   54.840  231.686   86.803 -39.93921 102.6757 
1 1 1   38   17   23 o  241.165   49.112   1.9567   0.5490   2.0474   0.5817   1.2178   1.6608  272.073   41.583  210.255   88.987 61.81807 98.22353 
1 1 1   38   18    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   38   18    2 o  146.410   64.116   0.0000   0.9207   0.0000   0.0000   0.0000   0.9207  ?   ?   146.410   64.116      ?      ? 
1 1 1   38   18    4 o  383.377  106.847   5.2033   2.1847   0.0000   0.0000   5.2033   2.1847  ?   ?   383.377  106.847      ?      ? 
1 1 1   38   18    6 o  233.584   51.906   1.1458   0.4983   0.9425   0.5307   2.6623   1.4494  181.809   53.312  285.359   89.077 -103.5494 103.8116 
1 1 1   38   18    8 o  245.085   53.377   1.4229   0.5609   1.2169   0.6045   2.6994   1.5044  204.709   55.872  285.461   90.965 -80.75250 106.7539 
1 1 1   38   18   10 o  257.426   62.410   2.0718   0.9998   1.5813   1.3292   2.7107   1.5171  230.147   84.992  284.704   91.414 -54.55763 124.8208 
1 1 1   38   18   12 o  329.906   57.020   2.4901   0.7295   2.0215   0.7853   5.4437   1.9716  261.638   59.695  398.174   97.167 -136.5360 114.0397 
1 1 1   38   18   14 o  150.579   46.405   0.6314   0.3948   0.6314   0.3948   0.0000   0.0000  150.579   46.405  ?   ?       ?      ? 
1 1 1   38   18   16 o  205.979   54.226   1.2462   0.5821   1.2462   0.5821   0.0000   0.0000  205.979   54.226  ?   ?       ?      ? 
1 1 1   38   18   18 f  251.550   57.708   2.1416   0.8609   2.3633   1.0667   1.7275   1.4581  271.073   74.321  232.026   88.302 39.04741 115.4160 
1 1 1   38   18   20 f  315.502   53.977   2.5138   0.6897   2.0849   0.7526   4.7619   1.7231  264.096   57.094  366.908   91.621 -102.8114 107.9544 
1 1 1   38   18   22 o  160.915   40.191   0.7475   0.3621   0.8429   0.3845   0.0000   1.0764  170.932   43.613  150.898   67.522 20.03485 80.38245 
1 1 1   38   19    1 o  129.625   40.018   0.0000   0.4850   0.0000   0.6034   0.0000   0.8151  120.824   52.422  138.427   60.480 -17.60355 80.03667 
1 1 1   38   19    3 o  263.828   62.451   2.2200   1.0270   2.8569   1.4407   1.5620   1.4644  295.347   88.164  232.309   88.473 63.03773 124.9011 
1 1 1   38   19    5 o  168.530   68.210   0.5375   0.9174   0.0000   0.0000   0.5375   0.9174  ?   ?   168.530   68.210      ?      ? 
1 1 1   38   19    7 o  240.079   51.681   1.2852   0.5213   1.0587   0.5603   2.7442   1.4219  191.500   54.371  288.657   87.907 -97.15697 103.3625 
1 1 1   38   19    9 o  290.812   55.077   2.3231   0.6767   2.1280   0.7400   3.3191   1.6720  271.327   54.935  310.298   95.477 -38.97055 110.1532 
1 1 1   38   19   11 o  243.697   56.277   1.7280   0.7220   1.5797   0.8236   2.2205   1.5006  228.325   66.264  259.068   90.980 -30.74347 112.5535 
1 1 1   38   19   13 o  313.142   44.997   1.5832   0.6019   0.7990   0.6516   6.1427   1.5711  170.964   59.956  455.320   67.114 -284.3569 89.99493 
1 1 1   38   19   15 o  164.850   50.457   0.7742   0.4677   0.7742   0.4677   0.0000   0.0000  164.850   50.457  ?   ?       ?      ? 
1 1 1   38   19   17 o  353.661   54.716   3.6862   0.8177   3.4514   0.9145   4.6222   1.8257  349.703   50.864  357.618   96.892 -7.915222 109.4312 
1 1 1   38   19   19 o  185.018   51.131   0.8486   0.6668   0.6855   0.8094   1.1932   1.1767  167.210   65.218  202.827   78.767 -35.61635 102.2625 
1 1 1   38   19   21 o  279.278   49.784   1.6209   0.5221   1.2588   0.5561   4.3118   1.5161  205.497   52.459  353.060   84.627 -147.5637 99.56766 
1 1 1   38   20    0 o  186.467  101.325   1.5316   1.3694   0.0000   0.0000   1.5316   1.3694  186.467  101.325  186.467  101.325 -0.000000 0.000000 
1 1 1   38   20    2 o  278.512   61.567   2.5053   1.0296   3.4521   1.4614   1.5721   1.4508  325.457   86.034  231.566   88.090 93.89075 123.1332 
1 1 1   38   20    4 o  171.873   48.641   0.4874   0.6720   0.0000   0.9057   1.0841   1.0022  144.539   63.435  199.207   73.754 -54.66835 97.28125 
1 1 1   38   20    6 o  300.882   59.676   3.0596   1.1087   4.5931   1.4818   1.1091   1.6711  383.797   77.759  217.967   90.546 165.8296 119.3521 
1 1 1   38   20    8 o  163.776   44.341   0.6198   0.3298   0.6541   0.3388   0.0000   1.4394  152.729   41.891  174.824   78.165 -22.09583 88.68279 
1 1 1   38   20   10 o  197.664   53.388   0.8093   0.5659   0.6637   0.6104   1.6994   1.5092  160.109   57.832  235.219   89.759 -75.11029 106.7765 
1 1 1   38   20   12 o  260.029   59.833   1.7420   0.7551   1.3683   0.8354   3.4116   1.7658  212.548   67.791  307.511   98.613 -94.96379 119.6665 
1 1 1   38   20   14 o  127.511   48.528   0.3555   0.4404   0.3555   0.4404   0.0000   0.0000  127.511   48.528  ?   ?       ?      ? 
1 1 1   38   20   16 o  148.825   49.211   0.6113   0.4380   0.6113   0.4380   0.0000   0.0000  148.825   49.211  ?   ?       ?      ? 
1 1 1   38   20   18 o  164.627   49.895   0.7831   0.4589   0.7831   0.4589   0.0000   0.0000  164.627   49.895  ?   ?       ?      ? 
1 1 1   38   20   20 o  206.775   49.255   1.1213   0.5026   0.9707   0.5519   1.8529   1.2164  180.482   54.723  233.069   81.912 -52.58652 98.50960 
1 1 1   38   21    1 o  294.827   62.269   2.8453   1.1000   1.5296   1.5384   4.2217   1.5735  230.038   89.862  359.616   86.224 -129.5783 124.5384 
1 1 1   38   21    3 o  344.810   69.349   4.1338   1.3290   2.9837   1.8285   5.4214   1.9348  290.541  100.522  399.079   95.565 -108.5382 138.6988 
1 1 1   38   21    5 o  239.139   60.085   1.8008   0.9295   1.9112   1.2823   1.6785   1.3494  244.787   84.208  233.490   85.731 11.29605 120.1699 
1 1 1   38   21    7 o  320.858   67.679   3.5493   1.1882   3.2301   1.5533   3.9995   1.8448  307.292   91.499  334.424   99.748 -27.13211 135.3584 
1 1 1   38   21    9 o  171.697   43.119   0.8202   0.3948   0.9095   0.4157   0.0000   1.2597  178.640   45.220  164.755   73.432 13.88554 86.23841 
1 1 1   38   21   11 f  236.682   53.374   0.9707   0.5315   0.6423   0.5652   3.4795   1.5622  156.268   55.739  317.095   91.040 -160.8274 106.7476 
1 1 1   38   21   13 o  240.387   56.290   1.8343   0.7355   1.8562   0.8235   1.7482   1.6352  246.007   64.365  234.767   92.367 11.24019 112.5806 
1 1 1   38   21   15 o  141.120   51.638   0.4981   0.4890   0.4981   0.4890   0.0000   0.0000  141.120   51.638  ?   ?       ?      ? 
1 1 1   38   21   17 o  204.865   64.736   1.2944   0.7631   1.2944   0.7631   0.0000   0.0000  204.865   64.736  ?   ?       ?      ? 
1 1 1   38   21   19 o  150.374   63.156   0.3600   0.8263   0.3600   0.8263   0.0000   0.0000  150.374   63.156  ?   ?       ?      ? 
1 1 1   38   22    0 o  129.700   79.039   0.5321   0.9924   0.0000   0.0000   0.5321   0.9924  129.700   79.039  129.700   79.039 -0.000000 0.000000 
1 1 1   38   22    2 o  282.096   57.238   2.5297   1.0498   0.5144   1.5206   4.3649   1.4511  192.624   83.395  371.569   78.423 -178.9451 114.4764 
1 1 1   38   22    4 o  229.476   57.275   1.5432   0.8545   1.0029   1.1327   2.2565   1.3016  197.127   77.080  261.825   84.737 -64.69862 114.5501 
1 1 1   38   22    6 o  258.542   61.605   1.9867   1.0192   0.9607   1.3271   3.4616   1.5912  200.704   81.743  316.380   92.189 -115.6761 123.2097 
1 1 1   38   22    8 o  264.362   63.175   2.2891   1.0082   1.8547   1.3021   2.9391   1.5929  239.616   84.695  289.108   93.761 -49.49124 126.3497 
1 1 1   38   22   10 o  292.530   54.010   2.3558   0.6731   2.1005   0.7416   3.5484   1.6030  267.349   55.758  317.712   92.516 -50.36356 108.0197 
1 1 1   38   22   12 o  298.151   61.270   3.2476   1.0925   4.1842   1.3986   1.7813   1.7500  360.215   77.796  236.087   94.678 124.1280 122.5407 
1 1 1   38   22   14 o  263.166   54.609   1.3882   0.5809   0.9994   0.6200   4.1832   1.6622  183.839   58.378  342.493   92.308 -158.6534 109.2185 
1 1 1   38   22   16 o  142.610   51.762   0.5238   0.4899   0.5238   0.4899   0.0000   0.0000  142.610   51.762  ?   ?       ?      ? 
1 1 1   38   22   18 o  165.423   44.800   0.7388   0.5081   0.9059   0.5626   0.0000   1.1830  174.751   55.623  156.095   70.243 18.65602 89.59924 
1 1 1   38   23    1 o  230.185   59.924   1.6247   0.9565   2.1251   1.3362   1.0988   1.3698  253.430   85.981  206.941   83.491 46.48880 119.8479 
1 1 1   38   23    3 o  227.639   58.528   1.5703   0.8979   2.0741   1.3130   1.1277   1.2307  250.801   85.232  204.477   80.234 46.32455 117.0550 
1 1 1   38   23    5 o  207.508   52.026   0.9460   0.7641   0.0000   0.9918   2.3273   1.1985  148.731   65.783  266.284   80.620 -117.5530 104.0524 
1 1 1   38   23    7 o  226.439   58.831   1.5902   0.8912   1.4473   1.1765   1.7828   1.3653  217.741   80.033  235.137   86.250 -17.39645 117.6625 
1 1 1   38   23    9 o  254.759   53.133   1.4207   0.8580   0.0000   1.0537   4.2165   1.4781  151.847   67.450  357.670   82.114 -205.8233 106.2652 
1 1 1   38   23   11 o  173.607   46.591   0.7368   0.4204   0.7511   0.4427   0.6055   1.3423  161.909   48.993  185.305   79.263 -23.39595 93.18197 
1 1 1   38   23   13 o  156.048   43.973   0.5562   0.3898   0.6097   0.4081   0.0000   1.3168  147.564   47.418  164.531   74.068 -16.96695 87.94594 
1 1 1   38   23   15 o  170.988   52.219   0.8571   0.5012   0.8571   0.5012   0.0000   0.0000  170.988   52.219  ?   ?       ?      ? 
1 1 1   38   23   17 o  134.682   46.016   0.4910   0.3827   0.4910   0.3827   0.0000   0.0000  134.682   46.016  ?   ?       ?      ? 
1 1 1   38   24    0 o  222.199  106.702   2.2160   1.4075   0.0000   0.0000   2.2160   1.4075  222.199  106.702  222.199  106.702 -0.000000 0.000000 
1 1 1   38   24    2 o  376.247   69.301   5.0206   1.4793   2.6791   1.9852   7.9444   2.2184  269.945  102.961  482.549   92.787 -212.6036 138.6022 
1 1 1   38   24    4 o  216.042   55.439   1.3511   0.8438   2.0910   1.1838   0.5866   1.2032  251.794   80.740  180.290   75.992 71.50444 110.8774 
1 1 1   38   24    6 o  231.060   56.816   1.6867   0.9102   2.5066   1.2056   0.5997   1.3880  274.692   80.301  187.428   80.398 87.26367 113.6315 
1 1 1   38   24    8 o  173.989   51.969   0.5245   0.7548   0.4844   0.9124   0.6115   1.3439  162.364   67.130  185.614   79.350 -23.24962 103.9373 
1 1 1   38   24   10 o  182.634   47.203   0.9751   0.5252   1.1227   0.5636   0.0000   1.4483  194.410   54.299  170.858   77.226 23.55220 94.40508 
1 1 1   38   24   12 o  201.696   50.580   1.1593   0.5433   1.1451   0.5891   1.2397   1.4055  195.375   55.850  208.017   84.345 -12.64233 101.1598 
1 1 1   38   24   14 o  232.113   56.969   1.6354   0.6748   1.6354   0.6748   0.0000   0.0000  232.113   56.969  ?   ?       ?      ? 
1 1 1   38   25    1 o  498.473   70.637   8.8860   1.7737   6.6361   2.4351   11.429   2.5888  408.082  112.459  588.863   85.508 -180.7809 141.2749 
1 1 1   38   25    3 o  262.105   54.798   2.0582   0.9895   0.0000   1.4019   4.1017   1.3968  169.421   76.332  354.789   78.643 -185.3681 109.5958 
1 1 1   38   25    5 o  292.800   65.996   3.1239   1.1370   2.5989   1.6247   3.6277   1.5917  267.373   94.594  318.227   92.053 -50.85394 131.9918 
1 1 1   38   25    7 o  285.998   62.472   2.7802   1.0874   1.5100   1.4682   4.3233   1.6183  220.701   87.303  351.295   89.382 -130.5942 124.9440 
1 1 1   38   25    9 o  196.356   53.909   1.0868   0.7740   0.9562   1.0306   1.2556   1.1721  187.790   73.498  204.921   78.883 -17.13049 107.8171 
1 1 1   38   25   11 o  102.627   44.600   0.0000   0.4382   0.0000   0.4382   0.0000   0.0000  102.627   44.600  ?   ?       ?      ? 
1 1 1   38   25   13 o  393.658   94.203   5.7054   1.8811   5.7054   1.8811   0.0000   0.0000  393.658   94.203  ?   ?       ?      ? 
1 1 1   38   26    0 o   96.478   63.192   0.0000   0.7795   0.0000   0.0000   0.0000   0.7795   96.478   63.192   96.478   63.192 -0.000000 0.000000 
1 1 1   38   26    2 o  279.175   67.043   2.8882   1.1756   2.2301   1.6678   3.5380   1.6573  249.528   94.563  308.823   95.061 -59.29506 134.0854 
1 1 1   38   26    4 o  261.698   60.384   2.2681   1.0140   1.0884   1.3856   3.6286   1.4880  202.192   83.069  321.204   87.661 -119.0121 120.7681 
1 1 1   38   26    6 o  127.080   55.895   0.0000   0.7066   0.0000   0.7066   0.0000   0.0000  127.080   55.895  ?   ?       ?      ? 
1 1 1   38   26    8 o  286.514   91.296   3.0311   1.5153   3.0311   1.5153   0.0000   0.0000  286.514   91.296  ?   ?       ?      ? 
1 1 1   38   26   10 f  129.647   57.247   0.0000   0.7481   0.0000   0.7481   0.0000   0.0000  129.647   57.247  ?   ?       ?      ? 
1 1 1   38   27    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   38   27    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   38   27    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   38   27    7 o  178.038   75.615   0.6414   1.2060   0.0000   0.0000   0.6414   1.2060  ?   ?   178.038   75.615      ?      ? 
1 1 1   38   28    0 o  115.353   76.431   0.0000   1.1926   0.0000   1.1926   0.0000   0.0000  115.353   76.431  115.353   76.431 0.000000 0.000000 
1 1 1   38   28    2 o  211.966   55.444   1.2714   0.9089   0.0000   1.3107   2.4492   1.2616  161.635   73.225  262.297   83.272 -100.6612 110.8879 
1 1 1   39    0    1 o  210.781   65.846   1.7803   0.8020   2.2756   1.1028   1.2243   1.1683  249.131   92.613  172.431   93.624 -0.000000 0.000000 
1 1 1   39    0    3 o  109.282   46.625   0.3268   0.4910   0.5172   0.6177   0.0000   0.8091  118.289   66.651  100.275   65.217 -0.000000 0.000000 
1 1 1   39    0    5 o  132.559   52.830   0.5573   0.5564   0.2353   0.7182   1.0403   0.8797  105.488   65.625  159.630   82.810 -0.000000 0.000000 
1 1 1   39    0    7 o  211.695   87.393   1.7178   0.9434   1.7178   0.9434   0.0000   0.0000  211.695   87.393  211.695   87.393 -0.000000 0.000000 
1 1 1   39    0    9 o  131.174   52.053   0.6521   0.5395   0.3610   0.9232   0.8031   0.6649  121.031   74.899  141.317   72.308 0.000000 0.000000 
1 1 1   39    0   11 o  104.076   59.531   0.3848   0.5027   0.0000   0.0000   0.3848   0.5027  104.076   59.531  104.076   59.531 0.000000 0.000000 
1 1 1   39    0   13 o  137.998   71.687   0.7678   0.6600   0.0000   0.0000   0.7678   0.6600  137.998   71.687  137.998   71.687 0.000000 0.000000 
1 1 1   39    0   15 o  155.310   74.466   0.9737   0.6852   0.9737   0.6852   0.0000   0.0000  155.310   74.466  155.310   74.466 -0.000000 0.000000 
1 1 1   39    0   17 o  171.607   60.552   1.1501   0.6108   0.9956   0.7336   1.4990   1.1027  155.903   76.703  187.311   93.718 -0.000000 0.000000 
1 1 1   39    0   19 o  100.993   43.030   0.3088   0.3924   0.0000   0.7857   0.4114   0.4530   97.903   63.885  104.083   57.664 0.000000 0.000000 
1 1 1   39    0   21 o  105.754   46.135   0.2873   0.4908   0.4285   0.5994   0.0000   0.8550  110.005   64.091  101.504   66.378 -0.000000 0.000000 
1 1 1   39    0   23 o  131.236   82.748   0.4311   1.1833   0.4311   1.1833   0.0000   0.0000  131.236   82.748  131.236   82.748 0.000000 0.000000 
1 1 1   39    0   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   39    0   27 o  135.904   53.346   0.5572   0.5186   0.2426   0.6141   1.3395   0.9684   98.089   60.871  173.718   87.623 -0.000000 0.000000 
1 1 1   39    1    0 o  258.104   77.907   2.2102   0.9016   0.0000   0.0000   2.2102   0.9016  258.104   77.907  258.104   77.907 -0.000000 0.000000 
1 1 1   39    1    2 o  240.796   44.647   1.6907   0.5757   1.1809   0.8209   2.1840   0.8075  205.119   67.350  276.474   58.629 -71.35503 89.29390 
1 1 1   39    1    4 o  166.510   39.789   0.7171   0.4140   0.9488   0.5834   0.4819   0.5877  184.262   56.348  148.759   56.193 35.50266 79.57861 
1 1 1   39    1    6 f  321.320   44.004   3.0113   0.7032   2.0220   1.0006   3.9770   0.9886  260.439   72.212  382.202   50.308 -121.7631 88.00819 
1 1 1   39    1    8 f  213.932   41.187   1.3224   0.4708   1.0735   0.6823   1.5487   0.6506  195.017   61.154  232.846   55.187 -37.82932 82.37348 
1 1 1   39    1   10 o  237.930   47.428   1.6630   0.6069   1.8693   0.8758   1.4724   0.8419  251.581   66.648  224.278   67.496 27.30344 94.85565 
1 1 1   39    1   12 o  214.464   46.912   1.3362   0.5820   1.0044   0.8403   1.6422   0.8070  192.748   68.046  236.181   64.595 -43.43294 93.82319 
1 1 1   39    1   14 o  157.263   41.569   0.5787   0.4522   0.6040   0.6508   0.5550   0.6286  159.469   59.357  155.057   58.213 4.412003 83.13841 
1 1 1   39    1   16 o  187.779   43.256   0.9808   0.4975   0.6145   0.7155   1.3237   0.6922  162.893   61.887  212.666   60.450 -49.77367 86.51125 
1 1 1   39    1   18 o  257.786   42.294   1.9580   0.5542   2.3728   0.7925   1.5609   0.7754  286.824   55.748  228.748   63.618 58.07611 84.58779 
1 1 1   39    1   20 o  215.855   40.655   1.3714   0.4616   1.5501   0.6572   1.1974   0.6485  229.951   56.087  201.758   58.870 28.19333 81.31070 
1 1 1   39    1   22 o  191.209   47.331   1.0539   0.5445   0.8279   1.0817   1.1306   0.6302  186.701   74.590  195.717   58.285 -9.016281 94.66176 
1 1 1   39    1   24 o  308.015   47.372   2.9671   0.7232   3.1932   0.9548   2.6629   1.1077  328.317   58.723  287.713   74.350 40.60461 94.74355 
1 1 1   39    1   26 o  142.189   41.503   0.3568   0.4700   0.4853   0.5482   0.0000   0.9132  142.634   54.177  141.743   62.886 0.8905029 83.00530 
1 1 1   39    2    1 o  221.605   44.107   1.4160   0.5248   1.5327   0.7444   1.3008   0.7399  230.308   61.649  212.903   63.095 17.40500 88.21352 
1 1 1   39    2    3 o  184.904   42.461   0.9219   0.4681   1.1794   0.6814   0.6918   0.6442  203.507   60.605  166.301   59.487 37.20630 84.92129 
1 1 1   39    2    5 o  161.943   40.991   0.6354   0.4348   0.8140   0.6399   0.4821   0.5927  174.864   59.502  149.023   56.396 25.84116 81.98170 
1 1 1   39    2    7 o  158.514   40.246   0.6272   0.4253   0.2401   0.7439   0.8151   0.5184  145.305   60.390  171.725   53.215 -26.42015 80.49106 
1 1 1   39    2    9 o  219.681   42.178   1.4085   0.4907   1.2166   0.7421   1.5577   0.6542  206.031   63.641  233.331   55.368 -27.29984 84.35503 
1 1 1   39    2   11 o  242.695   47.299   1.7368   0.6106   1.9323   0.8814   1.5565   0.8465  255.550   66.462  229.839   67.317 25.71109 94.59858 
1 1 1   39    2   13 o  216.981   46.215   1.3166   0.5717   1.8837   0.8645   0.8757   0.7622  251.962   65.963  182.001   64.747 69.96080 92.43035 
1 1 1   39    2   15 o  394.879   48.476   4.5577   0.9610   5.0567   1.4018   4.1152   1.3200  419.581   64.983  370.177   71.950 49.40402 96.95148 
1 1 1   39    2   17 o  223.891   42.764   1.4992   0.5044   1.2862   0.7895   1.6461   0.6557  209.133   65.815  238.649   54.621 -29.51582 85.52799 
1 1 1   39    2   19 o  228.042   42.710   1.5427   0.5087   1.5190   0.7260   1.5657   0.7131  226.097   61.031  229.987   59.764 -3.889877 85.41924 
1 1 1   39    2   21 o  167.386   41.930   0.7787   0.4675   0.0000   0.9583   1.0219   0.5355  147.152   64.895  187.620   53.114 -40.46846 83.85992 
1 1 1   39    2   23 o  262.471   47.384   2.1565   0.6436   2.3584   0.8599   1.8993   0.9704  280.034   61.418  244.907   72.172 35.12677 94.76842 
1 1 1   39    2   25 o  144.425   37.855   0.5147   0.3716   0.4697   0.4973   0.5716   0.5592  139.149   51.865  149.700   55.154 -10.55083 75.70945 
1 1 1   39    2   27 f  235.864   53.236   1.1079   0.7250   0.2531   0.8341   3.7481   1.4659  146.095   62.486  325.633   86.207 -179.5373 106.4715 
1 1 1   39    3    0 o  242.558   79.559   2.0161   0.8798   2.0161   0.8798   0.0000   0.0000  242.558   79.559  242.558   79.559 0.000000 0.000000 
1 1 1   39    3    2 o  152.632   41.806   0.4635   0.4785   0.6987   0.5876   0.0000   0.8248  164.435   56.977  140.828   61.194 23.60742 83.61280 
1 1 1   39    3    4 o  169.422   45.479   0.6695   0.5331   0.8761   0.6098   0.0000   1.0980  178.788   58.015  160.056   70.055 18.73245 90.95862 
1 1 1   39    3    6 o  206.559   49.500   1.1589   0.5734   1.1582   0.6602   1.1610   1.1574  201.553   59.566  211.565   79.074 -10.01227 98.99916 
1 1 1   39    3    8 o  165.891   43.650   0.6149   0.4586   0.5493   0.5407   0.7831   0.8659  150.632   54.425  181.150   68.259 -30.51825 87.30094 
1 1 1   39    3   10 o  216.871   41.161   1.3337   0.5517   0.2308   0.8102   2.2871   0.7533  149.227   62.600  284.516   53.463 -135.2891 82.32273 
1 1 1   39    3   12 f  301.304   46.912   2.6248   0.7444   3.9695   1.0994   1.4868   1.0114  377.549   56.640  225.059   74.799 152.4897 93.82433 
1 1 1   39    3   14 o  258.810   48.930   2.0066   0.6633   2.1791   0.9695   1.8547   0.9096  269.022   69.573  248.598   68.821 20.42441 97.86092 
1 1 1   39    3   16 o  178.519   42.954   0.8763   0.4713   0.8800   0.6801   0.8730   0.6538  179.093   61.338  177.945   60.147 1.147995 85.90727 
1 1 1   39    3   18 o  221.087   50.127   1.4431   0.5956   1.3928   1.2132   1.4590   0.6837  219.506   81.171  222.669   58.839 -3.163223 100.2535 
1 1 1   39    3   20 o  146.892   42.107   0.3796   0.4546   0.3728   0.8753   0.3821   0.5320  157.458   65.480  136.325   52.958 21.13287 84.21455 
1 1 1   39    3   22 o  201.068   39.053   1.1890   0.4249   0.8923   0.6008   1.4857   0.6010  176.498   57.601  225.638   52.750 -49.14081 78.10568 
1 1 1   39    3   24 o  178.293   38.967   0.9338   0.3985   0.7558   0.5922   1.0812   0.5389  164.924   57.196  191.661   52.937 -26.73642 77.93422 
1 1 1   39    3   26 o  298.093   43.179   2.7296   0.6494   2.0031   0.9287   3.4251   0.9086  249.735   69.683  346.452   51.009 -96.71725 86.35798 
1 1 1   39    4    1 o  137.735   40.570   0.1699   0.4795   0.0000   0.6623   0.3572   0.6953  127.284   55.072  148.186   59.590 -20.90266 81.14095 
1 1 1   39    4    3 o  275.225   51.822   2.2655   0.7251   2.2141   1.2360   2.2925   0.8954  269.387   81.942  281.062   63.464 -11.67502 103.6444 
1 1 1   39    4    5 o  221.122   43.273   1.4145   0.5087   1.3584   0.7457   1.4634   0.6956  216.882   63.083  225.362   59.252 -8.480530 86.54675 
1 1 1   39    4    7 o  284.907   44.510   2.2877   0.6691   1.2696   0.9022   3.5319   0.9974  211.534   70.659  358.280   54.149 -146.7468 89.02085 
1 1 1   39    4    9 o  271.173   59.591   2.1217   0.8081   2.1217   0.8081   0.0000   0.0000  271.173   59.591  ?   ?       ?      ? 
1 1 1   39    4   11 o  332.991   72.132   3.3198   1.1992   3.3198   1.1992   0.0000   0.0000  332.991   72.132  ?   ?       ?      ? 
1 1 1   39    4   13 o  200.231   66.305   1.1403   0.7950   1.1403   0.7950   0.0000   0.0000  200.231   66.305  ?   ?       ?      ? 
1 1 1   39    4   15 o  159.383   56.314   0.6557   0.5756   0.0000   0.0000   0.6557   0.5756  ?   ?   159.383   56.314      ?      ? 
1 1 1   39    4   17 o  171.444   55.500   0.8204   0.5583   0.0000   0.0000   0.8204   0.5583  ?   ?   171.444   55.500      ?      ? 
1 1 1   39    4   19 o  230.385   45.012   1.6071   0.5517   1.7330   0.7296   1.4389   0.8433  242.182   59.111  218.589   67.897 23.59358 90.02302 
1 1 1   39    4   21 o  249.719   41.761   1.8620   0.5305   1.5827   0.7567   2.1320   0.7441  229.103   62.505  270.334   55.398 -41.23080 83.52110 
1 1 1   39    4   23 o  228.325   43.354   1.5837   0.5198   1.5124   0.7599   1.6463   0.7127  222.588   63.365  234.062   59.187 -11.47386 86.70760 
1 1 1   39    4   25 o  175.873   43.008   0.8907   0.4731   0.8650   0.6920   0.9133   0.6484  174.532   61.735  177.213   59.897 -2.680862 86.01664 
1 1 1   39    4   27 o  184.210   41.452   1.0242   0.4427   1.0873   0.6171   0.9573   0.6354  189.327   57.964  179.094   59.273 10.23331 82.90456 
1 1 1   39    5    0 o   94.433   55.913   0.2759   0.4691   0.0000   0.0000   0.2759   0.4691   94.433   55.913   94.433   55.913 -0.000000 0.000000 
1 1 1   39    5    2 o  377.901   41.824   3.9694   0.8125   4.0129   1.1558   3.9270   1.1426  379.935   59.169  375.866   59.126 4.069580 83.64725 
1 1 1   39    5    4 o  191.100   47.202   0.9366   0.5736   1.2761   0.8688   0.6742   0.7638  211.740   69.273  170.460   64.134 41.28088 94.40346 
1 1 1   39    5    6 o  236.095   46.686   1.6371   0.5899   1.7387   0.8166   1.5262   0.8529  243.836   64.242  228.354   67.760 15.48250 93.37292 
1 1 1   39    5    8 o  207.544   42.271   1.2377   0.4736   1.2351   0.7142   1.2397   0.6328  207.234   62.121  207.854   57.345 -0.6203003 84.54268 
1 1 1   39    5   10 o  155.654   38.627   0.4824   0.3747   1.0259   0.6618   0.2260   0.4546  190.653   60.291  120.654   48.303 69.99840 77.25375 
1 1 1   39    5   12 o  138.669   51.236   0.4423   0.4832   0.0000   0.0000   0.4423   0.4832  ?   ?   138.669   51.236      ?      ? 
1 1 1   39    5   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   39    5   16 o  143.059   52.858   0.4821   0.5142   0.0000   0.0000   0.4821   0.5142  ?   ?   143.059   52.858      ?      ? 
1 1 1   39    5   18 o  192.523   36.697   1.0704   0.4384   1.7824   0.5864   0.1684   0.6600  251.449   47.092  133.597   56.295 117.8515 73.39423 
1 1 1   39    5   20 o  160.917   37.819   0.6649   0.3911   0.2754   0.5495   1.0647   0.5567  130.535   52.805  191.298   54.154 -60.76282 75.63760 
1 1 1   39    5   22 o  189.420   39.211   1.0402   0.4096   1.2661   0.5993   0.8422   0.5611  207.085   55.262  171.755   55.644 35.32938 78.42233 
1 1 1   39    5   24 o  195.816   41.949   1.1500   0.4588   1.1540   0.6504   1.1460   0.6472  196.117   59.392  195.514   59.258 0.6024933 83.89832 
1 1 1   39    5   26 f  214.496   41.769   1.3973   0.4801   1.6918   0.6980   1.1328   0.6614  235.901   57.967  193.091   60.155 42.80969 83.53872 
1 1 1   39    6    1 o  329.791   59.946   3.3654   1.0179   3.5273   1.5235   3.2348   1.3681  335.348   87.455  324.234   82.012 11.11395 119.8925 
1 1 1   39    6    3 o  272.542   55.677   2.2577   0.8160   2.2382   1.2843   2.2710   1.0566  269.910   83.782  275.175   73.352 -5.265137 111.3549 
1 1 1   39    6    5 o  216.986   58.740   1.3553   0.6713   0.0000   0.0000   1.3553   0.6713  ?   ?   216.986   58.740      ?      ? 
1 1 1   39    6    7 o  373.541   53.483   3.8384   1.0271   0.0000   0.0000   3.8384   1.0271  ?   ?   373.541   53.483      ?      ? 
1 1 1   39    6    9 o  223.602   46.272   1.1005   0.5011   2.3785   1.0763   0.7467   0.5663  280.385   73.696  166.819   55.977 113.5661 92.54420 
1 1 1   39    6   11 o  185.071   60.428   0.9558   0.6612   0.0000   0.0000   0.9558   0.6612  ?   ?   185.071   60.428      ?      ? 
1 1 1   39    6   13 o  166.498   41.960   0.7204   0.4546   0.4996   0.7450   0.8514   0.5739  158.070   62.296  174.926   56.229 -16.85535 83.91994 
1 1 1   39    6   15 o  272.751   49.604   2.2476   0.6983   2.4338   1.0309   2.0897   0.9493  282.802   71.004  262.700   69.288 20.10196 99.20873 
1 1 1   39    6   17 o  191.361   48.787   0.9157   0.5762   0.7305   0.6912   1.3378   1.0433  168.624   61.443  214.098   75.798 -45.47330 97.57345 
1 1 1   39    6   19 o  211.821   42.820   1.3691   0.5007   0.9886   0.7972   1.6170   0.6435  187.906   66.286  235.735   54.224 -47.82951 85.63942 
1 1 1   39    6   21 o  219.857   42.642   1.3962   0.5189   2.0742   0.7751   0.8455   0.6985  264.537   58.538  175.177   62.021 89.36018 85.28304 
1 1 1   39    6   23 o  227.236   44.879   1.5265   0.5243   1.8012   0.8957   1.3833   0.6467  239.494   68.989  214.977   57.421 24.51674 89.75877 
1 1 1   39    6   25 o  125.915   34.650   0.3204   0.3222   0.4217   0.4801   0.2375   0.4345  134.293   50.775  117.536   47.164 16.75671 69.29990 
1 1 1   39    6   27 o  113.062   32.381   0.1400   0.2808   0.4289   0.4916   0.0000   0.3422  134.740   51.273   91.385   39.562 43.35526 64.76157 
1 1 1   39    7    0 o  429.035   61.390   5.2016   1.2738   0.0000   0.0000   5.2016   1.2738  429.035   61.390  429.035   61.390 -0.000000 0.000000 
1 1 1   39    7    2 o  233.960   49.462   1.5538   0.6049   1.7573   1.1005   1.4657   0.7241  242.911   77.843  225.010   61.045 17.90100 98.92398 
1 1 1   39    7    4 o  270.961   49.797   2.3261   0.7031   1.4753   1.3339   2.6535   0.8274  230.510   85.138  311.412   51.679 -80.90196 99.59485 
1 1 1   39    7    6 o  273.020   52.096   2.0668   0.6810   2.7088   1.3328   1.8399   0.7922  294.620   83.930  251.420   61.740 43.19936 104.1928 
1 1 1   39    7    8 o  253.995   47.435   1.8416   0.5897   2.0870   1.0848   1.7387   0.7025  262.037   76.051  245.953   56.716 16.08484 94.87075 
1 1 1   39    7   10 o  288.213   42.820   2.0024   0.6096   3.8963   1.1104   1.1853   0.7293  373.399   57.840  203.026   63.155 170.3731 85.63909 
1 1 1   39    7   12 o  271.342   48.325   2.1304   0.6791   2.9110   1.0486   1.5665   0.8913  313.346   67.115  229.338   69.546 84.00818 96.64916 
1 1 1   39    7   14 o  225.913   46.298   1.5595   0.5906   1.0250   0.9279   1.9235   0.7657  195.175   71.177  256.652   59.229 -61.47781 92.59678 
1 1 1   39    7   16 o  232.529   46.075   1.5389   0.5868   2.2620   0.9051   1.0146   0.7707  275.029   65.032  190.030   65.287 84.99866 92.15021 
1 1 1   39    7   18 o  164.658   67.713   0.4674   0.9217   0.0000   0.0000   0.4674   0.9217  ?   ?   164.658   67.713      ?      ? 
1 1 1   39    7   20 o  175.906   41.568   0.8801   0.4406   0.7686   0.6983   0.9538   0.5680  170.262   61.798  181.550   55.612 -11.28815 83.13680 
1 1 1   39    7   22 o  190.437   40.751   1.0282   0.4374   1.4050   0.6704   0.7489   0.5772  216.473   58.737  164.401   56.502 52.07234 81.50172 
1 1 1   39    7   24 o  229.923   42.157   1.6084   0.5134   1.1958   0.7209   2.0331   0.7314  198.472   62.940  261.375   56.102 -62.90269 84.31471 
1 1 1   39    7   26 o  159.552   38.390   0.7262   0.3807   0.5752   0.5829   0.8386   0.5027  150.048   56.111  169.055   52.410 -19.00645 76.78056 
1 1 1   39    8    1 o  285.034   43.314   2.3431   0.6151   2.4390   0.8971   2.2581   0.8450  290.304   61.994  279.765   60.506 10.53873 86.62709 
1 1 1   39    8    3 o  190.641   41.623   0.9422   0.4544   1.4602   0.7232   0.6043   0.5841  224.414   61.056  156.869   56.585 67.54497 83.24510 
1 1 1   39    8    5 o  209.856   42.256   1.2877   0.4847   1.0113   0.7395   1.4959   0.6417  191.160   63.970  228.553   55.229 -37.39343 84.51235 
1 1 1   39    8    7 o  237.719   43.056   1.6489   0.5240   1.6012   0.8159   1.6825   0.6836  233.325   65.393  242.113   56.027 -8.787262 86.11179 
1 1 1   39    8    9 o  203.771   46.482   1.2133   0.5513   0.8903   0.9715   1.3667   0.6696  190.333   72.163  217.210   58.606 -26.87706 92.96304 
1 1 1   39    8   11 o  277.396   47.492   2.4471   0.7324   1.1341   1.1568   3.3256   0.9461  208.040   78.775  346.752   53.072 -138.7120 94.98487 
1 1 1   39    8   13 o  243.201   40.784   1.5511   0.5736   2.9768   0.8805   0.4999   0.7560  327.935   52.221  158.467   62.660 169.4680 81.56807 
1 1 1   39    8   15 o  221.202   46.456   1.4676   0.5685   1.3070   0.8645   1.5900   0.7546  210.801   69.111  231.604   62.099 -20.80249 92.91145 
1 1 1   39    8   17 o  151.820   38.092   0.6024   0.3790   0.2594   0.6715   0.7628   0.4591  139.101   57.557  164.538   49.913 -25.43648 76.18500 
1 1 1   39    8   19 o  301.873   41.503   2.7029   0.6370   4.3791   0.9327   1.2380   0.8720  399.169   45.450  204.576   69.458 194.5933 83.00681 
1 1 1   39    8   21 o  205.317   49.227   1.2950   0.7019   1.8564   0.8404   0.0000   1.2764  245.903   65.355  164.731   73.633 81.17245 98.45341 
1 1 1   39    8   23 o  251.323   39.703   1.8239   0.5466   3.0590   0.8124   0.8028   0.7387  330.509   47.812  172.137   63.397 158.3716 79.40508 
1 1 1   39    8   25 o  294.798   42.531   2.5595   0.6327   3.3794   0.9633   1.9376   0.8390  341.201   54.915  248.395   64.961 92.80692 85.06270 
1 1 1   39    9    0 f  308.804   65.975   2.8626   0.9202   0.0000   0.0000   2.8626   0.9202  308.804   65.975  308.804   65.975 -0.000000 0.000000 
1 1 1   39    9    2 o  233.666   43.770   1.6193   0.5433   1.2407   0.8162   1.9204   0.7279  208.226   67.072  259.106   56.255 -50.87987 87.54070 
1 1 1   39    9    4 o  170.781   40.397   0.7405   0.4080   1.0146   0.6710   0.5798   0.5139  190.070   60.771  151.492   53.241 38.57799 80.79402 
1 1 1   39    9    6 o  200.520   41.188   1.1602   0.4700   0.7279   0.6935   1.5275   0.6392  170.099   61.610  230.941   54.682 -60.84142 82.37680 
1 1 1   39    9    8 o  143.627   34.469   0.5386   0.3125   0.2950   0.5048   0.6900   0.3980  129.562   51.210  157.692   46.151 -28.12956 68.93746 
1 1 1   39    9   10 o  122.916   33.264   0.3131   0.2903   0.0000   0.5544   0.4313   0.3407  116.540   50.406  129.292   43.419 -12.75252 66.52782 
1 1 1   39    9   12 o  149.488   39.509   0.4133   0.3858   0.8545   0.7046   0.2244   0.4610  178.225   62.356  120.750   48.536 57.47491 79.01882 
1 1 1   39    9   14 o  165.834   41.679   0.6089   0.4343   1.1058   0.7517   0.3600   0.5321  196.223   64.450  135.445   52.865 60.77892 83.35735 
1 1 1   39    9   16 o  211.638   44.536   1.1506   0.5511   2.1476   0.8860   0.5213   0.7039  267.331   65.074  155.946   60.822 111.3853 89.07287 
1 1 1   39    9   18 o  171.424   42.144   0.7933   0.4356   0.8026   0.7726   0.7890   0.5275  175.339   64.789  167.509   53.917 7.829391 84.28889 
1 1 1   39    9   20 o  147.985   36.728   0.5380   0.3454   0.7812   0.5413   0.3711   0.4485  166.556   54.687  129.413   49.041 37.14287 73.45513 
1 1 1   39    9   22 o  174.106   47.771   0.6835   0.5539   0.5483   0.6466   1.0565   1.0737  152.665   58.633  195.547   75.436 -42.88148 95.54282 
1 1 1   39    9   24 o  185.441   39.968   0.9388   0.4331   1.5342   0.6735   0.5189   0.5656  224.974   57.889  145.908   55.123 79.06575 79.93584 
1 1 1   39    9   26 o  132.601   31.836   0.4351   0.3061  -0.1806   0.5101   0.7814   0.3826  101.026   45.732  164.176   44.302 -63.14921 63.67126 
1 1 1   39   10    1 o  311.259   43.353   2.7988   0.6679   2.7566   0.9735   2.8364   0.9182  307.741   63.629  314.778   58.900 -7.037720 86.70592 
1 1 1   39   10    3 o  289.079   48.061   2.4737   0.7051   2.8625   1.0146   2.1106   0.9805  312.764   65.209  265.394   70.619 47.37000 96.12112 
1 1 1   39   10    5 o  206.696   41.087   1.2857   0.4765   0.7333   0.7726   1.6248   0.6053  173.698   64.668  239.695   50.702 -65.99686 82.17449 
1 1 1   39   10    7 f  415.078   39.955   4.8737   0.8341   4.2800   1.2605   5.3362   1.1125  388.234   63.149  441.922   48.967 -53.68759 79.91000 
1 1 1   39   10    9 o  150.775   37.042   0.5211   0.3436   0.8444   0.5785   0.3448   0.4271  174.525   56.496  127.026   47.925 47.49914 74.08458 
1 1 1   39   10   11 o  130.508   38.309   0.2130   0.3202   0.3048   0.8304   0.1970   0.3471  153.108   63.734  107.909   42.524 45.19972 76.61755 
1 1 1   39   10   13 o  168.307   41.942   0.7246   0.4375   0.8719   0.7293   0.6418   0.5468  179.719   63.398  156.896   54.929 22.82379 83.88367 
1 1 1   39   10   15 o  212.779   46.107   1.3354   0.5469   1.4118   0.8459   1.2805   0.7168  217.226   68.090  208.331   62.185 8.895233 92.21336 
1 1 1   39   10   17 f  276.536   46.114   2.0171   0.6363   3.5840   1.1200   1.2701   0.7733  346.405   65.280  206.667   65.151 139.7378 92.22836 
1 1 1   39   10   19 o  261.321   42.045   2.0706   0.5554   1.6426   0.8192   2.4346   0.7556  231.807   65.719  290.836   52.461 -59.02901 84.09059 
1 1 1   39   10   21 o  214.186   40.466   1.3557   0.4605   1.7064   0.6730   1.0470   0.6314  240.080   55.614  188.292   58.797 51.78761 80.93206 
1 1 1   39   10   23 o  171.558   46.822   0.7593   0.5666   0.8509   0.6772   0.5456   1.0346  173.205   61.093  169.911   70.969 3.294113 93.64316 
1 1 1   39   10   25 o  213.013   52.104   1.2805   0.6059   1.9561   1.2833   1.0867   0.6873  237.061   84.048  188.965   61.606 48.09500 104.2078 
1 1 1   39   11    0 o  548.712   54.075   8.2406   1.4915   8.2406   1.4915   0.0000   0.0000  548.712   54.075  548.712   54.075 0.000000 0.000000 
1 1 1   39   11    2 o  227.218   54.345   1.3428   0.7433   0.8698   0.9237   2.2116   1.2517  187.567   70.536  266.870   82.693 -79.30322 108.6900 
1 1 1   39   11    4 o  411.554   91.181   5.4200   1.8785   5.4200   1.8785   0.0000   0.0000  411.554   91.181  ?   ?       ?      ? 
1 1 1   39   11    6 o  156.623   44.712   0.4257   0.4675   0.4142   0.5212   0.4730   1.0567  139.024   52.822  174.221   72.155 -35.19774 89.42343 
1 1 1   39   11    8 f  218.764   61.062   1.3992   0.7130   1.3992   0.7130   0.0000   0.0000  218.764   61.062  ?   ?       ?      ? 
1 1 1   39   11   10 o  192.718   43.750   1.0531   0.4639   0.9680   0.8887   1.0849   0.5439  190.907   69.652  194.530   52.960 -3.622635 87.49960 
1 1 1   39   11   12 o  215.072   50.176   1.2958   0.5971   1.5472   1.1311   1.1987   0.7031  227.398   79.039  202.746   61.831 24.65250 100.3510 
1 1 1   39   11   14 o  203.567   46.879   1.2023   0.5444   1.1852   0.9511   1.2106   0.6638  203.840   72.349  203.294   59.632 0.5464172 93.75743 
1 1 1   39   11   16 o  163.829   41.859   0.6616   0.4351   0.8650   0.7407   0.5544   0.5377  178.530   63.794  149.128   54.214 29.40161 83.71878 
1 1 1   39   11   18 o  194.794   44.289   1.1056   0.4912   1.1326   0.8202   1.0905   0.6133  196.834   67.361  192.755   57.519 4.079117 88.57730 
1 1 1   39   11   20 f  147.335   34.864   0.5190   0.3287   0.9255   0.4979   0.2052   0.4376  178.536   51.441  116.134   47.071 62.40197 69.72714 
1 1 1   39   11   22 o  195.121   39.418   1.1304   0.4264   1.4464   0.6038   0.8159   0.6024  220.910   53.688  169.331   57.730 51.57883 78.83566 
1 1 1   39   11   24 o  170.441   71.570   0.5628   1.0608   0.0000   0.0000   0.5628   1.0608  ?   ?   170.441   71.570      ?      ? 
1 1 1   39   12    1 o  187.814   46.023   0.9879   0.5032   0.4280   1.1627   1.1169   0.5581  177.979   74.843  197.649   53.581 -19.66954 92.04537 
1 1 1   39   12    3 o  171.455   38.870   0.8083   0.3789   0.7995   0.6322   0.8132   0.4733  172.568   59.137  170.341   50.462 2.226563 77.74039 
1 1 1   39   12    5 o  170.677   35.190   0.6786   0.3571   1.3939   0.5702   0.2169   0.4580  221.229   51.150  120.125   48.345 101.1036 70.38100 
1 1 1   39   12    7 o  300.360   41.904   2.5772   0.6188   2.8548   0.9536   2.3753   0.8132  313.322   61.395  287.398   57.046 25.92386 83.80718 
1 1 1   39   12    9 o  260.024   41.654   1.9706   0.5387   1.9601   0.8323   1.9782   0.7067  257.277   63.343  262.771   54.110 -5.493744 83.30787 
1 1 1   39   12   11 o  236.208   55.444   1.5562   0.7928   0.9783   1.0141   2.4646   1.2715  194.698   73.750  277.718   82.806 -83.01962 110.8874 
1 1 1   39   12   13 o  245.346   80.843   1.8885   1.1824   1.8885   1.1824   0.0000   0.0000  245.346   80.843  ?   ?       ?      ? 
1 1 1   39   12   15 f  222.716   46.659   1.1070   0.5984   2.7168   1.0721   0.3785   0.7212  296.850   71.171  148.582   60.358 148.2679 93.31843 
1 1 1   39   12   17 o  234.371   49.278   1.5757   0.5896   2.0499   1.1143   1.3914   0.6948  252.894   77.964  215.848   60.292 37.04529 98.55674 
1 1 1   39   12   19 o  255.139   51.344   1.2153   0.7122   0.2907   0.8129   4.2671   1.4769  148.779   62.573  361.498   81.423 -212.7197 102.6889 
1 1 1   39   12   21 o  192.528   53.917   0.8041   0.7946   0.2655   1.0144   1.6597   1.2785  158.368   68.339  226.688   83.415 -68.31975 107.8347 
1 1 1   39   12   23 o  228.154   81.105   1.7378   1.1957   1.7378   1.1957   0.0000   0.0000  228.154   81.105  ?   ?       ?      ? 
1 1 1   39   13    0 o  212.348   68.102   1.5236   0.6558   0.0000   0.0000   1.5236   0.6558  212.348   68.102  212.348   68.102 -0.000000 0.000000 
1 1 1   39   13    2 o  260.552   45.160   2.0003   0.5836   1.9961   0.9764   2.0026   0.7279  256.844   71.375  264.260   55.346 -7.415924 90.31910 
1 1 1   39   13    4 o  415.899   50.812   5.0629   0.9506   5.2558   1.7777   4.9857   1.1250  406.556   87.633  425.242   51.457 -18.68661 101.6235 
1 1 1   39   13    6 o  194.723   45.352   0.9312   0.4557   1.4438   0.9756   0.7882   0.5154  221.078   73.462  168.369   53.203 52.70831 90.70461 
1 1 1   39   13    8 o  192.444   42.000   1.0092   0.4509   1.3620   0.7288   0.7904   0.5740  215.221   62.299  169.668   56.347 45.55258 84.00091 
1 1 1   39   13   10 o  248.903   47.793   1.7871   0.5883   2.1008   1.0814   1.6552   0.7011  259.866   76.080  237.939   57.869 21.92726 95.58696 
1 1 1   39   13   12 o  167.677   45.715   0.5457   0.4526   0.9898   1.0629   0.4473   0.5002  196.025   75.203  139.328   52.001 56.69643 91.43021 
1 1 1   39   13   14 o  189.272   71.126   0.9461   0.9389   0.9461   0.9389   0.0000   0.0000  189.272   71.126  ?   ?       ?      ? 
1 1 1   39   13   16 o  256.261   83.795   2.1517   1.2713   2.1517   1.2713   0.0000   0.0000  256.261   83.795  ?   ?       ?      ? 
1 1 1   39   13   18 o  287.028   63.338   2.8747   1.0324   2.9957   1.3045   2.6718   1.6889  300.608   82.093  273.448   96.476 27.16049 126.6764 
1 1 1   39   13   20 o  227.807   57.828   1.6887   0.8911   2.0796   1.1531   1.1091   1.4039  250.394   79.624  205.220   83.884 45.17424 115.6568 
1 1 1   39   13   22 o  239.363   63.682   1.7848   0.7974   1.7848   0.7974   0.0000   0.0000  239.363   63.682  ?   ?       ?      ? 
1 1 1   39   13   24 o  237.354   56.362   1.2830   0.6626   0.8231   0.7275   3.5199   1.6045  170.813   62.914  303.896   93.532 -133.0836 112.7234 
1 1 1   39   14    1 o  174.593   36.034   0.8550   0.3451   0.9924   0.5005   0.7304   0.4764  186.670   50.795  162.515   51.125 24.15497 72.06875 
1 1 1   39   14    3 o  208.625   41.474   1.2320   0.4638   1.5617   0.7097   0.9862   0.6128  231.057   59.411  186.193   57.886 44.86366 82.94897 
1 1 1   39   14    5 o  246.221   55.501   1.7434   0.9035   0.4149   1.2972   2.9954   1.2592  182.951   78.079  309.492   78.901 -126.5414 111.0029 
1 1 1   39   14    7 o  182.981   48.316   0.8607   0.5563   0.9516   0.6244   0.5106   1.2248  183.273   58.624  182.689   76.819 0.5835724 96.63289 
1 1 1   39   14    9 o  208.434   62.518   1.2780   0.7232   1.2780   0.7232   0.0000   0.0000  208.434   62.518  ?   ?       ?      ? 
1 1 1   39   14   11 o  236.852   77.212   1.7365   1.0797   1.7365   1.0797   0.0000   0.0000  236.852   77.212  ?   ?       ?      ? 
1 1 1   39   14   13 o  212.673   75.065   1.3369   1.0225   1.3369   1.0225   0.0000   0.0000  212.673   75.065  ?   ?       ?      ? 
1 1 1   39   14   15 o  227.188   78.099   1.6042   1.1029   1.6042   1.1029   0.0000   0.0000  227.188   78.099  ?   ?       ?      ? 
1 1 1   39   14   17 o  235.950   54.987   1.2057   0.6789   0.6862   0.7615   3.2169   1.4983  166.846   63.738  305.054   89.620 -138.2075 109.9743 
1 1 1   39   14   19 o  134.959   53.018   0.3725   0.5380   0.3725   0.5380   0.0000   0.0000  134.959   53.018  ?   ?       ?      ? 
1 1 1   39   14   21 o  102.339   37.413   0.2416   0.2566   0.2416   0.2566   0.0000   0.0000  102.339   37.413  ?   ?       ?      ? 
1 1 1   39   14   23 o  138.646   41.963   0.2362   0.2918   0.2115   0.3018   0.5928   1.1459  103.184   39.939  174.108   73.814 -70.92425 83.92652 
1 1 1   39   15    0 o  181.092   96.506   1.4144   1.2198   1.4144   1.2198   0.0000   0.0000  181.092   96.506  181.092   96.506 0.000000 0.000000 
1 1 1   39   15    2 o  231.364   45.705   0.9131   0.3901   0.6918   0.4111   2.9112   1.2352  157.601   47.106  305.128   78.338 -147.5268 91.41079 
1 1 1   39   15    4 o  167.808   45.505   0.5039   0.3263   0.4659   0.3384   1.0068   1.2321  132.536   43.226  203.081   80.090 -70.54532 91.01069 
1 1 1   39   15    6 o  153.858   50.884   0.6400   0.4683   0.6400   0.4683   0.0000   0.0000  153.858   50.884  ?   ?       ?      ? 
1 1 1   39   15    8 o  221.892   49.678   1.4063   0.5526   1.4063   0.5526   0.0000   0.0000  221.892   49.678  ?   ?       ?      ? 
1 1 1   39   15   10 o  301.401   50.387   2.1682   0.6495   1.6888   0.7217   4.2098   1.4893  239.238   59.038  363.565   81.669 -124.3270 100.7736 
1 1 1   39   15   12 o  240.363   53.257   1.1593   0.5426   0.8635   0.5811   3.1725   1.5161  174.631   56.629  306.095   90.213 -131.4641 106.5141 
1 1 1   39   15   14 o  148.914   52.410   0.5795   0.4981   0.5795   0.4981   0.0000   0.0000  148.914   52.410  ?   ?       ?      ? 
1 1 1   39   15   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   39   15   18 o  239.122   54.391   1.6888   0.6536   1.6888   0.6536   0.0000   0.0000  239.122   54.391  ?   ?       ?      ? 
1 1 1   39   15   20 o  151.020   44.117   0.4563   0.4142   0.5088   0.4374   0.0000   1.2892  139.153   49.099  162.886   73.312 -23.73312 88.23404 
1 1 1   39   15   22 o  195.193   45.734   1.0639   0.4129   1.0470   0.4392   1.1923   1.2100  189.737   45.594  200.649   79.294 -10.91238 91.46790 
1 1 1   39   16    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   39   16    3 f  117.217   38.136   0.3600   0.2634   0.3600   0.2634   0.0000   0.0000  117.217   38.136  ?   ?       ?      ? 
1 1 1   39   16    5 o  246.463   51.003   1.7347   0.6250   1.7347   0.6250   0.0000   0.0000  246.463   51.003  ?   ?       ?      ? 
1 1 1   39   16    7 o  167.395   46.115   0.4953   0.4360   0.3937   0.4733   1.0652   1.1209  133.508   50.427  201.283   77.223 -67.77518 92.23002 
1 1 1   39   16    9 o  310.507   46.910   1.8619   0.6400   1.1228   0.7042   5.3696   1.5342  196.127   62.209  424.886   70.231 -228.7591 93.82040 
1 1 1   39   16   11 o  243.224   49.448   1.3353   0.6267   0.6890   0.7255   3.2337   1.2435  166.531   62.535  319.918   76.613 -153.3869 98.89535 
1 1 1   39   16   13 o  158.118   56.309   0.6586   0.5766   0.6586   0.5766   0.0000   0.0000  158.118   56.309  ?   ?       ?      ? 
1 1 1   39   16   15 o  267.977   53.867   2.0937   0.7164   2.0937   0.7164   0.0000   0.0000  267.977   53.867  ?   ?       ?      ? 
1 1 1   39   16   17 o  257.337   61.485   2.3422   0.9881   2.6508   1.1952   1.6759   1.7562  282.968   79.089  231.707   94.163 51.26134 122.9702 
1 1 1   39   16   19 o  288.985   55.800   2.4527   0.6989   2.2436   0.7676   3.4655   1.6894  274.415   56.297  303.555   96.361 -29.13995 111.6006 
1 1 1   39   16   21 o  199.591   45.149   1.2862   0.4703   1.3901   0.5046   0.5978   1.2988  218.984   46.265  180.198   77.545 38.78606 90.29722 
1 1 1   39   17    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   39   17    2 o  251.775   87.960   2.0265   1.4017   0.0000   0.0000   2.0265   1.4017  ?   ?   251.775   87.960      ?      ? 
1 1 1   39   17    4 o  172.040   70.826   0.5251   1.0098   0.0000   0.0000   0.5251   1.0098  ?   ?   172.040   70.826      ?      ? 
1 1 1   39   17    6 o  160.911   43.405   0.5666   0.3556   0.5698   0.3749   0.5380   1.1217  144.173   45.351  177.649   74.022 -33.47623 86.81028 
1 1 1   39   17    8 o  115.999   35.303   0.1435   0.2470   0.1581   0.2592   0.0000   0.8124   94.633   36.910  137.365   60.189 -42.73186 70.60503 
1 1 1   39   17   10 o  261.351   50.679   1.3601   0.5661   0.9120   0.6149   3.8494   1.4495  178.732   58.271  343.970   82.933 -165.2376 101.3575 
1 1 1   39   17   12 o  179.242   47.885   0.8168   0.4951   0.8595   0.5335   0.5522   1.3292  173.152   54.042  185.332   79.065 -12.18008 95.76933 
1 1 1   39   17   14 o  148.360   48.755   0.6054   0.4302   0.6054   0.4302   0.0000   0.0000  148.360   48.755  ?   ?       ?      ? 
1 1 1   39   17   16 o  184.962   50.577   0.9994   0.4948   0.9994   0.4948   0.0000   0.0000  184.962   50.577  ?   ?       ?      ? 
1 1 1   39   17   18 o  145.878   44.371   0.2461   0.5596   0.3366   0.6545   0.0000   1.0791  139.829   57.230  151.926   67.822 -12.09656 88.74137 
1 1 1   39   17   20 o  187.202   47.686   0.9279   0.4655   0.8827   0.5030   1.1978   1.2291  172.948   52.201  201.456   79.819 -28.50714 95.37266 
1 1 1   39   18    1 o  203.749   52.756   0.9148   0.7891   0.0000   1.0625   2.0406   1.1786  154.432   68.206  253.066   80.503 -98.63361 105.5120 
1 1 1   39   18    3 o  276.494   61.199   2.4794   0.9794   1.9153   1.3292   3.1493   1.4485  245.184   85.656  307.803   87.433 -62.61928 122.3986 
1 1 1   39   18    5 o  274.680   61.270   2.4892   0.9667   2.2916   1.3263   2.7132   1.4120  264.299   85.539  285.060   87.743 -20.76056 122.5394 
1 1 1   39   18    7 o  180.875   47.611   0.9365   0.4488   0.9365   0.4488   0.0000   0.0000  180.875   47.611  ?   ?       ?      ? 
1 1 1   39   18    9 o  230.479   54.654   1.5561   0.6378   1.5561   0.6378   0.0000   0.0000  230.479   54.654  ?   ?       ?      ? 
1 1 1   39   18   11 o  126.621   44.601   0.4037   0.3608   0.4037   0.3608   0.0000   0.0000  126.621   44.601  ?   ?       ?      ? 
1 1 1   39   18   13 o  244.074   53.189   1.7431   0.6486   1.7431   0.6486   0.0000   0.0000  244.074   53.189  ?   ?       ?      ? 
1 1 1   39   18   15 o  167.193   62.900   0.7256   0.7347   0.7256   0.7347   0.0000   0.0000  167.193   62.900  ?   ?       ?      ? 
1 1 1   39   18   17 o  149.681   50.090   0.6225   0.4534   0.6225   0.4534   0.0000   0.0000  149.681   50.090  ?   ?       ?      ? 
1 1 1   39   18   19 o  158.036   43.319   0.5862   0.4044   0.5838   0.4389   0.5999   1.0417  145.300   49.277  170.772   71.259 -25.47250 86.63745 
1 1 1   39   19    0 o  157.469   89.358   1.0291   1.1208   1.0291   1.1208   0.0000   0.0000  157.469   89.358  157.469   89.358 0.000000 0.000000 
1 1 1   39   19    2 o  222.943   82.644   1.4890   1.2591   1.4890   1.2591   0.0000   0.0000  222.943   82.644  ?   ?       ?      ? 
1 1 1   39   19    4 f  126.713   55.306   0.0000   0.6801   0.0000   0.6801   0.0000   0.0000  126.713   55.306  ?   ?       ?      ? 
1 1 1   39   19    6 o  133.207   58.347   0.0000   0.7629   0.0000   0.7629   0.0000   0.0000  133.207   58.347  ?   ?       ?      ? 
1 1 1   39   19    8 o  154.981   48.795   0.6723   0.4339   0.6723   0.4339   0.0000   0.0000  154.981   48.795  ?   ?       ?      ? 
1 1 1   39   19   10 o  250.447   83.698   2.0771   1.2660   2.0771   1.2660   0.0000   0.0000  250.447   83.698  ?   ?       ?      ? 
1 1 1   39   19   12 o  190.728   44.650   0.4830   0.4188   0.1644   0.4539   2.3058   1.0859  114.785   47.396  266.671   75.685 -151.8857 89.30057 
1 1 1   39   19   14 o  160.465   51.047   0.7341   0.4739   0.7341   0.4739   0.0000   0.0000  160.465   51.047  ?   ?       ?      ? 
1 1 1   39   19   16 o  296.745   53.602   2.5869   0.7877   2.5869   0.7877   0.0000   0.0000  296.745   53.602  ?   ?       ?      ? 
1 1 1   39   19   18 o  223.139   57.526   1.4752   0.8069   1.0635   0.9690   2.4060   1.4571  190.306   72.089  255.972   89.666 -65.66608 115.0513 
1 1 1   39   20    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   39   20    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   39   20    5 o  148.331   44.000   0.2814   0.5713   0.4797   0.7459   0.0000   0.8885  154.645   61.884  142.018   62.565 12.62762 88.00026 
1 1 1   39   20    7 o  171.161   48.302   0.6569   0.6450   0.9247   0.7652   0.0000   1.1985  181.720   64.851  160.601   71.601 21.11894 96.60429 
1 1 1   39   20    9 f  238.393   51.979   1.2205   0.4744   1.0321   0.5000   2.9243   1.5033  188.244   50.579  288.543   90.823 -100.2990 103.9574 
1 1 1   39   20   11 o  386.278   69.910   5.6629   1.4100   6.2450   1.7867   4.7018   2.2956  435.944   82.744  336.612  112.707 99.33154 139.8192 
1 1 1   39   20   13 o  233.751   52.485   1.2261   0.5427   0.9368   0.5864   2.9524   1.4325  178.553   56.781  288.948   88.287 -110.3952 104.9700 
1 1 1   39   20   15 o  217.616   53.069   1.4096   0.5884   1.4096   0.5884   0.0000   0.0000  217.616   53.069  ?   ?       ?      ? 
1 1 1   39   20   17 o  149.370   48.647   0.6323   0.4286   0.6323   0.4286   0.0000   0.0000  149.370   48.647  ?   ?       ?      ? 
1 1 1   39   21    0 o  129.515   79.123   0.5363   1.0001   0.0000   0.0000   0.5363   1.0001  129.515   79.123  129.515   79.123 -0.000000 0.000000 
1 1 1   39   21    2 f  255.137   88.278   2.1994   1.4102   0.0000   0.0000   2.1994   1.4102  ?   ?   255.137   88.278      ?      ? 
1 1 1   39   21    4 o  231.429   85.781   1.7074   1.3565   0.0000   0.0000   1.7074   1.3565  ?   ?   231.429   85.781      ?      ? 
1 1 1   39   21    6 o  205.220   80.850   1.1650   1.2544   0.0000   0.0000   1.1650   1.2544  ?   ?   205.220   80.850      ?      ? 
1 1 1   39   21    8 f  152.194   67.690   0.0000   1.0644   0.0000   0.0000   0.0000   1.0644  ?   ?   152.194   67.690      ?      ? 
1 1 1   39   21   10 o  333.755   51.841   2.7430   0.7251   2.1438   0.8030   5.3907   1.6879  266.297   60.080  401.213   84.499 -134.9154 103.6812 
1 1 1   39   21   12 o  185.217   54.543   0.7737   0.8032   0.8358   0.9369   0.6016   1.5599  179.337   70.108  191.097   83.575 -11.75978 109.0867 
1 1 1   39   21   14 o  169.233   44.557   0.8007   0.4520   0.9106   0.4821  -0.0000   1.3012  175.912   50.592  162.553   73.360 13.35947 89.11397 
1 1 1   39   21   16 o  260.062   53.177   2.0135   0.6870   2.0135   0.6870   0.0000   0.0000  260.062   53.177  ?   ?       ?      ? 
1 1 1   39   22    1 o  187.882   53.585   0.8457   0.8048   1.0704   1.0704   0.5536   1.2205  196.370   75.435  179.394   76.125 16.97592 107.1700 
1 1 1   39   22    3 o  185.570   52.538   0.8084   0.7651   0.5217   1.0470   1.1367   1.1206  170.610   71.338  200.531   77.148 -29.92107 105.0760 
1 1 1   39   22    5 o  308.348   97.362   3.5225   1.7264   0.0000   0.0000   3.5225   1.7264  ?   ?   308.348   97.362      ?      ? 
1 1 1   39   22    7 o  303.568  103.184   3.6008   1.9244   0.0000   0.0000   3.6008   1.9244  ?   ?   303.568  103.184      ?      ? 
1 1 1   39   22    9 o  164.660   42.837   0.7378   0.3881   0.8169   0.4083   0.0000   1.2467  168.254   45.922  161.065   72.328 7.188461 85.67445 
1 1 1   39   22   11 o  189.729   48.270   0.7745   0.5123   0.4994   0.5746   1.8394   1.1305  144.882   55.362  234.576   79.088 -89.69478 96.53970 
1 1 1   39   22   13 o  220.752   54.267   1.2177   0.5703   1.0159   0.6148   2.4637   1.5277  183.786   58.106  257.719   91.669 -73.93221 108.5330 
1 1 1   39   23    0 o  101.626   66.661   0.0000   0.8721   0.0000   0.0000   0.0000   0.8721  101.626   66.661  101.626   66.661 -0.000000 0.000000 
1 1 1   39   23    2 o  295.593   61.820   2.9700   1.0869   1.6182   1.4753   4.5746   1.6074  225.609   88.036  365.576   86.813 -139.9670 123.6397 
1 1 1   39   23    4 o  172.383   49.800   0.5745   0.7292   1.0517   0.9866   0.0000   1.0825  192.265   72.762  152.501   68.014 39.76437 99.60003 
1 1 1   39   23    6 o  255.570   59.293   2.1500   0.9122   1.5092   1.2002   3.0263   1.4036  217.802   80.696  293.339   86.895 -75.53679 118.5856 
1 1 1   39   23    8 o  224.941   59.991   1.4713   0.9095   0.9714   1.1139   2.4708   1.5751  190.385   75.812  259.497   92.995 -69.11127 119.9814 
1 1 1   39   23   10 o  321.172  108.338   4.3706   2.1213   0.0000   0.0000   4.3706   2.1213  ?   ?   321.172  108.338      ?      ? 
1 1 1   39   23   12 o  325.837  104.400   4.3929   1.9795   0.0000   0.0000   4.3929   1.9795  ?   ?   325.837  104.400      ?      ? 
1 1 1   39   24    1 o  278.420   66.251   2.8230   1.1931   1.6709   1.6679   4.0306   1.7075  227.420   91.997  329.419   95.358 -101.9992 132.5013 
1 1 1   39   24    3 o  251.871   63.816   2.2719   1.0703   2.7168   1.4711   1.7715   1.5600  273.586   90.173  230.157   90.325 43.42848 127.6314 
1 1 1   39   24    5 o  294.033   64.619   3.0211   1.1699   1.5667   1.5620   4.8791   1.7656  221.784   89.271  366.281   93.452 -144.4972 129.2382 
1 1 1   39   24    7 o  299.577   66.343   3.3670   1.1385   3.0290   1.5716   3.7403   1.6515  283.829   93.188  315.325   94.453 -31.49579 132.6852 
1 1 1   39   24    9 o  199.011   52.873   1.0590   0.7495   0.4788   0.9732   1.9047   1.1749  162.575   68.425  235.447   80.623 -72.87265 105.7453 
1 1 1   39   25    0 f  137.864   86.706   0.5807   1.2900   0.0000   0.0000   0.5807   1.2900  137.864   86.706  137.864   86.706 -0.000000 0.000000 
1 1 1   39   25    2 o  239.396   61.546   2.0227   0.9861   2.2448   1.3679   1.7823   1.4229  250.408   86.925  228.385   87.153 22.02219 123.0921 
1 1 1   39   25    4 o  187.380   54.268   0.8948   0.8376   1.0950   1.0927   0.6096   1.3044  194.134   75.761  180.625   77.720 13.50894 108.5367 
1 1 1   39   25    6 o  217.727   79.539   1.5731   1.1594   1.5731   1.1594   0.0000   0.0000  217.727   79.539  ?   ?       ?      ? 
1 1 1   40    0    0 o  132.594   75.914   0.6148   0.8184   0.0000   0.0000   0.6148   0.8184  132.594   75.914  132.594   75.914 -0.000000 0.000000 
1 1 1   40    0    2 o  199.963   68.083   1.6729   0.8079   1.6455   1.2604   1.6920   1.0527  195.954   99.710  203.972   92.730 0.000000 0.000000 
1 1 1   40    0    4 o  151.564   57.554   0.9125   0.6692   0.3480   1.0780   1.2665   0.8536  126.557   79.457  176.571   83.287 0.000000 0.000000 
1 1 1   40    0    6 o  175.562   65.039   1.2498   0.7373   1.4708   1.2938   1.1436   0.8972  185.047   99.141  166.076   84.211 0.000000 0.000000 
1 1 1   40    0    8 o  109.345   46.536   0.2134   0.4340   0.0000   0.5127   0.7528   0.8153   80.369   52.137  138.320   77.098 -0.000000 0.000000 
1 1 1   40    0   10 o  221.080   63.728   1.9806   0.7475   1.5214   1.2960   2.2095   0.9149  187.137   99.557  255.022   79.583 0.000000 0.000000 
1 1 1   40    0   12 o  170.273   80.815   1.1852   0.8050   0.0000   0.0000   1.1852   0.8050  170.273   80.815  170.273   80.815 0.000000 0.000000 
1 1 1   40    0   14 o  172.400   78.296   1.1931   0.7504   0.0000   0.0000   1.1931   0.7504  172.400   78.296  172.400   78.296 0.000000 0.000000 
1 1 1   40    0   16 o  106.321   61.344   0.4047   0.5409   0.0000   0.0000   0.4047   0.5409  106.321   61.344  106.321   61.344 0.000000 0.000000 
1 1 1   40    0   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   40    0   20 o  101.493   43.525   0.3037   0.4191   0.4297   0.4985   0.0000   0.7739  106.402   59.908   96.583   63.157 -0.000000 0.000000 
1 1 1   40    0   22 o  103.935   45.209   0.2771   0.4088   0.4423   0.8284   0.2240   0.4700  118.343   72.162   89.527   54.482 0.000000 0.000000 
1 1 1   40    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   40    1    1 o  180.935   38.907   0.8320   0.4507   0.1439   0.6374   1.5199   0.6373  131.621   55.385  230.248   54.657 -98.62640 77.81343 
1 1 1   40    1    3 o  211.096   41.704   1.2847   0.4998   1.8225   0.6962   0.7126   0.7181  252.248   55.212  169.943   62.518 82.30475 83.40733 
1 1 1   40    1    5 o  376.655   43.003   4.0740   0.8014   3.3792   1.1389   4.7554   1.1278  338.225   67.855  415.084   52.846 -76.85980 86.00577 
1 1 1   40    1    7 o  178.859   37.233   0.8696   0.4261   1.4729   0.5704   0.1075   0.6411  227.892   50.052  129.826   55.136 98.06628 74.46573 
1 1 1   40    1    9 o  290.376   42.003   2.4488   0.6057   2.3245   0.8656   2.5681   0.8479  281.863   61.463  298.888   57.264 -17.02548 84.00505 
1 1 1   40    1   11 o  250.265   67.447   1.8844   0.8875   0.0000   0.0000   1.8844   0.8875  ?   ?   250.265   67.447      ?      ? 
1 1 1   40    1   13 o  155.988   40.758   0.5924   0.4326   0.6177   0.6132   0.5673   0.6105  157.791   57.812  154.185   57.469 3.605621 81.51680 
1 1 1   40    1   15 o  217.605   45.521   1.4161   0.5522   1.6678   0.7730   1.1537   0.7891  236.146   62.641  199.063   66.066 37.08264 91.04163 
1 1 1   40    1   17 o  139.782   53.717   0.4244   0.5429   0.4244   0.5429   0.0000   0.0000  139.782   53.717  ?   ?       ?      ? 
1 1 1   40    1   19 o  220.546   41.829   1.4554   0.4843   1.5117   0.6898   1.4006   0.6800  224.796   58.954  216.296   59.356 8.499023 83.65866 
1 1 1   40    1   21 o  243.154   53.179   1.8157   0.6655   2.0977   1.3547   1.7260   0.7640  248.524   86.492  237.785   61.896 10.73843 106.3582 
1 1 1   40    1   23 o  215.242   53.534   1.4794   0.7171   1.3129   1.2933   1.5533   0.8617  209.149   82.191  221.335   68.616 -12.18521 107.0679 
1 1 1   40    1   25 o  215.509   49.128   1.6233   0.6479   1.9119   0.7246   0.4728   1.4466  250.438   57.493  180.580   79.679 69.85710 98.25561 
1 1 1   40    2    0 o  349.301   68.520   3.6261   1.0953   3.6261   1.0953   0.0000   0.0000  349.301   68.520  349.301   68.520 0.000000 0.000000 
1 1 1   40    2    2 o  241.338   43.326   1.7125   0.5657   2.4006   0.7971   1.0139   0.8031  290.363   55.417  192.312   66.614 98.05125 86.65156 
1 1 1   40    2    4 o  243.042   44.950   1.7414   0.5697   1.5836   0.8123   1.8942   0.7992  231.648   65.364  254.438   61.723 -22.79005 89.90095 
1 1 1   40    2    6 o  228.981   43.492   1.5107   0.5260   1.8722   0.7844   1.2153   0.7091  253.033   61.005  204.930   62.005 48.10316 86.98416 
1 1 1   40    2    8 o  259.665   43.070   1.9691   0.5654   2.1554   0.8168   1.7976   0.7835  272.042   60.008  247.289   61.799 24.75272 86.13949 
1 1 1   40    2   10 f  278.906   44.189   2.5049   0.6799   3.6488   0.8894   0.8965   1.0547  365.330   47.354  192.483   74.621 172.8476 88.37835 
1 1 1   40    2   12 f  210.236   67.288   1.3007   0.8225   1.3007   0.8225   0.0000   0.0000  210.236   67.288  ?   ?       ?      ? 
1 1 1   40    2   14 o  384.588   50.902   4.5695   0.9644   3.2284   1.3860   5.8284   1.3429  315.674   83.945  453.503   57.595 -137.8288 101.8034 
1 1 1   40    2   16 o  250.036   49.325   1.9163   0.6599   2.1802   0.9614   1.6811   0.9075  266.103   69.509  233.968   70.003 32.13551 98.65018 
1 1 1   40    2   18 o  210.094   36.986   1.3006   0.5032   0.0000   0.7735   2.2549   0.6626  133.899   58.698  286.289   45.015 -152.3893 73.97169 
1 1 1   40    2   20 o  222.176   46.968   1.6875   0.6283   0.3950   1.2882   2.0910   0.7197  177.047   76.705  267.305   54.226 -90.25763 93.93620 
1 1 1   40    2   22 o  235.235   50.321   1.7807   0.6735   1.4126   0.9813   2.1087   0.9262  212.341   73.629  258.128   68.612 -45.78723 100.6423 
1 1 1   40    2   24 o  228.443   42.696   1.6455   0.5284   1.1234   0.7777   2.0931   0.7200  191.947   65.592  264.940   54.676 -72.99347 85.39191 
1 1 1   40    3    1 o  224.898   43.951   1.4788   0.5258   1.3953   0.7445   1.5618   0.7426  218.617   62.872  231.179   61.433 -12.56136 87.90273 
1 1 1   40    3    3 o  257.429   44.935   1.9464   0.5922   2.1464   0.8505   1.7582   0.8251  270.856   62.364  244.002   64.711 26.85367 89.87086 
1 1 1   40    3    5 o  197.298   43.321   1.1168   0.4918   0.9025   0.7168   1.3074   0.6760  182.372   62.948  212.224   59.535 -29.85185 86.64232 
1 1 1   40    3    7 o  227.827   46.098   1.4935   0.5748   1.1130   0.7698   1.9728   0.8640  197.827   65.232  257.827   65.153 -60.00064 92.19579 
1 1 1   40    3    9 o  245.742   45.159   1.7794   0.5711   1.7095   0.7532   1.8738   0.8759  241.282   60.758  250.203   66.828 -8.920746 90.31866 
1 1 1   40    3   11 o  263.480   50.709   2.1410   0.7100   1.8592   1.0531   2.3757   0.9614  245.753   75.800  281.207   67.378 -35.45386 101.4171 
1 1 1   40    3   13 f  206.130   45.253   1.1693   0.5498   1.7992   0.8351   0.6874   0.7304  244.755   65.197  167.506   62.776 77.24875 90.50665 
1 1 1   40    3   15 o  142.784   37.879   0.4496   0.3898   0.6735   0.5256   0.1762   0.5809  158.079   53.926  127.490   53.209 30.58962 75.75732 
1 1 1   40    3   17 o  265.051   72.050   2.1977   1.0076   0.0000   0.0000   2.1977   1.0076  ?   ?   265.051   72.050      ?      ? 
1 1 1   40    3   19 o  211.505   51.501   1.3915   0.7064   0.7386   1.2162   1.7239   0.8677  187.187   77.459  235.824   67.894 -48.63689 103.0025 
1 1 1   40    3   21 o  261.649   45.253   2.1436   0.6066   2.4125   0.8082   1.7967   0.9181  285.189   57.113  238.110   70.209 47.07895 90.50513 
1 1 1   40    3   23 f  205.870   42.246   1.2843   0.4789   1.5583   0.6924   1.0331   0.6631  225.991   58.971  185.748   60.509 40.24332 84.49218 
1 1 1   40    3   25 o  218.889   42.924   1.5017   0.5104   1.1635   0.7326   1.8207   0.7115  193.788   63.621  243.989   57.638 -50.20154 85.84713 
1 1 1   40    4    0 o  161.083   86.346   1.0727   0.9819   1.0727   0.9819   0.0000   0.0000  161.083   86.346  161.083   86.346 0.000000 0.000000 
1 1 1   40    4    2 o  200.211   47.420   0.8815   0.5605   0.4460   0.6710   1.8866   1.0193  150.824   59.224  249.598   74.076 -98.77425 94.84061 
1 1 1   40    4    4 o  211.098   62.991   1.2970   0.7356   1.2970   0.7356   0.0000   0.0000  211.098   62.991  ?   ?       ?      ? 
1 1 1   40    4    6 o  224.882   66.248   1.4950   0.8177   1.4950   0.8177   0.0000   0.0000  224.882   66.248  ?   ?       ?      ? 
1 1 1   40    4    8 o  312.970   55.679   3.2995   0.8998   3.7618   1.0591   2.1008   1.7055  366.816   56.161  259.125   96.159 107.6906 111.3574 
1 1 1   40    4   10 o  262.767   49.446   1.6441   0.6279   1.0800   0.7225   3.3832   1.2687  194.288   63.156  331.246   76.097 -136.9578 98.89110 
1 1 1   40    4   12 o  362.537   50.175   3.9632   0.9005   4.0650   1.3142   3.8731   1.2362  365.922   72.422  359.153   69.463 6.769348 100.3497 
1 1 1   40    4   14 o  233.664   67.348   1.6544   0.8534   0.0000   0.0000   1.6544   0.8534  ?   ?   233.664   67.348      ?      ? 
1 1 1   40    4   16 o  225.510   68.183   1.5499   0.8577   0.0000   0.0000   1.5499   0.8577  ?   ?   225.510   68.183      ?      ? 
1 1 1   40    4   18 o  238.015   48.743   1.7478   0.6296   1.8948   0.9287   1.6229   0.8563  246.508   70.006  229.523   67.842 16.98483 97.48569 
1 1 1   40    4   20 o  233.747   40.893   1.6470   0.4920   1.4005   0.7114   1.8730   0.6812  214.923   61.349  252.571   54.087 -37.64874 81.78672 
1 1 1   40    4   22 o  192.856   39.966   1.1114   0.4372   0.7580   0.6275   1.4448   0.6095  165.410   58.760  220.301   54.188 -54.89090 79.93215 
1 1 1   40    4   24 o  244.599   42.909   1.8508   0.5376   1.7501   0.7649   1.9490   0.7557  236.984   62.051  252.213   59.282 -15.22878 85.81750 
1 1 1   40    5    1 o  149.789   59.175   0.4263   0.6737   0.0000   0.0000   0.4263   0.6737  ?   ?   149.789   59.175      ?      ? 
1 1 1   40    5    3 o  193.707   48.166   1.0222   0.6089   0.6770   0.9264   1.2848   0.8080  177.100   69.573  210.315   66.630 -33.21448 96.33295 
1 1 1   40    5    5 o  197.230   44.576   1.1117   0.5128   1.2314   0.7169   0.9863   0.7339  206.019   62.346  188.440   63.725 17.57974 89.15131 
1 1 1   40    5    7 o  207.379   39.909   1.1772   0.4707   1.9220   0.6995   0.5611   0.6362  259.065   54.258  155.694   58.541 103.3712 79.81895 
1 1 1   40    5    9 o  240.738   49.009   1.8308   0.6222   1.2948   1.2246   2.0173   0.7224  216.447   81.251  265.028   54.825 -48.58099 98.01761 
1 1 1   40    5   11 o  361.585   51.568   3.6247   0.9586   0.0000   0.0000   3.6247   0.9586  ?   ?   361.585   51.568      ?      ? 
1 1 1   40    5   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   40    5   15 o  168.192   62.002   0.7242   0.7068   0.7242   0.7068   0.0000   0.0000  168.192   62.002  ?   ?       ?      ? 
1 1 1   40    5   17 o  259.669   47.989   2.0487   0.6594   2.6721   0.9730   1.5192   0.8967  296.939   65.492  222.398   70.161 74.54073 95.97784 
1 1 1   40    5   19 o  250.701   42.786   1.9056   0.5460   1.7189   0.8030   2.0663   0.7447  236.837   64.296  264.564   56.467 -27.72731 85.57151 
1 1 1   40    5   21 o  192.377   40.662   1.0947   0.4428   1.3886   0.6321   0.8113   0.6206  215.287   56.422  169.467   58.568 45.81990 81.32465 
1 1 1   40    5   23 o  180.655   35.100   0.8187   0.4096   1.7742   0.6030   0.0000   0.5581  246.831   49.243  114.479   50.031 132.3529 70.19939 
1 1 1   40    6    0 o  128.346   71.036   0.6405   0.6867   0.6405   0.6867   0.0000   0.0000  128.346   71.036  128.346   71.036 0.000000 0.000000 
1 1 1   40    6    2 o  155.543   41.325   0.5592   0.4296   0.4860   0.7673   0.5926   0.5186  158.746   63.012  152.340   53.484 6.405899 82.65038 
1 1 1   40    6    4 o  180.629   57.295   0.9163   0.5973   0.0000   0.0000   0.9163   0.5973  ?   ?   180.629   57.295      ?      ? 
1 1 1   40    6    6 o  296.429   57.686   2.5301   0.8475   0.0000   0.0000   2.5301   0.8475  ?   ?   296.429   57.686      ?      ? 
1 1 1   40    6    8 o  344.421   51.717   3.2250   0.8131   4.6384   1.5768   2.7131   0.9489  384.795   82.199  304.047   62.785 80.74847 103.4340 
1 1 1   40    6   10 o  299.815   56.520   2.5878   0.8393   0.0000   0.0000   2.5878   0.8393  ?   ?   299.815   56.520      ?      ? 
1 1 1   40    6   12 o  193.866   40.603   0.9422   0.4805   1.8282   0.7368   0.2865   0.6338  249.673   58.435  138.059   56.390 111.6144 81.20615 
1 1 1   40    6   14 o  224.325   45.791   1.4343   0.5949   2.2662   0.8851   0.7489   0.8034  275.019   63.831  173.632   65.673 101.3875 91.58199 
1 1 1   40    6   16 o  150.166   58.019   0.4997   0.6359   0.4997   0.6359   0.0000   0.0000  150.166   58.019  ?   ?       ?      ? 
1 1 1   40    6   18 o  182.491   40.618   0.8291   0.4295   1.5123   0.7236   0.4574   0.5338  223.902   61.141  141.080   53.489 82.82208 81.23589 
1 1 1   40    6   20 o  204.683   38.387   1.2110   0.4385   1.8487   0.6393   0.6442   0.6027  252.288   51.038  157.078   57.354 95.21053 76.77436 
1 1 1   40    6   22 o  164.060   37.691   0.7233   0.3788   1.1142   0.5661   0.4063   0.5097  193.209   54.579  134.911   51.996 58.29753 75.38183 
1 1 1   40    6   24 o  177.706   39.934   0.9277   0.4120   1.1358   0.6118   0.7550   0.5573  193.121   57.409  162.290   55.526 30.83031 79.86791 
1 1 1   40    7    1 o  213.042   43.296   1.3089   0.4971   1.4752   0.7514   1.1795   0.6628  224.070   62.739  202.014   59.681 22.05516 86.59114 
1 1 1   40    7    3 o  165.697   40.744   0.7159   0.4219   0.8012   0.6437   0.6517   0.5586  172.815   59.649  158.578   55.519 14.23688 81.48837 
1 1 1   40    7    5 o  178.767   44.869   0.8804   0.5269   0.0000   1.1114   1.1357   0.5985  159.003   70.015  198.531   56.134 -39.52768 89.73900 
1 1 1   40    7    7 o  304.934   51.358   2.8199   0.7521   2.8423   1.3505   2.8098   0.9054  297.929   84.353  311.939   58.609 -14.00934 102.7157 
1 1 1   40    7    9 o  259.276   42.934   1.9800   0.5588   1.9475   0.8498   2.0047   0.7416  255.432   64.655  263.121   56.508 -7.689041 85.86876 
1 1 1   40    7   11 o  354.594   48.893   3.7983   0.8031   3.5938   1.4400   3.8906   0.9675  334.179   83.929  375.008   50.180 -40.82977 97.78559 
1 1 1   40    7   13 o  230.774   47.821   1.5755   0.5954   1.8708   0.9426   1.3795   0.7680  246.569   70.697  214.978   64.414 31.59122 95.64116 
1 1 1   40    7   15 o  290.686   48.473   2.5569   0.7223   3.3693   1.0712   1.8795   0.9781  335.902   64.369  245.470   72.492 90.43121 96.94520 
1 1 1   40    7   17 o  338.885   74.601   3.6163   1.2646   3.6163   1.2646   0.0000   0.0000  338.885   74.601  ?   ?       ?      ? 
1 1 1   40    7   19 o  169.961   46.957   0.7024   0.5637   0.7819   0.6610   0.4904   1.0793  168.926   60.276  170.995   72.018 -2.069580 93.91432 
1 1 1   40    7   21 o  211.593   42.931   1.3697   0.4925   1.2768   0.7127   1.4546   0.6814  204.401   62.233  218.785   59.155 -14.38455 85.86246 
1 1 1   40    7   23 o  121.988   31.913   0.3500   0.2706   0.2056   0.4093   0.4622   0.3607  112.745   45.586  131.232   44.675 -18.48713 63.82689 
1 1 1   40    8    0 f  173.602   73.579   1.1573   0.6654   0.0000   0.0000   1.1573   0.6654  173.602   73.579  173.602   73.579 -0.000000 0.000000 
1 1 1   40    8    2 o  175.928   40.156   0.8510   0.4378   0.4370   0.6538   1.1875   0.5894  148.850   58.455  203.007   55.073 -54.15675 80.31229 
1 1 1   40    8    4 o  284.488   43.675   2.3004   0.6199   3.0904   0.9586   1.7326   0.8127  327.381   59.126  241.594   64.296 85.78748 87.34945 
1 1 1   40    8    6 o  225.574   40.980   1.5431   0.5092   0.8163   0.7687   2.1115   0.6798  177.676   64.786  273.472   50.202 -95.79591 81.96011 
1 1 1   40    8    8 o  434.053   44.336   5.1144   0.9402   6.3671   1.6640   4.5269   1.1396  465.926   69.464  402.180   55.113 63.74551 88.67206 
1 1 1   40    8   10 o  164.064   41.394   0.6954   0.4070   0.5944   0.8214   0.7283   0.4685  166.417   65.470  161.711   50.672 4.705887 82.78806 
1 1 1   40    8   12 o  192.531   41.659   1.0723   0.5091   0.2824   0.7901   1.6333   0.6658  148.408   62.005  236.654   55.654 -88.24622 83.31844 
1 1 1   40    8   14 o  232.354   43.066   1.3212   0.5985   3.0073   0.9643   0.2643   0.7634  319.355   60.952  145.352   60.858 174.0036 86.13264 
1 1 1   40    8   16 o  182.869   44.508   0.9310   0.4970   1.0669   0.7979   0.8448   0.6352  192.101   66.406  173.637   59.280 18.46463 89.01669 
1 1 1   40    8   18 o  200.461   43.073   1.1319   0.4794   1.5973   0.7746   0.8429   0.6104  228.574   63.591  172.348   58.114 56.22601 86.14600 
1 1 1   40    8   20 o  223.224   54.854   1.5911   0.7528   1.6181   0.9254   1.5383   1.2944  225.707   71.286  220.741   83.392 4.966080 109.7081 
1 1 1   40    8   22 o  281.535   42.098   2.4100   0.5905   2.2038   0.8350   2.6164   0.8353  267.370   61.959  295.701   57.008 -28.33032 84.19516 
1 1 1   40    9    1 o  255.973   43.759   1.9235   0.5751   2.3603   0.8308   1.5215   0.7970  285.434   58.576  226.512   65.025 58.92273 87.51772 
1 1 1   40    9    3 o  259.562   42.910   1.9821   0.5590   1.9165   0.8509   2.0319   0.7414  253.654   64.966  265.469   56.078 -11.81422 85.82092 
1 1 1   40    9    5 o  270.458   43.664   2.1756   0.5922   1.9507   0.8918   2.3530   0.7920  254.771   67.142  286.145   55.842 -31.37404 87.32883 
1 1 1   40    9    7 o  190.798   41.425   1.0539   0.4452   0.9408   0.6919   1.1337   0.5815  183.543   61.874  198.053   55.097 -14.50984 82.84988 
1 1 1   40    9    9 o  266.449   51.859   1.8616   0.7007   1.2573   0.8320   3.3359   1.2995  207.027   67.793  325.872   78.495 -118.8454 103.7174 
1 1 1   40    9   11 o  158.564   40.466   0.6336   0.3944   0.6040   0.7555   0.6447   0.4624  163.343   63.204  153.785   50.550 9.558029 80.93262 
1 1 1   40    9   13 o  230.999   47.995   1.6453   0.6088   1.4411   0.9554   1.7850   0.7900  218.149   72.706  243.850   62.674 -25.70049 95.99039 
1 1 1   40    9   15 o  272.820   49.337   2.1743   0.7089   3.3328   1.1247   1.4107   0.9132  330.338   68.474  215.302   71.048 115.0365 98.67368 
1 1 1   40    9   17 o  164.041   41.655   0.7250   0.4472   0.5490   0.7296   0.8310   0.5660  157.301   61.760  170.781   55.914 -13.47955 83.31075 
1 1 1   40    9   19 o  223.163   44.933   1.4447   0.5244   1.9258   0.8841   1.1837   0.6513  247.827   67.541  198.499   59.281 49.32864 89.86700 
1 1 1   40    9   21 o  236.466   50.789   1.9462   0.6860   2.2192   0.7855   1.0693   1.4077  271.420   58.050  201.512   83.356 69.90819 101.5776 
1 1 1   40    9   23 o  171.842   37.193   0.5718   0.4014   1.7000   0.6921   0.0000   0.4927  235.781   57.587  107.904   47.085 127.8769 74.38602 
1 1 1   40   10    0 o  105.208   58.394   0.4175   0.4655   0.4175   0.4655   0.0000   0.0000  105.208   58.394  105.208   58.394 0.000000 0.000000 
1 1 1   40   10    2 o  313.267   40.925   2.7853   0.6431   3.2352   0.9440   2.3956   0.8786  340.829   53.870  285.704   61.624 55.12448 81.85040 
1 1 1   40   10    4 o  203.645   38.178   1.0550   0.4423   2.0158   0.6988   0.4126   0.5714  265.572   53.039  141.717   54.930 123.8559 76.35683 
1 1 1   40   10    6 o  250.864   42.638   1.8316   0.5404   2.0651   0.8193   1.6517   0.7190  264.568   61.412  237.159   59.166 27.40880 85.27595 
1 1 1   40   10    8 o  198.794   42.566   1.1225   0.4628   1.3111   0.7483   1.0057   0.5888  210.616   63.691  186.972   56.488 23.64441 85.13191 
1 1 1   40   10   10 o  242.505   43.779   1.9517   0.6092   0.6395   1.0916   2.5453   0.7342  180.669   73.922  304.341   46.924 -123.6725 87.55786 
1 1 1   40   10   12 o  308.799   47.220   2.7372   0.6930   3.3817   1.2209   2.4309   0.8418  329.894   73.826  287.705   58.894 42.18896 94.43940 
1 1 1   40   10   14 o  225.913   43.368   1.3331   0.5730   2.6456   0.9060   0.4582   0.7397  298.374   61.113  153.452   61.549 144.9218 86.73546 
1 1 1   40   10   16 o  234.843   50.307   1.6845   0.6480   1.9921   1.0383   1.4883   0.8292  249.574   74.922  220.111   67.154 29.46350 100.6131 
1 1 1   40   10   18 o  215.890   44.776   1.4186   0.5137   1.4116   0.8857   1.4221   0.6306  213.354   69.949  218.427   55.917 -5.073013 89.55251 
1 1 1   40   10   20 o  110.790   31.368   0.1608   0.2747   0.3792   0.4218   0.0000   0.3621  127.412   47.714   94.168   40.731 33.24391 62.73502 
1 1 1   40   10   22 o  191.237   53.819   0.8675   0.8022   0.3157   1.0425   1.6683   1.2560  159.552   69.064  222.923   82.558 -63.37083 107.6372 
1 1 1   40   11    1 o  261.955   41.163   1.9944   0.5417   2.3567   0.7846   1.6645   0.7488  286.444   55.280  237.466   61.005 48.97758 82.32542 
1 1 1   40   11    3 o  332.945   58.179   3.5626   0.9352   3.6744   1.0893   3.2490   1.8239  360.121   58.833  305.770  100.387 54.35019 116.3570 
1 1 1   40   11    5 o  218.767   50.709   1.2740   0.6099   1.0137   0.7209   1.9298   1.1443  189.062   63.160  248.472   79.351 -59.41042 101.4190 
1 1 1   40   11    7 o  442.830   61.978   6.4049   1.2353   6.5875   1.4599   5.9446   2.3181  481.236   59.006  404.425  109.012 76.81046 123.9568 
1 1 1   40   11    9 o  323.992   40.176   2.9604   0.6513   3.4531   0.9930   2.5885   0.8628  350.115   55.164  297.869   58.425 52.24655 80.35298 
1 1 1   40   11   11 o  185.808   42.950   0.9764   0.4473   0.9708   0.8307   0.9787   0.5308  187.512   67.499  184.105   53.130 3.406708 85.90065 
1 1 1   40   11   13 o  173.629   41.969   0.8510   0.4540   0.6165   0.7438   0.9903   0.5733  162.621   62.771  184.637   55.725 -22.01613 83.93736 
1 1 1   40   11   15 o  166.253   42.018   0.6068   0.4419   1.1984   0.7767   0.3236   0.5373  200.300   65.498  132.206   52.651 68.09370 84.03669 
1 1 1   40   11   17 o  218.876   43.653   1.3414   0.5577   2.3319   0.8501   0.5931   0.7389  277.953   61.147  159.800   62.317 118.1526 87.30634 
1 1 1   40   11   19 o  238.144   48.748   1.7225   0.5934   2.0327   1.0877   1.5910   0.7080  247.740   77.135  228.548   59.627 19.19162 97.49518 
1 1 1   40   11   21 o  136.984   35.230   0.4761   0.3184   0.5072   0.4881   0.4531   0.4201  140.850   51.586  133.118   47.994 7.732025 70.45906 
1 1 1   40   12    0 o  151.763   88.255   0.8963   1.1334   0.0000   0.0000   0.8963   1.1334  151.763   88.255  151.763   88.255 -0.000000 0.000000 
1 1 1   40   12    2 o  255.448   42.856   1.8956   0.5565   2.3689   0.8336   1.5150   0.7474  284.992   58.840  225.903   62.325 59.08943 85.71231 
1 1 1   40   12    4 o  157.786   38.327   0.6628   0.3648   0.6052   0.6322   0.6915   0.4467  157.722   58.543  157.850   49.482 -0.1283722 76.65337 
1 1 1   40   12    6 o  196.809   41.391   1.1052   0.4382   1.2322   0.7224   1.0312   0.5512  204.601   62.725  189.018   54.021 15.58310 82.78119 
1 1 1   40   12    8 o  200.876   38.688   1.0896   0.4249   1.7462   0.6667   0.6403   0.5515  245.364   54.289  156.387   55.135 88.97754 77.37688 
1 1 1   40   12   10 o  204.598   45.346   1.0917   0.4904   1.7102   0.9308   0.8540   0.5770  235.448   70.994  173.749   56.436 61.69948 90.69247 
1 1 1   40   12   12 o  247.847   78.544   1.9675   1.1228   1.9675   1.1228   0.0000   0.0000  247.847   78.544  ?   ?       ?      ? 
1 1 1   40   12   14 o  190.602   43.127   0.8031   0.4955   1.8831   0.8631   0.2720   0.6052  247.180   66.473  134.024   54.964 113.1557 86.25380 
1 1 1   40   12   16 o  244.610   50.363   1.9018   0.6596   1.8317   1.1062   1.9405   0.8216  237.541   78.189  251.679   63.500 -14.13812 100.7259 
1 1 1   40   12   18 o  140.111   37.439   0.4372   0.3495   0.5973   0.6170   0.3616   0.4241  153.946   57.695  126.275   47.728 27.67082 74.87794 
1 1 1   40   12   20 o  403.993  110.660   6.6923   2.3662   0.0000   0.0000   6.6923   2.3662  ?   ?   403.993  110.660      ?      ? 
1 1 1   40   13    1 o  324.195   39.133   2.9895   0.6370   2.9657   0.9286   3.0107   0.8754  319.480   58.700  328.911   51.768 -9.431793 78.26598 
1 1 1   40   13    3 o  232.044   50.777   1.6636   0.6098   1.3137   1.3808   1.7484   0.6797  218.772   85.225  245.316   55.226 -26.54422 101.5536 
1 1 1   40   13    5 o  162.657   38.873   0.6611   0.3801   0.9948   0.6261   0.4663   0.4783  185.947   58.626  139.367   51.062 46.57904 77.74532 
1 1 1   40   13    7 o  136.539   36.129   0.3947   0.3176   0.5615   0.5862   0.3254   0.3778  152.040   56.382  121.038   45.192 31.00244 72.25783 
1 1 1   40   13    9 o  221.542   41.165   1.5100   0.4918   0.9866   0.7639   1.8805   0.6428  186.834   64.954  256.250   50.587 -69.41612 82.32940 
1 1 1   40   13   11 o  203.422   45.582   0.9705   0.5325   2.0711   0.9577   0.4781   0.6406  257.916   70.301  148.928   58.041 108.9880 91.16467 
1 1 1   40   13   13 o  189.417   69.895   0.9984   0.8986   0.9984   0.8986   0.0000   0.0000  189.417   69.895  ?   ?       ?      ? 
1 1 1   40   13   15 o  134.479   54.250   0.3193   0.5782   0.3193   0.5782   0.0000   0.0000  134.479   54.250  ?   ?       ?      ? 
1 1 1   40   13   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   40   13   19 o  140.496   62.359   0.0000   0.8989   0.0000   0.0000   0.0000   0.8989  ?   ?   140.496   62.359      ?      ? 
1 1 1   40   14    0 o  112.188   56.106   0.4996   0.3951   0.4996   0.3951   0.0000   0.0000  112.188   56.106  112.188   56.106 0.000000 0.000000 
1 1 1   40   14    2 o  355.564   40.906   3.6375   0.7127   4.6742   1.0356   2.7047   0.9824  411.009   49.010  300.119   65.507 110.8895 81.81152 
1 1 1   40   14    4 o  279.154   61.453   2.5475   1.0978   3.9167   1.5110   1.0164   1.5978  346.154   85.423  212.155   88.368 133.9984 122.9064 
1 1 1   40   14    6 o  370.969   59.325   3.9451   1.1315   3.9451   1.1315   0.0000   0.0000  370.969   59.325  ?   ?       ?      ? 
1 1 1   40   14    8 o  170.585   56.965   0.8146   0.5864   0.8146   0.5864   0.0000   0.0000  170.585   56.965  ?   ?       ?      ? 
1 1 1   40   14   10 o  180.226   59.034   0.9328   0.6309   0.9328   0.6309   0.0000   0.0000  180.226   59.034  ?   ?       ?      ? 
1 1 1   40   14   12 o  216.064   55.355   1.2609   0.7978   0.6974   1.0201   2.1485   1.2802  177.949   71.960  254.180   84.135 -76.23131 110.7110 
1 1 1   40   14   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   40   14   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   40   14   18 o  160.867   48.293   0.7479   0.4314   0.7479   0.4314   0.0000   0.0000  160.867   48.293  ?   ?       ?      ? 
1 1 1   40   14   20 o  180.177   51.365   0.9659   0.4990   0.9659   0.4990   0.0000   0.0000  180.177   51.365  ?   ?       ?      ? 
1 1 1   40   15    1 o  213.759   42.382   1.2804   0.4493   1.2804   0.4493   0.0000   0.0000  213.759   42.382  ?   ?       ?      ? 
1 1 1   40   15    3 o  166.905   44.681   0.7897   0.3910   0.7897   0.3910   0.0000   0.0000  166.905   44.681  ?   ?       ?      ? 
1 1 1   40   15    5 o  202.139   47.000   1.1674   0.4792   1.1674   0.4792   0.0000   0.0000  202.139   47.000  ?   ?       ?      ? 
1 1 1   40   15    7 f  313.021   68.901   3.0045   1.0788   3.0045   1.0788   0.0000   0.0000  313.021   68.901  ?   ?       ?      ? 
1 1 1   40   15    9 f  180.557   45.280   0.8937   0.4383   0.9465   0.4703   0.5451   1.2082  181.146   49.216  179.967   76.019 1.178589 90.55983 
1 1 1   40   15   11 o  354.208   43.402   2.4995   0.8154   0.2476   0.9508   8.7597   1.5852  155.168   66.550  553.248   55.732 -398.0804 86.80391 
1 1 1   40   15   13 o  182.705   58.959   0.9784   0.6305   0.9784   0.6305   0.0000   0.0000  182.705   58.959  ?   ?       ?      ? 
1 1 1   40   15   15 o  153.522   47.226   0.6697   0.4091   0.6697   0.4091   0.0000   0.0000  153.522   47.226  ?   ?       ?      ? 
1 1 1   40   15   17 o  253.762   55.491   1.9264   0.7038   1.9264   0.7038   0.0000   0.0000  253.762   55.491  ?   ?       ?      ? 
1 1 1   40   15   19 o  176.057   47.586   0.8102   0.4562   0.8358   0.4810   0.5809   1.4396  168.492   51.088  183.622   80.298 -15.13077 95.17186 
1 1 1   40   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   40   16    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   40   16    4 o  170.632   43.541   0.6304   0.3481   0.5757   0.3696   1.0602   1.0366  144.301   44.968  196.963   74.573 -52.66217 87.08217 
1 1 1   40   16    6 o  213.004   49.938   1.3303   0.5251   1.3657   0.5620   1.0875   1.4731  216.921   51.210  209.088   85.748 7.832947 99.87588 
1 1 1   40   16    8 o  272.641   61.304   2.3040   1.0222   1.1931   1.3340   3.8837   1.5907  209.166   83.067  336.117   90.180 -126.9507 122.6077 
1 1 1   40   16   10 o  209.698   49.925   1.1524   0.5039   1.0606   0.5464   1.6749   1.3035  190.102   53.592  229.294   84.249 -39.19264 99.84964 
1 1 1   40   16   12 o  271.531   45.405   1.0566   0.5223   0.4545   0.5603   5.0464   1.4423  141.849   54.558  401.213   72.595 -259.3641 90.81074 
1 1 1   40   16   14 o  158.098   49.796   0.7131   0.4518   0.7131   0.4518   0.0000   0.0000  158.098   49.796  ?   ?       ?      ? 
1 1 1   40   16   16 o  151.987   49.581   0.6527   0.4452   0.6527   0.4452   0.0000   0.0000  151.987   49.581  ?   ?       ?      ? 
1 1 1   40   16   18 o  171.628   45.445   0.6705   0.4029   0.5959   0.4322   1.1650   1.1132  145.994   48.903  197.263   76.612 -51.26939 90.88976 
1 1 1   40   17    1 o  237.946   59.376   1.7724   0.9477   2.4787   1.3232   1.0286   1.3578  272.195   85.132  203.696   82.791 68.49916 118.7511 
1 1 1   40   17    3 o  197.829   52.078   1.0364   0.7388   0.4817   1.0463   1.5879   1.0433  170.152   71.245  225.506   75.977 -55.35378 104.1553 
1 1 1   40   17    5 o  152.120   40.250   0.5002   0.2758   0.4963   0.2870   0.5480   0.9976  133.788   39.199  170.452   70.312 -36.66373 80.50005 
1 1 1   40   17    7 o  246.861   48.489   1.8688   0.5379   1.9008   0.5823   1.6832   1.4037  263.156   43.039  230.566   86.905 32.59009 96.97859 
1 1 1   40   17    9 o  283.373   57.888   2.5899   0.8041   2.5165   0.9130   2.8436   1.6979  287.655   63.442  279.091   96.847 8.564453 115.7765 
1 1 1   40   17   11 o  155.674   36.892   0.7443   0.3727   0.9780   0.3951  -1.1431   1.1227  185.345   42.382  126.002   60.397 59.34296 73.78403 
1 1 1   40   17   13 o  313.034   52.428   2.3223   0.6970   1.6965   0.7698   5.1708   1.6423  234.352   62.672  391.716   84.065 -157.3637 104.8556 
1 1 1   40   17   15 o  216.977   53.237   1.4047   0.5894   1.4047   0.5894   0.0000   0.0000  216.977   53.237  ?   ?       ?      ? 
1 1 1   40   17   17 o  283.917   79.950   2.7890   1.2166   2.7890   1.2166   0.0000   0.0000  283.917   79.950  ?   ?       ?      ? 
1 1 1   40   18    0 f  156.209   88.991   1.0261   1.1174   1.0261   1.1174   0.0000   0.0000  156.209   88.991  156.209   88.991 0.000000 0.000000 
1 1 1   40   18    2 o  237.867   60.186   1.7027   0.9532   0.9991   1.2549   2.6623   1.4654  198.724   80.005  277.009   89.937 -78.28569 120.3722 
1 1 1   40   18    4 o  236.052   60.082   1.7628   0.9249   1.4368   1.2169   2.2088   1.4234  217.320   81.109  254.783   88.660 -37.46341 120.1631 
1 1 1   40   18    6 o  208.600   48.549   1.0590   0.4033   0.9994   0.4217   1.6978   1.3800  186.915   44.521  230.285   86.289 -43.36981 97.09770 
1 1 1   40   18    8 o  193.538   47.852   1.0987   0.4978   1.1725   0.5319   0.5784   1.4124  199.928   51.448  187.148   80.698 12.78055 95.70354 
1 1 1   40   18   10 o  267.073   56.446   1.7752   0.7553   1.1050   0.8582   4.0773   1.5905  193.211   68.708  340.935   89.575 -147.7233 112.8914 
1 1 1   40   18   12 o  330.457   44.943   2.1421   0.6474   1.2086   0.7143   6.4354   1.5320  198.933   62.606  461.981   64.499 -263.0475 89.88696 
1 1 1   40   18   14 o  145.578   49.513   0.5840   0.4431   0.5840   0.4431   0.0000   0.0000  145.578   49.513  ?   ?       ?      ? 
1 1 1   40   18   16 o  236.581   52.317   1.6687   0.6195   1.6687   0.6195   0.0000   0.0000  236.581   52.317  ?   ?       ?      ? 
1 1 1   40   19    1 o  200.522   54.622   1.0972   0.8245   1.5523   1.1095   0.5362   1.2320  221.842   78.205  179.203   76.276 42.63846 109.2430 
1 1 1   40   19    3 o  199.364   53.111   1.0707   0.7710   0.5034   1.0832   1.6534   1.0978  171.476   72.180  227.253   77.929 -55.77655 106.2213 
1 1 1   40   19    5 o  166.158   47.622   0.4083   0.6255   0.0000   0.7807   1.1404   1.0454  133.464   58.727  198.852   74.984 -65.38873 95.24447 
1 1 1   40   19    7 o  220.895   41.751   0.7867   0.3628   0.5070   0.3859   2.9179   1.0653  137.184   46.208  304.605   69.552 -167.4218 83.50282 
1 1 1   40   19    9 o  212.891   48.168   1.3405   0.4582   1.3574   0.4825   1.1856   1.4640  217.859   44.579  207.923   85.402 9.935776 96.33662 
1 1 1   40   19   11 f  162.825   46.748   0.5387   0.3975   0.5338   0.4143   0.5962   1.4126  140.312   47.875  185.338   80.310 -45.02666 93.49693 
1 1 1   40   19   13 o  210.483   53.301   0.9866   0.5161   0.8020   0.5489   2.3961   1.5168  166.220   55.094  254.746   91.261 -88.52632 106.6022 
1 1 1   40   20    0 o  249.094  108.127   2.6741   1.4318   2.6741   1.4318   0.0000   0.0000  249.094  108.127  249.094  108.127 0.000000 0.000000 
1 1 1   40   20    2 o  150.589   45.276   0.2449   0.6169   0.5213   0.9000   0.0000   0.8473  163.180   66.985  137.997   60.931 25.18279 90.55167 
1 1 1   40   20    4 o  249.022   60.925   2.1404   0.9676   2.5027   1.3132   1.7100   1.4311  269.097   84.909  228.947   87.395 40.14963 121.8500 
1 1 1   40   20    6 o  131.904   41.156   0.0000   0.5334   0.0000   0.6803   0.0000   0.8597  125.291   54.983  138.516   61.255 -13.22464 82.31218 
1 1 1   40   20    8 o  183.560   45.967   0.8223   0.3847   0.7794   0.4058   1.2020   1.2076  164.263   46.147  202.857   79.512 -38.59416 91.93320 
1 1 1   40   20   10 o  295.750   49.100   1.8024   0.5562   1.3495   0.5960   4.8573   1.5479  212.015   54.404  379.485   81.752 -167.4703 98.19965 
1 1 1   40   20   12 o  189.123   51.230   0.7359   0.4834   0.5965   0.5132   1.8305   1.4384  148.652   53.105  229.594   87.624 -80.94183 102.4601 
1 1 1   40   21    1 f  262.797   63.440   2.4634   1.0332   2.1569   1.4373   2.7913   1.4862  247.874   88.834  277.720   90.592 -29.84531 126.8792 
1 1 1   40   21    3 o  211.213   56.527   1.3479   0.8421   1.0501   1.1303   1.7194   1.2625  194.631   76.726  227.794   83.033 -33.16252 113.0548 
1 1 1   40   21    5 o  196.059   54.330   1.0801   0.7883   1.0060   1.0287   1.1854   1.2270  189.855   73.670  202.263   79.873 -12.40852 108.6601 
1 1 1   40   21    7 o  157.250   64.640   0.4848   0.8395   0.4848   0.8395   0.0000   0.0000  157.250   64.640  ?   ?       ?      ? 
1 1 1   40   21    9 o  351.953   93.405   4.5791   1.7182   4.5791   1.7182   0.0000   0.0000  351.953   93.405  ?   ?       ?      ? 
1 1 1   40   22    0 o  132.993   82.734   0.5568   1.1415   0.5568   1.1415   0.0000   0.0000  132.993   82.734  132.993   82.734 0.000000 0.000000 
1 1 1   40   22    2 o  167.446   69.998   0.5431   1.0077   0.5431   1.0077   0.0000   0.0000  167.446   69.998  ?   ?       ?      ? 
1 1 1   40   22    4 o  244.380   84.069   2.0883   1.2781   2.0883   1.2781   0.0000   0.0000  244.380   84.069  ?   ?       ?      ? 
1 1 1   40   22    6 o  159.186   65.705   0.5048   0.8719   0.5048   0.8719   0.0000   0.0000  159.186   65.705  ?   ?       ?      ? 
1 1 1   40   22    8 o  114.221   50.020   0.0000   0.5604   0.0000   0.5604   0.0000   0.0000  114.221   50.020  ?   ?       ?      ? 
1 1 1   40   23    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   40   23    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   41    0    1 o  177.853   61.301   1.2107   0.7166   0.6044   0.9627   1.9641   1.0732  133.026   79.463  222.680   93.363 -0.000000 0.000000 
1 1 1   41    0    3 o  110.957   47.522   0.3455   0.5147   0.5466   0.6474   0.0000   0.8487  120.260   68.046  101.654   66.355 -0.000000 0.000000 
1 1 1   41    0    5 o  158.505   61.254   1.0277   0.6907   1.1175   1.1621   0.9786   0.8589  163.617   91.729  153.393   81.203 0.000000 0.000000 
1 1 1   41    0    7 o  142.677   52.799   0.5011   0.5367   1.5574   0.9462   0.0000   0.6517  195.593   87.955   89.762   58.436 0.000000 0.000000 
1 1 1   41    0    9 o  237.680   69.321   2.2141   0.8178   2.3770   1.3917   2.1282   1.0106  236.208  106.660  239.151   88.571 0.000000 0.000000 
1 1 1   41    0   11 o  306.388   70.619   3.6255   1.0238   4.0896   1.2816   2.8072   1.7019  363.242   78.204  249.533  117.612 -0.000000 0.000000 
1 1 1   41    0   13 o  325.906   83.938   3.4647   1.2156   0.0000   0.0000   3.4647   1.2156  325.906   83.938  325.906   83.938 0.000000 0.000000 
1 1 1   41    0   15 o  223.941   82.290   1.8571   0.8759   0.0000   0.0000   1.8571   0.8759  223.941   82.290  223.941   82.290 0.000000 0.000000 
1 1 1   41    0   17 o  296.673   94.003   3.1477   1.2613   3.1477   1.2613   0.0000   0.0000  296.673   94.003  296.673   94.003 -0.000000 0.000000 
1 1 1   41    0   19 o  257.200   70.725   2.5500   0.8511   2.9265   1.5203   2.3781   1.0271  259.514  111.331  254.887   87.257 0.000000 0.000000 
1 1 1   41    0   21 f  156.844   56.603   1.0949   0.6293   0.4430   1.1916   1.3470   0.7411  129.938   82.393  183.751   77.633 0.000000 0.000000 
1 1 1   41    1    0 o  110.330   61.943   0.4572   0.5309   0.4572   0.5309   0.0000   0.0000  110.330   61.943  110.330   61.943 0.000000 0.000000 
1 1 1   41    1    2 o  257.088   52.446   2.1603   0.7445   2.4929   0.8923   1.3981   1.3509  291.238   61.520  222.939   84.958 68.29898 104.8928 
1 1 1   41    1    4 o  420.891   45.098   5.1439   0.9443   6.0055   1.3605   4.3432   1.3116  461.135   57.387  380.647   69.585 80.48746 90.19618 
1 1 1   41    1    6 o  179.551   40.933   0.9141   0.4323   0.7970   0.6328   1.0166   0.5919  171.267   59.141  187.835   56.607 -16.56812 81.86553 
1 1 1   41    1    8 o  208.513   40.955   1.2845   0.4788   0.7763   0.6956   1.7422   0.6602  171.568   61.766  245.458   53.798 -73.88930 81.91043 
1 1 1   41    1   10 o  151.572   38.379   0.5859   0.3763   0.5850   0.4944   0.5872   0.5801  149.593   52.241  153.552   56.237 -3.959732 76.75758 
1 1 1   41    1   12 o  140.420   38.703   0.4095   0.4014   0.4263   0.5377   0.3882   0.6034  139.568   53.501  141.271   55.940 -1.702621 77.40562 
1 1 1   41    1   14 f  216.117   46.311   1.4067   0.5699   1.0671   0.7963   1.7632   0.8160  191.890   66.341  240.344   64.634 -48.45352 92.62111 
1 1 1   41    1   16 o  195.830   45.177   1.1379   0.5327   0.8648   0.7635   1.3968   0.7435  177.423   64.586  214.237   63.187 -36.81432 90.35444 
1 1 1   41    1   18 o  156.835   40.901   0.6375   0.4346   0.6601   0.6306   0.6170   0.5999  158.926   58.568  154.743   57.107 4.183182 81.80157 
1 1 1   41    1   20 o  279.506   51.059   1.9549   0.6704   4.1755   1.4022   1.2968   0.7634  354.516   78.959  204.495   64.759 150.0211 102.1189 
1 1 1   41    1   22 o  170.767   47.314   0.7231   0.5473   0.8865   1.0881   0.6678   0.6332  183.729   74.312  157.805   58.584 25.92406 94.62803 
1 1 1   41    2    1 o  180.105   42.792   0.8944   0.5269   0.0000   0.9017   1.3581   0.6493  144.597   63.382  215.614   57.511 -71.01660 85.58495 
1 1 1   41    2    3 o  251.265   45.091   1.8809   0.5869   2.1722   0.8404   1.6035   0.8199  271.238   61.660  231.291   65.810 39.94705 90.18276 
1 1 1   41    2    5 o  168.297   42.049   0.7502   0.4521   0.7520   0.6794   0.7488   0.6055  169.666   61.047  166.928   57.842 2.738068 84.09817 
1 1 1   41    2    7 o  180.930   40.736   0.9141   0.4311   1.1527   0.6329   0.7076   0.5888  198.760   58.206  163.100   57.007 35.65977 81.47260 
1 1 1   41    2    9 o  163.202   40.091   0.7161   0.4154   0.8365   0.5540   0.5615   0.6279  172.204   55.237  154.199   58.122 18.00581 80.18275 
1 1 1   41    2   11 o  225.730   45.121   1.5572   0.5458   1.3551   0.8766   1.6852   0.6975  212.358   69.588  239.101   57.457 -26.74324 90.24299 
1 1 1   41    2   13 o  163.873   40.959   0.6529   0.4628   1.1095   0.6508   0.1858   0.6583  194.122   59.542  133.624   56.260 60.49751 81.91773 
1 1 1   41    2   15 o  183.122   46.200   0.9364   0.5537   1.1148   0.7812   0.7564   0.7848  194.443   65.744  171.802   64.927 22.64124 92.40054 
1 1 1   41    2   17 o  217.486   46.519   1.4636   0.5660   1.3559   0.8232   1.5601   0.7794  209.928   67.333  225.044   64.206 -15.11682 93.03798 
1 1 1   41    2   19 o  206.878   58.763   1.2989   0.6543   0.0000   0.0000   1.2989   0.6543  ?   ?   206.878   58.763      ?      ? 
1 1 1   41    2   21 o  229.182   45.302   1.6677   0.5575   1.8191   0.7499   1.4807   0.8335  242.787   60.338  215.578   67.591 27.20879 90.60474 
1 1 1   41    3    0 o  137.622   70.023   0.7691   0.6216   0.0000   0.0000   0.7691   0.6216  137.622   70.023  137.622   70.023 -0.000000 0.000000 
1 1 1   41    3    2 o  206.033   42.166   1.2299   0.5021   0.6847   0.7188   1.7496   0.7017  166.975   62.335  245.089   56.800 -78.11406 84.33172 
1 1 1   41    3    4 o  184.010   42.006   0.9414   0.4616   0.6741   0.6389   1.2336   0.6678  162.792   59.108  205.229   59.701 -42.43636 84.01148 
1 1 1   41    3    6 o  281.609   48.152   2.3252   0.6977   1.6493   0.9174   3.2525   1.0745  232.724   70.551  330.495   65.551 -97.77161 96.30355 
1 1 1   41    3    8 o  184.458   42.346   0.9727   0.4607   1.0472   0.6407   0.8930   0.6629  190.164   59.203  178.753   60.561 11.41078 84.69120 
1 1 1   41    3   10 f  152.197   37.730   0.6054   0.3596   0.5894   0.5778   0.6155   0.4595  153.542   56.139  150.852   50.426 2.689880 75.46075 
1 1 1   41    3   12 o  179.641   43.876   0.9018   0.4888   0.9341   0.7490   0.8779   0.6451  182.730   64.274  176.552   59.743 6.178009 87.75187 
1 1 1   41    3   14 o  235.337   49.226   1.7102   0.6334   1.8456   0.9615   1.6065   0.8418  242.236   71.956  228.437   67.194 13.79941 98.45133 
1 1 1   41    3   16 o  164.322   58.112   0.7367   0.6131   0.0000   0.0000   0.7367   0.6131  ?   ?   164.322   58.112      ?      ? 
1 1 1   41    3   18 o  181.348   61.685   0.9608   0.6878   0.0000   0.0000   0.9608   0.6878  ?   ?   181.348   61.685      ?      ? 
1 1 1   41    3   20 o  171.951   40.966   0.8592   0.4335   0.7022   0.6292   1.0011   0.5981  160.895   58.623  183.007   57.239 -22.11230 81.93243 
1 1 1   41    4    1 o  141.133   52.343   0.4655   0.5052   0.4655   0.5052   0.0000   0.0000  141.133   52.343  ?   ?       ?      ? 
1 1 1   41    4    3 o  220.019   62.810   1.4369   0.7456   1.4369   0.7456   0.0000   0.0000  220.019   62.810  ?   ?       ?      ? 
1 1 1   41    4    5 f  191.815   61.619   1.0607   0.6892   1.0607   0.6892   0.0000   0.0000  191.815   61.619  ?   ?       ?      ? 
1 1 1   41    4    7 o  187.933   45.152   0.7411   0.5140   0.3079   0.6156   1.7386   0.9342  137.767   55.835  238.099   70.974 -100.3324 90.30412 
1 1 1   41    4    9 o  244.331   50.343   1.4296   0.6386   0.8379   0.7442   3.0828   1.2440  176.887   63.859  311.776   77.844 -134.8895 100.6860 
1 1 1   41    4   11 o  165.180   55.275   0.7561   0.5521   0.0000   0.0000   0.7561   0.5521  ?   ?   165.180   55.275      ?      ? 
1 1 1   41    4   13 o  172.862   58.746   0.8385   0.6238   0.0000   0.0000   0.8385   0.6238  ?   ?   172.862   58.746      ?      ? 
1 1 1   41    4   15 o  131.422   51.528   0.3464   0.5073   0.0000   0.0000   0.3464   0.5073  ?   ?   131.422   51.528      ?      ? 
1 1 1   41    4   17 o  187.355   45.363   1.0337   0.5253   0.9656   0.7996   1.0853   0.6967  183.924   66.223  190.786   62.015 -6.862091 90.72664 
1 1 1   41    4   19 o  219.834   44.040   1.4168   0.5178   1.9622   0.8305   1.0698   0.6624  250.998   64.122  188.669   60.385 62.32912 88.07979 
1 1 1   41    4   21 f  268.993   42.675   2.2269   0.5785   2.6420   0.8304   1.8354   0.8064  296.702   56.503  241.285   63.968 55.41763 85.34922 
1 1 1   41    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   41    5    2 o  162.830   62.337   0.6119   0.7294   0.0000   0.0000   0.6119   0.7294  ?   ?   162.830   62.337      ?      ? 
1 1 1   41    5    4 o  186.338   45.444   0.9667   0.5068   0.8792   0.9243   1.0043   0.6060  185.865   70.406  186.811   57.478 -0.9453888 90.88868 
1 1 1   41    5    6 o  365.693   52.459   3.6445   0.8709   5.4224   1.7016   3.0134   1.0138  412.957   83.026  318.430   64.143 94.52707 104.9174 
1 1 1   41    5    8 o  188.584   47.536   0.9414   0.5145   1.0089   1.1074   0.9229   0.5810  197.560   76.498  179.608   56.451 17.95189 95.07184 
1 1 1   41    5   10 o  286.318   61.277   2.6413   1.0597   1.3735   1.4545   4.0759   1.5472  221.053   87.069  351.583   86.246 -130.5301 122.5532 
1 1 1   41    5   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   41    5   14 o  235.858   70.755   1.7432   0.9263   1.7432   0.9263   0.0000   0.0000  235.858   70.755  ?   ?       ?      ? 
1 1 1   41    5   16 o  222.584   64.321   1.5241   0.7775   0.0000   0.0000   1.5241   0.7775  ?   ?   222.584   64.321      ?      ? 
1 1 1   41    5   18 o  146.169   38.197   0.5376   0.3892   0.2507   0.6386   0.7071   0.4909  134.217   55.882  158.120   52.089 -23.90298 76.39400 
1 1 1   41    5   20 o  158.589   38.035   0.6978   0.3725   0.8777   0.5477   0.5429   0.5081  172.621   54.877  144.557   52.679 28.06450 76.06902 
1 1 1   41    6    1 o  188.234   41.794   0.9946   0.4627   1.3382   0.6692   0.6799   0.6405  213.332   59.021  163.135   59.191 50.19655 83.58838 
1 1 1   41    6    3 o  295.030   51.832   2.7319   0.7533   2.5283   1.3305   2.8280   0.9138  278.590   85.078  311.470   59.230 -32.88013 103.6649 
1 1 1   41    6    5 o  252.735   45.560   2.1129   0.6750   0.6680   1.1589   2.8546   0.8304  184.725   75.942  320.744   50.355 -136.0190 91.11951 
1 1 1   41    6    7 o  175.507   40.971   0.8576   0.4254   0.9398   0.6558   0.7979   0.5589  181.934   60.217  169.080   55.574 12.85332 81.94209 
1 1 1   41    6    9 o  218.964   40.561   1.4675   0.4823   0.9121   0.7383   1.8811   0.6371  181.353   63.808  256.575   50.092 -75.22212 81.12151 
1 1 1   41    6   11 o  182.457   42.274   0.9737   0.4769   0.5464   0.7769   1.2321   0.6041  160.265   63.473  204.650   55.853 -44.38530 84.54824 
1 1 1   41    6   13 o  204.262   43.529   1.0853   0.5548   2.1075   0.8419   0.3009   0.7375  263.819   62.951  144.705   60.136 119.1139 87.05786 
1 1 1   41    6   15 o  110.838   48.184   0.0000   0.5118   0.0000   0.5118   0.0000   0.0000  110.838   48.184  ?   ?       ?      ? 
1 1 1   41    6   17 o  190.556   40.703   1.1028   0.4950   0.2570   0.7900   1.6496   0.6352  144.811   61.336  236.300   53.524 -91.48869 81.40585 
1 1 1   41    6   19 o  234.492   45.022   1.6200   0.5581   2.3398   0.8951   1.1621   0.7139  273.896   64.610  195.088   62.718 78.80759 90.04436 
1 1 1   41    6   21 o  175.174   42.347   0.8816   0.4472   1.0569   0.7313   0.7768   0.5653  186.350   63.605  163.999   55.925 22.35080 84.69452 
1 1 1   41    7    0 o  212.370   76.990   1.6301   0.7721   1.6301   0.7721   0.0000   0.0000  212.370   76.990  212.370   76.990 0.000000 0.000000 
1 1 1   41    7    2 o  296.318   44.377   2.5888   0.6553   3.0375   0.9600   2.1972   0.8968  322.362   60.139  270.275   65.273 52.08640 88.75402 
1 1 1   41    7    4 o  427.332   40.632   5.1421   0.8860   6.0662   1.3092   4.3613   1.2035  464.279   54.847  390.384   59.962 73.89438 81.26310 
1 1 1   41    7    6 o  209.941   43.851   1.2998   0.6131   0.0000   0.9713   2.1608   0.7905  148.547   65.431  271.335   58.399 -122.7875 87.70181 
1 1 1   41    7    8 o  230.391   42.570   1.6034   0.5152   1.3124   0.7694   1.8399   0.6936  209.580   64.814  251.202   55.208 -41.62242 85.13950 
1 1 1   41    7   10 o  185.123   41.889   0.9919   0.4511   1.0477   0.6404   0.9369   0.6356  189.435   59.222  180.810   59.258 8.625000 83.77859 
1 1 1   41    7   12 o  217.949   44.229   1.4863   0.5222   1.1170   0.9086   1.6685   0.6381  196.761   70.620  239.137   53.268 -42.37683 88.45721 
1 1 1   41    7   14 o  248.751   48.889   1.9176   0.6440   2.1476   0.9788   1.7422   0.8550  260.626   71.085  236.875   67.137 23.75046 97.77745 
1 1 1   41    7   16 o  114.357   32.775   0.1938   0.2910   0.2651   0.4801   0.1525   0.3659  123.476   49.566  105.239   42.897 18.23782 65.55096 
1 1 1   41    7   18 o  189.285   67.046   1.0643   0.8164   1.0643   0.8164   0.0000   0.0000  189.285   67.046  ?   ?       ?      ? 
1 1 1   41    7   20 o  176.580   41.961   0.9411   0.4682   0.5383   0.7727   1.1747   0.5884  156.194   62.817  196.966   55.649 -40.77191 83.92196 
1 1 1   41    8    1 o  174.247   42.570   0.8321   0.4698   0.9929   0.6366   0.6398   0.6962  185.878   59.170  162.615   61.220 23.26231 85.14096 
1 1 1   41    8    3 o  277.428   48.415   2.3489   0.6851   2.3553   0.9331   2.3414   1.0089  279.267   66.031  275.590   70.824 3.677002 96.82988 
1 1 1   41    8    5 o  216.598   38.380   1.3665   0.5070   0.3151   0.7498   2.2522   0.6882  147.131   60.847  286.064   46.794 -138.9327 76.75982 
1 1 1   41    8    7 o  259.505   50.413   1.7792   0.6396   3.0309   1.2426   1.3281   0.7459  308.175   78.276  210.834   63.552 97.34132 100.8264 
1 1 1   41    8    9 o  357.500   48.444   3.5504   0.8106   5.0011   1.4736   2.9209   0.9707  401.899   74.043  313.102   62.490 88.79785 96.88814 
1 1 1   41    8   11 o  128.479   35.712   0.2335   0.3107   0.5987   0.6140   0.1079   0.3602  155.214   57.675  101.745   42.132 53.46847 71.42476 
1 1 1   41    8   13 o  310.067   52.708   2.9327   0.8253   3.9916   1.3176   2.2489   1.0588  355.456   74.480  264.678   74.601 90.77768 105.4167 
1 1 1   41    8   15 o  182.010   43.341   0.9485   0.4753   1.1024   0.7357   0.8382   0.6227  192.292   63.789  171.727   58.692 20.56477 86.68209 
1 1 1   41    8   17 o  156.660   41.551   0.5936   0.4451   0.8200   0.7129   0.4490   0.5698  171.835   62.431  141.484   54.848 30.35158 83.10184 
1 1 1   41    8   19 o  221.875   54.632   1.6169   0.7446   1.6507   0.9029   1.5450   1.3166  225.893   70.271  217.857   83.669 8.036774 109.2634 
1 1 1   41    9    0 o  257.340   73.010   2.1744   0.8368   0.0000   0.0000   2.1744   0.8368  257.340   73.010  257.340   73.010 -0.000000 0.000000 
1 1 1   41    9    2 o  187.291   41.009   1.0232   0.4389   0.8542   0.6693   1.1508   0.5814  175.889   60.816  198.692   55.031 -22.80328 82.01830 
1 1 1   41    9    4 o  216.288   42.377   1.3624   0.4983   1.8095   0.7335   0.9792   0.6790  247.546   58.552  185.029   61.277 62.51669 84.75411 
1 1 1   41    9    6 f  238.907   43.235   1.6656   0.5327   2.0904   0.8177   1.3523   0.7022  264.764   61.285  213.049   61.001 51.71471 86.46931 
1 1 1   41    9    8 o  179.145   39.783   0.8374   0.4100   1.3310   0.6672   0.5379   0.5198  211.638   59.071  146.651   53.303 64.98679 79.56562 
1 1 1   41    9   10 f  204.394   44.784   1.3198   0.5441   0.6331   0.9896   1.6174   0.6514  174.162   70.719  234.625   54.967 -60.46266 89.56898 
1 1 1   41    9   12 o  185.270   43.583   0.9998   0.4716   0.9013   0.8368   1.0456   0.5710  181.895   67.382  188.644   55.296 -6.748260 87.16695 
1 1 1   41    9   14 o  212.974   45.252   1.2912   0.5560   2.0372   0.8614   0.7583   0.7280  256.727   65.153  169.221   62.817 87.50679 90.50379 
1 1 1   41    9   16 o  234.710   46.229   1.6219   0.6045   2.5451   0.9337   0.9557   0.7931  286.875   64.830  182.546   65.922 104.3298 92.45860 
1 1 1   41    9   18 o  129.937   36.529   0.2736   0.3420   0.5633   0.6199   0.1468   0.4101  151.068   57.555  108.806   45.000 42.26177 73.05832 
1 1 1   41   10    1 o  186.705   37.545   0.9794   0.4263   0.3086   0.6157   1.5968   0.5907  137.505   55.801  235.904   50.246 -98.39902 75.08920 
1 1 1   41   10    3 o  169.447   39.973   0.8018   0.4090   0.7398   0.6027   0.8546   0.5568  165.437   57.686  173.457   55.351 -8.020554 79.94567 
1 1 1   41   10    5 o  323.217   42.078   2.9702   0.6778   3.7870   1.0416   2.3701   0.8928  365.470   55.433  280.964   63.320 84.50674 84.15617 
1 1 1   41   10    7 o  182.705   40.403   0.9483   0.4134   1.0670   0.6649   0.8735   0.5279  190.929   60.435  174.480   53.640 16.44916 80.80585 
1 1 1   41   10    9 o  166.067   39.347   0.7651   0.3879   0.7730   0.6346   0.7603   0.4902  168.213   59.160  163.921   51.892 4.291840 78.69333 
1 1 1   41   10   11 o  206.081   42.721   0.9527   0.4813   2.2465   0.9016   0.4370   0.5693  270.540   65.517  141.622   54.845 128.9181 85.44296 
1 1 1   41   10   13 o  139.776   37.359   0.2620   0.3541   0.9185   0.6630   0.0000   0.4188  178.523   60.568  101.030   43.753 77.49315 74.71809 
1 1 1   41   10   15 o  198.372   43.971   1.0893   0.5175   1.7817   0.8090   0.6098   0.6733  239.530   64.332  157.214   59.961 82.31580 87.94290 
1 1 1   41   10   17 o  107.856   31.236   0.1534   0.2796   0.0000   0.4332   0.2629   0.3661  102.126   44.362  113.586   43.985 -11.45978 62.47104 
1 1 1   41   10   19 o  179.243   42.263   0.9222   0.4422   1.1570   0.7403   0.7920   0.5514  193.434   63.980  165.052   55.238 28.38237 84.52618 
1 1 1   41   11    0 o  136.115   65.350   0.7449   0.5279   0.0000   0.0000   0.7449   0.5279  136.115   65.350  136.115   65.350 -0.000000 0.000000 
1 1 1   41   11    2 o  194.180   41.474   1.1176   0.4652   0.7531   0.6995   1.4069   0.6231  169.441   61.798  218.919   55.331 -49.47708 82.94874 
1 1 1   41   11    4 o  233.126   41.320   1.5299   0.5076   2.3427   0.7911   0.9611   0.6618  283.264   56.306  182.989   60.490 100.2751 82.64018 
1 1 1   41   11    6 o  215.495   54.221   1.1796   0.6515   0.9455   0.7365   2.0219   1.3968  182.976   63.768  248.013   87.712 -65.03662 108.4421 
1 1 1   41   11    8 o  200.421   41.336   1.1318   0.4443   1.5075   0.7256   0.9065   0.5619  223.638   61.287  177.203   55.485 46.43492 82.67213 
1 1 1   41   11   10 o  348.283   43.329   3.4757   0.7379   6.3642   1.1532   1.4730   0.9603  478.654   46.862  217.913   72.895 260.7407 86.65813 
1 1 1   41   11   12 o  373.317   80.688   4.5626   1.5035   4.5626   1.5035   0.0000   0.0000  373.317   80.688  ?   ?       ?      ? 
1 1 1   41   11   14 o  143.031   39.632   0.4032   0.3892   0.6236   0.7338   0.3170   0.4591  160.709   62.261  125.353   49.055 35.35646 79.26434 
1 1 1   41   11   16 o  196.989   44.422   1.0626   0.5244   1.8069   0.8342   0.5762   0.6744  239.414   65.759  154.563   59.740 84.85135 88.84311 
1 1 1   41   11   18 o  212.215   48.817   1.3750   0.5944   1.7870   0.9837   1.1380   0.7460  232.129   73.513  192.301   64.251 39.82845 97.63361 
1 1 1   41   12    1 o  233.992   50.844   1.7389   0.6560   1.8676   0.7782   1.4228   1.2195  249.569   61.133  218.415   81.260 31.15373 101.6878 
1 1 1   41   12    3 o  148.072   37.398   0.5651   0.3581   0.5142   0.5571   0.6009   0.4674  146.670   54.851  149.473   50.852 -2.802872 74.79691 
1 1 1   41   12    5 o  226.039   41.655   1.4392   0.4899   2.0775   0.7849   1.0317   0.6271  264.289   59.231  187.789   58.586 76.50067 83.31097 
1 1 1   41   12    7 o  228.585   43.120   1.5899   0.5151   1.4486   0.7970   1.6913   0.6749  217.816   65.701  239.354   55.863 -21.53853 86.23972 
1 1 1   41   12    9 o  226.847   44.056   1.5643   0.5244   1.5517   0.8229   1.5729   0.6805  224.240   66.561  229.455   57.736 -5.215164 88.11255 
1 1 1   41   12   11 o  189.623   69.246   1.0284   0.8786   1.0284   0.8786   0.0000   0.0000  189.623   69.246  ?   ?       ?      ? 
1 1 1   41   12   13 o  141.148   38.008   0.4713   0.3595   0.3263   0.6998   0.5233   0.4191  142.420   58.831  139.876   48.138 2.543732 76.01560 
1 1 1   41   12   15 o  144.732   39.330   0.4569   0.3752   0.6344   0.7214   0.3911   0.4393  160.149   61.818  129.314   48.642 30.83502 78.66038 
1 1 1   41   12   17 o  311.960   51.637   3.0588   0.8322   4.6184   1.2990   1.9731   1.0838  382.625   68.550  241.295   77.244 141.3297 103.2749 
1 1 1   41   13    0 o  187.784   70.065   1.2868   0.6300   1.2868   0.6300   0.0000   0.0000  187.784   70.065  187.784   70.065 0.000000 0.000000 
1 1 1   41   13    2 o  146.910   38.776   0.5439   0.3615   0.0000   0.8750   0.6559   0.3970  141.050   62.116  152.770   46.432 -11.72021 77.55174 
1 1 1   41   13    4 o  180.205   44.676   0.7636   0.4321   1.3070   0.9617   0.6261   0.4836  208.445   72.857  151.965   51.728 56.47931 89.35286 
1 1 1   41   13    6 o  232.322   38.671   1.4110   0.4951   2.6384   0.7956   0.6354   0.6324  306.453   50.496  158.191   58.583 148.2615 77.34228 
1 1 1   41   13    8 o  178.486   38.836   0.8545   0.4113   1.3882   0.6258   0.4488   0.5457  216.113   55.905  140.860   53.921 75.25290 77.67162 
1 1 1   41   13   10 o  179.597   40.812   0.9074   0.4303   1.2166   0.6563   0.6743   0.5699  201.145   59.374  158.049   56.011 43.09566 81.62402 
1 1 1   41   13   12 o  197.965   42.996   1.2891   0.5138   0.3468   1.0339   1.5981   0.5921  162.081   69.453  233.849   50.705 -71.76823 85.99233 
1 1 1   41   13   14 o  163.574   63.495   0.6634   0.7644   0.6634   0.7644   0.0000   0.0000  163.574   63.495  ?   ?       ?      ? 
1 1 1   41   13   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   41   14    1 f  259.150   39.545   1.9708   0.5301   2.7573   0.7645   1.2426   0.7356  315.007   47.204  203.293   63.458 111.7140 79.08990 
1 1 1   41   14    3 o  175.519   40.708   0.8154   0.4555   1.3411   0.6607   0.3393   0.6287  211.683   58.672  139.355   56.445 72.32785 81.41508 
1 1 1   41   14    5 f  245.243   63.089   1.8359   0.8000   1.8359   0.8000   0.0000   0.0000  245.243   63.089  ?   ?       ?      ? 
1 1 1   41   14    7 o  168.208   57.962   0.7927   0.6077   0.7927   0.6077   0.0000   0.0000  168.208   57.962  ?   ?       ?      ? 
1 1 1   41   14    9 f  211.812   51.241   1.1205   0.6183   0.7279   0.7207   2.2148   1.2033  166.833   62.390  256.792   81.303 -89.95953 102.4829 
1 1 1   41   14   11 o   83.409   40.973  -1.1134   0.6079   0.0000   0.0000  -1.1134   0.6079  ?   ?    83.409   40.973      ?      ? 
1 1 1   41   14   13 o  405.884  111.007   6.7201   2.3832   0.0000   0.0000   6.7201   2.3832  ?   ?   405.884  111.007      ?      ? 
1 1 1   41   14   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   41   15    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   41   15    2 o  210.168   46.043   1.2657   0.4838   1.2657   0.4838   0.0000   0.0000  210.168   46.043  ?   ?       ?      ? 
1 1 1   41   15    4 o  206.361   48.905   1.2355   0.5109   1.2355   0.5109   0.0000   0.0000  206.361   48.905  ?   ?       ?      ? 
1 1 1   41   15    6 o  387.344  112.427   6.0473   2.3707   0.0000   0.0000   6.0473   2.3707  ?   ?   387.344  112.427      ?      ? 
1 1 1   41   15    8 o  178.596   45.780   0.9192   0.4692   1.0336   0.4976   0.0000   1.4103  187.843   50.453  169.348   76.406 18.49509 91.56091 
1 1 1   41   15   10 o  193.851   45.235   1.2251   0.5115   1.4197   0.5506  -0.0000   1.3816  220.368   49.771  167.334   75.549 53.03387 90.46980 
1 1 1   41   15   12 o  215.816   47.427   0.8443   0.4618   0.5061   0.4992   2.8500   1.2157  141.481   52.116  290.151   79.254 -148.6701 94.85340 
1 1 1   41   15   14 o  129.415   46.812   0.4241   0.4002   0.4241   0.4002   0.0000   0.0000  129.415   46.812  ?   ?       ?      ? 
1 1 1   41   16    1 o  201.921   51.984   1.0587   0.7872   1.9967   1.0811   0.0000   1.1485  247.095   76.899  156.747   69.971 90.34744 103.9682 
1 1 1   41   16    3 o  259.346   41.489   0.9518   0.3905   0.5944   0.4110   4.2711   1.2525  146.408   47.635  372.285   67.943 -225.8773 82.97784 
1 1 1   41   16    5 o  187.286   45.137   0.9167   0.3949   0.8912   0.4204   1.1074   1.1496  175.743   45.998  198.828   77.677 -23.08534 90.27481 
1 1 1   41   16    7 o  197.058   50.499   0.9062   0.4789   0.7961   0.5109   1.7029   1.3740  166.174   53.017  227.942   85.964 -61.76776 100.9982 
1 1 1   41   16    9 o  298.945   53.250   3.1764   0.7148   3.3424   0.7803   2.3092   1.7833  346.962   43.740  250.928   97.102 96.03441 106.4992 
1 1 1   41   16   11 o  259.322   47.915   1.0479   0.5351   0.4887   0.5752   4.6463   1.4592  143.925   55.296  374.719   78.266 -230.7941 95.82945 
1 1 1   41   16   13 o  207.566   41.772   1.5811   0.5569   1.9810   0.5961  -1.1675   1.5626  266.336   43.532  148.797   71.305 117.5385 83.54303 
1 1 1   41   17    0 f   98.134   64.299   0.0000   0.8081   0.0000   0.0000   0.0000   0.8081   98.134   64.299   98.134   64.299 -0.000000 0.000000 
1 1 1   41   17    2 o  309.271   52.554   2.9579   1.1020   6.0333   1.5738   0.0000   1.5435  443.735   68.987  174.807   79.299 268.9286 105.1078 
1 1 1   41   17    4 o  384.839   70.421   5.6740   1.4461   6.7320   1.9653   4.4250   2.1353  441.745   89.600  327.932  108.667 113.8132 140.8428 
1 1 1   41   17    6 o  285.768   52.069   2.2221   0.5886   2.0246   0.6348   3.4324   1.5718  264.967   48.383  306.570   92.216 -41.60355 104.1375 
1 1 1   41   17    8 o  184.178   49.370   0.8209   0.4721   0.7756   0.5018   1.1703   1.3935  163.833   52.570  204.522   83.582 -40.68933 98.73985 
1 1 1   41   17   10 o  234.408   51.854   1.2208   0.4745   1.0229   0.5008   2.9570   1.4835  185.781   50.920  283.035   90.346 -97.25398 103.7076 
1 1 1   41   17   12 o  190.093   51.955   0.5358   0.4378   0.3717   0.4569   2.3775   1.5304  128.342   49.287  251.845   91.477 -123.5035 103.9103 
1 1 1   41   18    1 o  197.730   55.136   1.0439   0.8463   1.5638   1.2068   0.5408   1.1872  219.949   81.027  175.511   74.795 44.43810 110.2712 
1 1 1   41   18    3 o  195.124   52.589   1.0699   0.7591   1.5194   1.0394   0.5560   1.1114  217.361   75.756  172.888   72.962 44.47321 105.1776 
1 1 1   41   18    5 o  268.076   53.198   2.3166   0.9824   4.3443   1.3454   0.0000   1.4380  367.174   73.828  168.978   76.612 198.1960 106.3951 
1 1 1   41   18    7 o  221.550   59.785   1.4690   0.9342   0.9280   1.1841   2.3609   1.5203  189.422   77.189  253.678   91.316 -64.25566 119.5691 
1 1 1   41   18    9 o  300.194   66.340   3.6274   1.2248   4.3524   1.5459   2.4054   2.0071  351.407   86.217  248.981  100.850 102.4267 132.6804 
1 1 1   41   19    0 o  185.646   99.084   1.6182   1.2877   0.0000   0.0000   1.6182   1.2877  185.646   99.084  185.646   99.084 -0.000000 0.000000 
1 1 1   41   19    2 o  196.702   53.741   1.0436   0.7891   0.5249   1.0641   1.6776   1.1764  168.993   71.359  224.411   80.375 -55.41856 107.4814 
1 1 1   41   19    4 o  182.615   52.362   0.8040   0.7708   0.5030   1.0537   1.1506   1.1305  167.458   70.876  197.773   77.094 -30.31532 104.7231 
1 1 1   41   19    6 o  207.759   55.957   1.2978   0.8193   0.9684   1.0612   1.7839   1.2891  187.376   74.190  228.143   83.790 -40.76755 111.9145 
1 1 1   41   19    8 o  285.925   62.940   3.1860   1.1290   4.1133   1.4638   1.8243   1.7738  343.038   83.731  228.811   93.995 114.2276 125.8807 
1 1 1   41   20    1 o  230.529   55.949   1.7011   0.8954   0.5434   1.2784   2.8159   1.2545  177.099   76.570  283.960   81.599 -106.8609 111.8987 
1 1 1   41   20    3 o  198.088   54.806   1.0805   0.8304   0.5285   1.1275   1.7348   1.2277  170.712   72.824  225.464   81.925 -54.75150 109.6129 
1 1 1   42    0    0 o  156.838   84.472   0.9696   0.9440   0.9696   0.9440   0.0000   0.0000  156.838   84.472  156.838   84.472 0.000000 0.000000 
1 1 1   42    0    2 o  120.309   50.660   0.4905   0.5535   0.3483   0.8450   0.5973   0.7326  115.425   71.529  125.192   71.759 0.000000 0.000000 
1 1 1   42    0    4 o  243.718   70.998   2.5121   0.9460   2.9326   1.2131   1.8596   1.5112  286.754   93.042  200.682  107.265 -0.000000 0.000000 
1 1 1   42    0    6 o  206.024   66.624   1.8152   0.7806   1.5808   1.3451   1.9343   0.9585  187.001  100.798  225.046   87.148 0.000000 0.000000 
1 1 1   42    0    8 o  285.177   75.322   3.0441   0.9914   3.7016   1.6894   2.6989   1.2243  303.293  115.258  267.060   96.999 0.000000 0.000000 
1 1 1   42    0   10 o  191.663   99.793   1.6679   1.2812   0.0000   0.0000   1.6679   1.2812  191.663   99.793  191.663   99.793 -0.000000 0.000000 
1 1 1   42    0   12 o  219.221   87.528   1.8806   0.9556   0.0000   0.0000   1.8806   0.9556  219.221   87.528  219.221   87.528 0.000000 0.000000 
1 1 1   42    0   14 o  141.739   72.037   0.8420   0.6574   0.8420   0.6574   0.0000   0.0000  141.739   72.037  141.739   72.037 -0.000000 0.000000 
1 1 1   42    0   16 o  159.477   76.181   1.0669   0.7165   1.0669   0.7165   0.0000   0.0000  159.477   76.181  159.477   76.181 -0.000000 0.000000 
1 1 1   42    0   18 o  160.484   76.913   1.0915   0.7309   1.0915   0.7309   0.0000   0.0000  160.484   76.913  160.484   76.913 -0.000000 0.000000 
1 1 1   42    1    1 o  229.836   44.915   1.5984   0.5581   1.9436   0.7868   1.2490   0.7917  255.020   60.857  204.652   66.073 50.36780 89.82909 
1 1 1   42    1    3 o  228.777   42.658   1.5608   0.5472   0.8155   0.7718   2.3142   0.7759  175.673   64.784  281.880   55.515 -106.2072 85.31690 
1 1 1   42    1    5 o  193.962   41.620   1.0832   0.4770   1.5484   0.6749   0.6191   0.6741  228.508   57.496  159.415   60.191 69.09338 83.23956 
1 1 1   42    1    7 o  148.265   38.424   0.5447   0.3870   0.4103   0.5642   0.6641   0.5317  139.786   54.472  156.743   54.208 -16.95723 76.84814 
1 1 1   42    1    9 o  245.152   47.000   1.7931   0.6149   1.3035   0.8101   2.4586   0.9445  207.304   66.827  283.001   66.107 -75.69618 93.99966 
1 1 1   42    1   11 o  180.413   38.282   0.8845   0.4611   1.6125   0.6226   0.0000   0.6862  234.467   52.908  126.360   55.343 108.1065 76.56461 
1 1 1   42    1   13 o  279.871   47.222   2.4537   0.7315   1.3112   1.0314   3.6097   1.0375  207.198   75.122  352.543   57.239 -145.3453 94.44386 
1 1 1   42    1   15 o  153.865   38.998   0.4958   0.4290   1.1018   0.6395   0.0000   0.5784  191.236   59.080  116.493   50.921 74.74281 77.99654 
1 1 1   42    1   17 o  224.583   46.717   1.5912   0.5793   1.3414   0.7980   1.8695   0.8422  206.532   66.298  242.633   65.838 -36.10043 93.43477 
1 1 1   42    2    0 o  154.201   72.193   0.9618   0.6401   0.0000   0.0000   0.9618   0.6401  154.201   72.193  154.201   72.193 -0.000000 0.000000 
1 1 1   42    2    2 o  198.801   43.471   1.1666   0.4899   1.2616   0.7048   1.0778   0.6814  205.732   61.723  191.871   61.230 13.86076 86.94163 
1 1 1   42    2    4 o  237.828   46.040   1.7249   0.5794   1.7387   0.8120   1.7107   0.8269  239.028   64.559  236.628   65.657 2.399231 92.08019 
1 1 1   42    2    6 o  203.543   47.227   1.2033   0.5826   1.6191   0.8556   0.8438   0.7955  229.268   67.828  177.818   65.733 51.44998 94.45351 
1 1 1   42    2    8 o  228.756   49.107   1.6402   0.6434   1.2504   0.9529   1.9667   0.8721  204.892   72.450  252.619   66.310 -47.72704 98.21429 
1 1 1   42    2   10 o  176.539   40.848   0.8997   0.4264   0.8729   0.6361   0.9216   0.5747  175.006   59.324  178.071   56.170 -3.065048 81.69649 
1 1 1   42    2   12 o  172.788   43.184   0.8262   0.4730   0.9181   0.7370   0.7618   0.6169  179.664   63.694  165.911   58.330 13.75281 86.36733 
1 1 1   42    2   14 o  222.048   45.477   1.5270   0.5822   0.9122   0.8312   2.1192   0.8158  180.726   67.118  263.369   61.384 -82.64285 90.95467 
1 1 1   42    2   16 o  136.378   53.657   0.3940   0.5518   0.0000   0.0000   0.3940   0.5518  ?   ?   136.378   53.657      ?      ? 
1 1 1   42    2   18 f  210.262   71.223   1.4269   0.9168   0.0000   0.0000   1.4269   0.9168  ?   ?   210.262   71.223      ?      ? 
1 1 1   42    3    1 o  270.278   42.285   2.1717   0.6252   0.9325   0.8677   3.5099   0.9017  185.563   68.640  354.993   49.403 -169.4298 84.56998 
1 1 1   42    3    3 o  149.960   42.587   0.3938   0.4965   0.6352   0.7768   0.2271   0.6456  165.098   64.030  134.822   56.166 30.27672 85.17355 
1 1 1   42    3    5 o  187.746   45.130   1.0143   0.5177   0.9979   0.6883   1.0356   0.7856  185.722   61.702  189.770   65.877 -4.048157 90.26037 
1 1 1   42    3    7 o  252.342   42.816   1.8812   0.5576   2.5373   0.8305   1.3426   0.7524  293.953   57.009  210.731   63.896 83.22153 85.63121 
1 1 1   42    3    9 f  214.190   42.782   1.3761   0.5027   1.7352   0.7170   1.0291   0.7049  240.848   58.490  187.531   62.450 53.31642 85.56358 
1 1 1   42    3   11 o  222.873   40.170   1.5038   0.4868   0.8861   0.6968   2.0927   0.6804  176.858   62.005  268.889   51.087 -92.03084 80.34020 
1 1 1   42    3   13 o  177.781   61.614   0.9102   0.6871   0.0000   0.0000   0.9102   0.6871  ?   ?   177.781   61.614      ?      ? 
1 1 1   42    3   15 o  132.602   51.838   0.3721   0.5122   0.0000   0.0000   0.3721   0.5122  ?   ?   132.602   51.838      ?      ? 
1 1 1   42    3   17 o  208.879   47.478   1.3896   0.5836   1.1987   0.8755   1.5421   0.7828  196.857   69.462  220.901   64.743 -24.04448 94.95586 
1 1 1   42    4    0 o  138.631   76.905   0.7820   0.8069   0.7820   0.8069   0.0000   0.0000  138.631   76.905  138.631   76.905 0.000000 0.000000 
1 1 1   42    4    2 o  198.445   49.760   1.1392   0.6453   0.8735   0.9569   1.3609   0.8740  184.898   71.247  211.991   69.485 -27.09303 99.52033 
1 1 1   42    4    4 o  291.133   60.095   2.8245   0.9380   2.8593   1.5505   2.8044   1.1780  286.473   92.463  295.794   76.787 -9.321564 120.1899 
1 1 1   42    4    6 o  241.781   59.229   1.8202   0.9599   2.7525   1.3566   0.8856   1.3583  285.683   85.612  197.879   81.870 87.80402 118.4576 
1 1 1   42    4    8 o  217.488   57.238   1.4280   0.8802   1.8207   1.1692   0.9140   1.3374  237.295   80.429  197.681   81.460 39.61469 114.4751 
1 1 1   42    4   10 o  252.838   51.590   1.9369   0.6315   2.2319   1.3337   1.8517   0.7170  256.306   85.908  249.371   57.148 6.934921 103.1796 
1 1 1   42    4   12 o  337.036   53.278   3.2462   0.9232   0.0000   0.0000   3.2462   0.9232  ?   ?   337.036   53.278      ?      ? 
1 1 1   42    4   14 f  224.653   47.576   1.5602   0.5980   1.9712   0.8920   1.2247   0.8059  249.438   67.783  199.867   66.778 49.57106 95.15174 
1 1 1   42    4   16 o  291.082   48.429   2.7400   0.7766   1.4814   1.0995   3.9930   1.0971  214.219   77.578  367.946   57.993 -153.7275 96.85803 
1 1 1   42    5    1 o  248.217   83.790   2.0131   1.2689   0.0000   0.0000   2.0131   1.2689  ?   ?   248.217   83.790      ?      ? 
1 1 1   42    5    3 o  180.323   49.220   0.7223   0.6614   0.2880   0.8849   1.2720   0.9956  153.467   64.953  207.178   73.970 -53.71059 98.44001 
1 1 1   42    5    5 o  207.985   56.166   1.1428   0.8502   0.6309   1.1401   1.7840   1.2760  180.239   74.824  235.732   83.785 -55.49326 112.3318 
1 1 1   42    5    7 o  203.074   55.160   1.1489   0.8146   1.3669   1.1434   0.9241   1.1608  213.310   78.816  192.838   77.191 20.47220 110.3191 
1 1 1   42    5    9 o  169.426   45.707   0.7306   0.5111   0.8070   0.5815   0.4711   1.0717  168.887   56.726  169.965   71.683 -1.078171 91.41322 
1 1 1   42    5   11 o  281.618   52.224   2.1859   0.7222   1.5529   0.8523   3.7968   1.3596  222.911   68.099  340.325   79.195 -117.4137 104.4477 
1 1 1   42    5   13 o  192.777   44.034   1.0777   0.5179   1.5494   0.7532   0.6545   0.7134  224.009   62.845  161.544   61.696 62.46510 88.06766 
1 1 1   42    5   15 o  176.230   39.174   0.8459   0.4707   0.0000   0.7039   1.5299   0.6330  126.720   55.761  225.740   55.036 -99.01980 78.34752 
1 1 1   42    5   17 o  164.124   41.149   0.7542   0.4648   0.2562   0.7503   1.0645   0.5922  140.743   59.702  187.504   56.646 -46.76109 82.29886 
1 1 1   42    6    0 o  224.894   76.074   1.7855   0.7872   1.7855   0.7872   0.0000   0.0000  224.894   76.074  224.894   76.074 0.000000 0.000000 
1 1 1   42    6    2 o  174.805   43.568   0.8639   0.4959   0.3823   0.9075   1.0689   0.5921  158.792   66.408  190.817   56.416 -32.02463 87.13622 
1 1 1   42    6    4 o  191.697   44.306   1.1207   0.5413   0.3605   0.9634   1.4714   0.6544  160.771   67.894  222.622   56.943 -61.85042 88.61143 
1 1 1   42    6    6 o  258.233   44.728   2.0783   0.5964   1.6128   0.8995   2.4437   0.7968  227.525   70.032  288.941   55.659 -61.41579 89.45583 
1 1 1   42    6    8 o  170.776   41.549   0.7718   0.4400   1.0932   0.6930   0.5548   0.5695  191.966   61.800  149.586   55.553 42.37976 83.09897 
1 1 1   42    6   10 o  213.393   41.654   1.3699   0.4709   1.4165   0.6950   1.3304   0.6403  216.167   60.273  210.618   57.510 5.549500 83.30795 
1 1 1   42    6   12 f  264.930   45.998   2.2893   0.6298   1.6517   1.0895   2.6093   0.7718  225.823   77.624  304.036   49.374 -78.21346 91.99594 
1 1 1   42    6   14 o  240.016   70.737   1.8596   0.9321   1.8596   0.9321   0.0000   0.0000  240.016   70.737  ?   ?       ?      ? 
1 1 1   42    6   16 o  236.740   49.917   1.7634   0.6584   2.3724   1.0148   1.3207   0.8652  268.954   71.971  204.526   69.188 64.42801 99.83417 
1 1 1   42    7    1 o  221.515   49.391   1.5446   0.6141   1.2283   1.1574   1.6685   0.7246  207.122   78.707  235.908   59.692 -28.78673 98.78197 
1 1 1   42    7    3 o  162.140   38.618   0.7225   0.3942   0.4522   0.5841   0.9486   0.5343  143.642   55.574  180.638   53.637 -36.99579 77.23639 
1 1 1   42    7    5 o  159.865   39.552   0.7020   0.4318   0.0000   0.8065   0.9841   0.5112  135.896   59.746  183.835   51.845 -47.93948 79.10419 
1 1 1   42    7    7 o  172.443   40.367   0.8216   0.4177   1.0724   0.6361   0.6315   0.5537  190.332   58.946  154.555   55.166 35.77773 80.73351 
1 1 1   42    7    9 o  263.466   43.853   2.0950   0.5830   2.3539   0.8675   1.8817   0.7873  278.456   62.167  248.477   61.868 29.97913 87.70644 
1 1 1   42    7   11 o  285.900   39.711   2.3718   0.5700   3.0775   0.8488   1.7920   0.7693  329.898   50.043  241.902   61.673 87.99515 79.42216 
1 1 1   42    7   13 o  252.141   51.357   2.0461   0.6954   2.2517   1.0731   1.8973   0.9131  260.883   75.618  243.398   69.514 17.48433 102.7145 
1 1 1   42    7   15 o  232.432   48.530   1.6402   0.6360   2.4594   0.9907   1.0660   0.8294  276.239   69.747  188.624   67.497 87.61510 97.05904 
1 1 1   42    8    0 o  143.113   67.715   0.8278   0.5647   0.8278   0.5647   0.0000   0.0000  143.113   67.715  143.113   67.715 0.000000 0.000000 
1 1 1   42    8    2 o  309.167   53.979   2.8473   0.7817   3.6661   1.5054   2.5450   0.9146  328.163   87.592  290.170   63.106 37.99265 107.9575 
1 1 1   42    8    4 o  258.735   43.907   2.0015   0.5745   2.3168   0.8699   1.7576   0.7652  276.637   62.619  240.833   61.564 35.80426 87.81432 
1 1 1   42    8    6 o  146.682   37.957   0.4955   0.3725   0.7740   0.5891   0.3100   0.4809  166.472   57.089  126.893   50.037 39.57878 75.91354 
1 1 1   42    8    8 o  217.116   57.205   1.3345   0.8206   0.9882   1.0094   2.0096   1.4094  190.406   73.228  243.827   87.905 -53.42065 114.4094 
1 1 1   42    8   10 o  172.988   41.141   0.8125   0.4304   1.1409   0.6815   0.5946   0.5552  194.686   61.132  151.290   55.074 43.39703 82.28172 
1 1 1   42    8   12 o  163.917   37.068   0.7944   0.4042   0.0000   0.7176   1.1637   0.4892  128.086   56.334  199.748   48.194 -71.66225 74.13671 
1 1 1   42    8   14 f  192.281   41.087   0.8968   0.5020   2.0144   0.7898   0.1394   0.6502  255.763   60.935  128.799   55.131 126.9640 82.17384 
1 1 1   42    8   16 o  165.592   41.095   0.7213   0.4373   1.1245   0.6844   0.4432   0.5684  191.223   61.401  139.961   54.635 51.26178 82.18958 
1 1 1   42    9    1 o  149.883   37.421   0.5784   0.3616   0.7397   0.5321   0.4399   0.4930  162.550   54.262  137.216   51.545 25.33435 74.84126 
1 1 1   42    9    3 o  190.005   42.423   1.0736   0.4647   0.9568   0.7095   1.1613   0.6150  182.329   62.641  197.682   57.227 -15.35214 84.84609 
1 1 1   42    9    5 o  173.855   40.012   0.8773   0.4144   0.7057   0.6376   1.0028   0.5453  162.852   59.062  184.858   53.995 -22.00548 80.02374 
1 1 1   42    9    7 o  222.762   43.998   1.5281   0.5198   1.4177   0.8270   1.6002   0.6682  214.070   67.361  231.455   56.620 -17.38525 87.99604 
1 1 1   42    9    9 o  234.107   56.156   1.8177   0.8116   1.9958   1.0470   1.5494   1.2847  247.127   75.470  221.088   83.176 26.03903 112.3118 
1 1 1   42    9   11 o  203.363   41.914   1.2588   0.4624   1.2118   0.7179   1.2921   0.6046  199.215   62.769  207.510   55.563 -8.294937 83.82854 
1 1 1   42    9   13 o  204.532   44.583   1.3461   0.5230   0.9102   0.9372   1.5433   0.6302  182.248   70.430  226.816   54.682 -44.56728 89.16586 
1 1 1   42    9   15 o  190.730   46.404   1.0441   0.5364   1.4624   0.8924   0.8075   0.6711  212.943   70.233  168.517   60.670 44.42596 92.80901 
1 1 1   42   10    0 o  267.377   72.217   2.3307   0.8580   2.3307   0.8580   0.0000   0.0000  267.377   72.217  267.377   72.217 0.000000 0.000000 
1 1 1   42   10    2 o  174.570   39.463   0.8429   0.4053   1.1705   0.6163   0.5933   0.5380  198.239   57.259  150.900   54.321 47.33929 78.92696 
1 1 1   42   10    4 o  167.038   36.654   0.7642   0.4025   0.0923   0.6094   1.2841   0.5361  124.273   53.288  209.802   50.343 -85.52884 73.30762 
1 1 1   42   10    6 o  135.252   34.918   0.3291   0.3164   0.8019   0.5432   0.0862   0.3893  167.436   54.775  103.069   43.322 64.36677 69.83633 
1 1 1   42   10    8 o  137.062   36.454   0.4161   0.3303   0.5757   0.5841   0.3410   0.4005  151.111   56.233  123.012   46.406 28.09887 72.90842 
1 1 1   42   10   10 o  160.413   40.446   0.7131   0.4506   0.0000   0.8498   0.9919   0.5314  137.687   60.896  183.140   53.248 -45.45303 80.89286 
1 1 1   42   10   12 o  141.285   37.361   0.4991   0.3445   0.3189   0.6860   0.5599   0.3984  140.424   58.146  142.146   46.931 -1.721634 74.72297 
1 1 1   42   10   14 o  229.909   42.042   1.3714   0.5885   3.0906   0.9342   0.2404   0.7577  319.276   59.091  140.542   59.820 178.7344 84.08399 
1 1 1   42   11    1 o  156.593   37.085   0.6803   0.3535   0.5828   0.5026   0.7758   0.4974  148.507   52.604  164.680   52.287 -16.17305 74.16953 
1 1 1   42   11    3 o  277.451   43.660   2.3352   0.6040   2.3387   0.9059   2.3325   0.8104  275.377   65.024  279.525   58.280 -4.147949 87.31916 
1 1 1   42   11    5 o  167.983   40.163   0.8039   0.4082   0.7295   0.6627   0.8494   0.5183  164.850   60.147  171.115   53.241 -6.264908 80.32550 
1 1 1   42   11    7 o  233.925   55.399   1.5104   0.7047   1.1329   0.8133   2.6474   1.4115  194.252   67.048  273.598   88.210 -79.34581 110.7989 
1 1 1   42   11    9 o  222.222   42.834   1.4468   0.4922   1.8669   0.8077   1.1986   0.6208  245.142   63.557  199.302   57.442 45.83989 85.66848 
1 1 1   42   11   11 o  171.885   44.466   0.7755   0.4791   1.0208   0.8770   0.6711   0.5720  186.989   69.041  156.780   56.055 30.20923 88.93142 
1 1 1   42   11   13 o  217.787   47.165   1.3479   0.5817   2.2712   0.9710   0.8308   0.7266  264.061   70.281  171.514   62.918 92.54738 94.32944 
1 1 1   42   12    0 o  202.320  104.218   1.9060   1.3866   1.9060   1.3866   0.0000   0.0000  202.320  104.218  202.320  104.218 0.000000 0.000000 
1 1 1   42   12    2 o  242.584   51.596   1.4809   0.6105   1.0627   0.6904   2.9801   1.3072  188.878   61.753  296.290   82.674 -107.4127 103.1911 
1 1 1   42   12    4 f  150.382   37.101   0.6159   0.3534   0.4783   0.5689   0.7023   0.4509  143.614   55.034  157.150   49.771 -13.53577 74.20217 
1 1 1   42   12    6 o  165.791   39.178   0.6823   0.3885   1.1825   0.6571   0.4136   0.4817  197.705   59.659  133.878   50.798 63.82727 78.35640 
1 1 1   42   12    8 o  179.635   39.828   0.8855   0.4356   1.4391   0.6493   0.4325   0.5874  218.043   57.209  141.228   55.427 76.81453 79.65562 
1 1 1   42   12   10 o  269.197   68.371   2.3156   0.9481   2.3156   0.9481   0.0000   0.0000  269.197   68.371  ?   ?       ?      ? 
1 1 1   42   12   12 o  272.482   59.382   2.7925   0.9905   3.4488   1.2466   1.6686   1.6314  321.337   76.551  223.626   90.802 97.71065 118.7645 
1 1 1   42   13    1 o  179.808   43.388   0.9682   0.4509   0.4799   1.0485   1.0790   0.4994  167.836   70.850  191.781   50.101 -23.94499 86.77525 
1 1 1   42   13    3 f  220.442   42.871   1.4860   0.5001   1.5112   0.7366   1.4645   0.6811  221.455   62.154  219.429   59.065 2.025757 85.74251 
1 1 1   42   13    5 o  134.611   35.334   0.4222   0.3166   0.5444   0.5224   0.3513   0.3979  145.729   53.366  123.492   46.325 22.23687 70.66759 
1 1 1   42   13    7 o  201.723   64.145   1.2558   0.7484   1.2558   0.7484   0.0000   0.0000  201.723   64.145  ?   ?       ?      ? 
1 1 1   42   13    9 o  206.020   54.604   1.0581   0.7897   0.3860   0.9874   2.2510   1.3154  159.906   68.179  252.134   85.312 -92.22812 109.2088 
1 1 1   42   13   11 o  211.889   52.392   1.2014   0.6497   0.8024   0.7617   2.2665   1.2446  170.533   64.068  253.246   82.915 -82.71329 104.7842 
1 1 1   42   14    0 o  116.434   60.163   0.5519   0.4629   0.0000   0.0000   0.5519   0.4629  116.434   60.163  116.434   60.163 -0.000000 0.000000 
1 1 1   42   14    2 o  217.704   65.148   1.4822   0.7860   1.4822   0.7860   0.0000   0.0000  217.704   65.148  ?   ?       ?      ? 
1 1 1   42   14    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   42   14    6 o  229.860   59.211   1.7938   0.9047   1.8763   1.1636   1.6677   1.4384  235.378   80.235  224.343   87.098 11.03484 118.4222 
1 1 1   42   14    8 o  188.185   51.714   0.9931   0.7163   0.8680   0.9751   1.1396   1.0555  180.583   71.239  195.787   74.981 -15.20352 103.4276 
1 1 1   42   14   10 o  172.727   50.169   0.5915   0.7016   0.2482   0.8904   1.1537   1.1395  148.537   64.063  196.917   77.224 -48.37985 100.3377 
1 1 1   42   15    1 f  255.263   61.198   2.2967   0.9946   3.0154   1.4026   1.5699   1.4106  290.384   87.057  220.142   86.034 70.24150 122.3955 
1 1 1   42   15    3 o  244.213   91.858   2.1545   1.5667   0.0000   0.0000   2.1545   1.5667  ?   ?   244.213   91.858      ?      ? 
1 1 1   42   15    5 o  146.389   65.342   0.0000   1.0013   0.0000   0.0000   0.0000   1.0013  ?   ?   146.389   65.342      ?      ? 
1 1 1   42   15    7 o  168.314   46.285   0.6720   0.3878   0.6798   0.4031   0.5744   1.4180  153.650   46.810  182.978   79.862 -29.32721 92.56934 
1 1 1   42   16    0 o  154.669   89.431   1.0431   1.1535   1.0431   1.1535   0.0000   0.0000  154.669   89.431  154.669   89.431 0.000000 0.000000 
1 1 1   42   16    2 o  264.096   58.168   2.3913   1.0460   4.0478   1.4402   0.5418   1.5218  342.596   82.706  185.595   81.816 157.0013 116.3358 
1 1 1   42   16    4 o  179.205   51.975   0.7677   0.7701   0.9646   1.0727   0.5583   1.1063  187.235   74.446  171.174   72.547 16.06129 103.9490 
1 1 1   43    0    1 o  143.148   57.423   0.8259   0.6561   1.0465   0.9684   0.6388   0.8920  155.548   84.984  130.747   77.250 0.000000 0.000000 
1 1 1   43    0    3 o  110.993   48.613   0.2837   0.5634   0.5732   0.8009   0.0000   0.7928  124.611   73.398   97.375   63.762 -0.000000 0.000000 
1 1 1   43    0    5 o  178.507   63.753   1.4189   0.7367   1.1859   1.2390   1.5464   0.9162  164.153   93.632  192.861   86.548 0.000000 0.000000 
1 1 1   43    0    7 o  167.135   61.860   1.2102   0.6766   1.2569   1.1899   1.1879   0.8226  167.365   93.194  166.905   81.373 0.000000 0.000000 
1 1 1   43    0    9 o  179.481   61.711   1.2019   0.6858   0.6743   0.8529   2.1668   1.1535  131.144   76.432  227.817   96.907 -0.000000 0.000000 
1 1 1   43    0   11 o  191.904   83.980   1.5169   0.8634   1.5169   0.8634   0.0000   0.0000  191.904   83.980  191.904   83.980 -0.000000 0.000000 
1 1 1   43    0   13 o  159.061   77.369   1.0800   0.7429   1.0800   0.7429   0.0000   0.0000  159.061   77.369  159.061   77.369 -0.000000 0.000000 
1 1 1   43    1    0 o  127.440   66.480   0.6677   0.5694   0.6677   0.5694   0.0000   0.0000  127.440   66.480  127.440   66.480 0.000000 0.000000 
1 1 1   43    1    2 o  213.587   44.074   1.3942   0.5141   1.3326   0.7204   1.4583   0.7340  208.977   62.334  218.198   62.326 -9.221512 88.14792 
1 1 1   43    1    4 o  227.574   45.505   1.6081   0.5604   1.3918   0.8020   1.8146   0.7835  212.039   66.271  243.109   62.377 -31.06938 91.00928 
1 1 1   43    1    6 o  215.857   42.398   1.4009   0.5220   0.7654   0.7313   2.0609   0.7453  169.092   62.922  262.623   56.845 -93.53059 84.79700 
1 1 1   43    1    8 o  345.270   49.003   3.6871   0.8292   3.3833   1.0764   4.1305   1.3003  330.895   65.589  359.645   72.824 -28.74915 98.00604 
1 1 1   43    1   10 o  388.253   40.476   4.4232   0.8073   4.6133   1.1429   4.2340   1.1404  397.694   55.899  378.813   58.555 18.88156 80.95293 
1 1 1   43    1   12 o  216.267   45.524   1.4267   0.5395   1.8063   0.8476   1.1682   0.6994  237.706   66.658  194.829   62.018 42.87743 91.04749 
1 1 1   43    2    1 o  149.807   42.499   0.4607   0.4672   0.4936   0.5509   0.3765   0.8818  143.882   54.392  155.731   65.316 -11.84938 84.99783 
1 1 1   43    2    3 o  190.215   43.434   1.0686   0.4839   1.2386   0.7168   0.9263   0.6559  201.863   62.583  178.567   60.244 23.29573 86.86790 
1 1 1   43    2    5 o  231.761   48.855   1.7392   0.6369   1.9831   0.8193   1.3668   1.0123  253.724   63.078  209.798   74.621 43.92572 97.70935 
1 1 1   43    2    7 o  183.110   43.047   0.9626   0.4775   0.7248   0.6406   1.2598   0.7163  163.344   59.206  202.876   62.505 -39.53226 86.09427 
1 1 1   43    2    9 o  416.269   41.461   5.1149   0.8838   4.7075   1.2591   5.5107   1.2409  397.066   61.677  435.472   55.425 -38.40576 82.92163 
1 1 1   43    2   11 o  260.036   39.875   2.0440   0.5674   3.3778   0.8225   0.8325   0.7839  346.560   46.162  173.513   65.031 173.0471 79.74950 
1 1 1   43    2   13 o  204.327   46.245   1.2958   0.5582   1.6439   0.8130   0.9854   0.7676  226.741   65.848  181.913   64.950 44.82770 92.49042 
1 1 1   43    3    0 o  142.566   78.473   0.8541   0.8327   0.0000   0.0000   0.8541   0.8327  142.566   78.473  142.566   78.473 -0.000000 0.000000 
1 1 1   43    3    2 o  234.814   51.374   1.7964   0.6900   1.9902   0.8872   1.4999   1.0976  251.819   67.259  217.810   77.675 34.00912 102.7482 
1 1 1   43    3    4 o  166.850   41.874   0.7271   0.4854   1.1454   0.6561   0.2217   0.7213  195.071   59.776  138.628   58.656 56.44316 83.74802 
1 1 1   43    3    6 o  215.283   44.350   1.3960   0.5324   1.8660   0.7883   1.0019   0.7219  246.201   62.244  184.366   63.194 61.83519 88.70052 
1 1 1   43    3    8 o  246.367   44.284   1.9024   0.5673   1.5910   0.8379   2.1660   0.7708  224.340   67.293  268.393   57.585 -44.05357 88.56880 
1 1 1   43    3   10 o  241.523   52.794   1.7215   0.6269   2.4114   1.3603   1.5354   0.7064  259.786   86.760  223.259   60.179 36.52623 105.5884 
1 1 1   43    3   12 o  145.824   52.433   0.5667   0.5011   0.0000   0.0000   0.5667   0.5011  ?   ?   145.824   52.433      ?      ? 
1 1 1   43    4    1 o  208.656   51.171   1.3175   0.6778   1.6938   0.9947   0.9913   0.9262  229.440   74.059  187.871   70.634 41.56850 102.3423 
1 1 1   43    4    3 o  267.636   49.139   1.8581   0.6665   3.7548   1.2453   1.0969   0.7889  343.503   72.778  191.769   66.047 151.7340 98.27882 
1 1 1   43    4    5 o  246.602   52.034   1.8437   0.6596   2.3834   1.2345   1.6280   0.7804  264.177   82.164  229.026   63.868 35.15106 104.0678 
1 1 1   43    4    7 o  169.133   45.658   0.7220   0.4927   0.7353   1.0429   0.7182   0.5590  177.895   72.460  160.370   55.573 17.52428 91.31680 
1 1 1   43    4    9 o  277.305   53.145   2.8196   0.8095   1.5437   1.6929   3.1979   0.9217  222.096   91.601  332.514   53.916 -110.4185 106.2907 
1 1 1   43    4   11 o  236.885   50.340   1.8717   0.6268   1.5747   1.3157   1.9589   0.7129  218.742   83.727  255.028   55.912 -36.28680 100.6793 
1 1 1   43    5    0 o  232.666  108.193   2.4359   1.4365   2.4359   1.4365   0.0000   0.0000  232.666  108.193  232.666  108.193 0.000000 0.000000 
1 1 1   43    5    2 o  202.248   49.565   0.9490   0.5899   0.5166   0.6901   2.1230   1.1370  152.333   59.981  252.164   78.925 -99.83148 99.13051 
1 1 1   43    5    4 o  180.213   47.780   0.8644   0.5366   0.8555   0.6096   0.8951   1.1310  172.229   58.078  188.196   75.887 -15.96716 95.56039 
1 1 1   43    5    6 o  201.807   51.835   1.1732   0.6342   1.0921   0.7348   1.4099   1.2555  190.493   63.766  213.122   81.739 -22.62932 103.6693 
1 1 1   43    5    8 o  173.833   49.226   0.5083   0.5183   0.3225   0.5667   1.4586   1.2817  132.907   53.673  214.760   82.534 -81.85217 98.45117 
1 1 1   43    5   10 o  277.940   44.005   1.6003   0.6595   0.4476   0.7649   4.9365   1.3013  151.335   61.896  404.546   62.568 -253.2105 88.01060 
1 1 1   43    5   12 o  244.261   43.780   2.0061   0.5951   1.0827   0.9930   2.5236   0.7434  191.033   72.830  297.489   48.608 -106.4554 87.56073 
1 1 1   43    6    1 o  262.220   51.089   1.9415   0.6790   3.2314   1.2381   1.3868   0.8119  313.295   77.336  211.145   66.779 102.1497 102.1773 
1 1 1   43    6    3 o  224.547   49.337   1.5974   0.6055   1.5253   1.1134   1.6277   0.7216  218.306   78.192  230.788   60.188 -12.48181 98.67400 
1 1 1   43    6    5 o  198.164   39.663   1.1511   0.4526   1.7272   0.6507   0.6113   0.6299  241.237   53.831  155.091   58.264 86.14549 79.32552 
1 1 1   43    6    7 o  199.348   41.283   1.2330   0.4850   0.6475   0.7396   1.6748   0.6424  161.570   62.531  237.126   53.916 -75.55597 82.56602 
1 1 1   43    6    9 o  185.109   41.171   1.0314   0.4579   0.6432   0.6764   1.3597   0.6221  158.413   60.178  211.805   56.203 -53.39201 82.34159 
1 1 1   43    6   11 o  282.664   43.416   2.4591   0.6119   2.6435   0.8992   2.2999   0.8352  292.527   61.729  272.802   61.068 19.72592 86.83170 
1 1 1   43    7    0 o  222.202   77.739   1.7917   0.8041   0.0000   0.0000   1.7917   0.8041  222.202   77.739  222.202   77.739 -0.000000 0.000000 
1 1 1   43    7    2 o  188.172   39.002   1.0006   0.4352   1.6049   0.6356   0.4675   0.5970  232.189   54.227  144.154   56.071 88.03476 78.00339 
1 1 1   43    7    4 o  191.050   47.107   1.0623   0.5354   1.1508   0.9948   1.0262   0.6352  196.818   73.361  185.281   59.114 11.53694 94.21397 
1 1 1   43    7    6 o  233.470   46.346   1.7099   0.5709   1.7440   0.9130   1.6880   0.7315  232.579   70.356  234.361   60.347 -1.782242 92.69141 
1 1 1   43    7    8 o  208.380   42.808   1.2898   0.4857   1.7046   0.7573   0.9999   0.6331  234.138   61.949  182.623   59.097 51.51433 85.61581 
1 1 1   43    7   10 o  197.945   42.142   1.2036   0.4625   1.2065   0.6934   1.2012   0.6209  197.560   61.600  198.330   57.527 -0.7700195 84.28477 
1 1 1   43    8    1 o  234.536   44.162   1.7024   0.5414   1.7305   0.7888   1.6773   0.7445  235.722   63.614  233.350   61.272 2.372314 88.32316 
1 1 1   43    8    3 o  203.116   42.189   1.2519   0.4694   1.3835   0.6886   1.1376   0.6416  212.372   60.268  193.860   59.055 18.51231 84.37817 
1 1 1   43    8    5 o  230.682   44.954   1.6673   0.5490   1.6066   0.8299   1.7145   0.7321  225.118   66.849  236.247   60.123 -11.12886 89.90829 
1 1 1   43    8    7 o  186.027   43.698   1.0716   0.4887   0.7070   0.9040   1.2222   0.5809  170.572   68.176  201.483   54.682 -30.91133 87.39561 
1 1 1   43    8    9 o  182.435   40.926   0.8172   0.4334   1.6434   0.7572   0.4145   0.5286  228.931   62.552  135.938   52.792 92.99231 81.85187 
1 1 1   43    9    0 o  313.154   68.396   3.0470   0.9645   0.0000   0.0000   3.0470   0.9645  313.154   68.396  313.154   68.396 -0.000000 0.000000 
1 1 1   43    9    2 o  213.058   43.045   1.4107   0.4958   1.2699   0.7628   1.5138   0.6525  202.466   64.800  223.651   56.679 -21.18503 86.09032 
1 1 1   43    9    4 o  181.053   42.453   0.9546   0.4548   1.1288   0.7145   0.8359   0.5897  192.400   62.817  169.706   57.123 22.69437 84.90607 
1 1 1   43    9    6 o  131.562   34.464   0.4067   0.3091   0.5478   0.4701   0.2992   0.4104  143.296   50.861  119.829   46.522 23.46642 68.92858 
1 1 1   43    9    8 o  157.475   41.570   0.6261   0.4019   0.7005   0.8439   0.6043   0.4570  167.497   66.210  147.453   50.285 20.04395 83.14046 
1 1 1   43   10    1 f  168.929   39.008   0.7990   0.4104   0.4349   0.5752   1.1765   0.5857  140.314   54.912  197.544   55.419 -57.22928 78.01643 
1 1 1   43   10    3 o  222.131   43.537   1.5218   0.5149   1.7279   0.7583   1.3456   0.7014  235.760   61.807  208.502   61.333 27.25804 87.07403 
1 1 1   43   10    5 o  205.994   43.034   1.3118   0.4842   1.3025   0.7478   1.3186   0.6355  204.223   64.019  207.764   57.525 -3.540909 86.06760 
1 1 1   43   10    7 o  183.029   38.202   0.8145   0.4154   1.7490   0.6868   0.2755   0.5216  239.819   56.611  126.239   51.311 113.5801 76.40414 
1 1 1   43   11    0 o  136.446   65.002   0.7613   0.5213   0.0000   0.0000   0.7613   0.5213  136.446   65.002  136.446   65.002 -0.000000 0.000000 
1 1 1   43   11    2 o  140.719   36.158   0.5082   0.3416   0.3885   0.4896   0.6217   0.4767  131.832   50.917  149.605   51.352 -17.77310 72.31554 
1 1 1   43   11    4 o  188.189   40.600   1.0895   0.4363   0.8503   0.6733   1.2626   0.5728  171.596   60.876  204.781   53.735 -33.18579 81.19955 
1 1 1   43   12    1 o  144.633   43.692   0.2216   0.5756   0.0000   0.7718   0.4992   0.8639  131.112   58.009  158.154   65.352 -27.04245 87.38342 
1 1 1   44    0    0 o  110.587   67.077   0.3417   0.7074   0.3417   0.7074   0.0000   0.0000  110.587   67.077  110.587   67.077 0.000000 0.000000 
1 1 1   44    0    2 o  141.615   52.260   0.6462   0.5700   0.0000   0.7585   1.4843   0.8639   94.751   62.158  188.480   84.028 -0.000000 0.000000 
1 1 1   44    0    4 o  141.396   56.399   0.7717   0.6012   0.5508   0.7428   1.1914   1.0237  120.530   70.831  162.261   87.786 -0.000000 0.000000 
1 1 1   44    1    1 o  221.505   48.246   1.2854   0.6020   0.6836   0.7252   2.6193   1.0797  162.206   62.145  280.804   73.817 -118.5984 96.49297 
1 1 1   44    1    3 o  203.933   43.839   1.2964   0.5021   1.1819   0.7117   1.4098   0.7083  195.335   62.603  212.531   61.387 -17.19606 87.67838 
1 1 1   44    2    0 o  138.981   69.594   0.8123   0.6083   0.0000   0.0000   0.8123   0.6083  138.981   69.594  138.981   69.594 -0.000000 0.000000 
1 1 1   44    2    2 o  370.334   56.456   4.8621   1.0231   5.4266   1.2724   3.8296   1.7209  427.653   57.873  313.015   96.954 114.6377 112.9126 
1 1 1   44    3    1 o  211.132   52.477   1.4552   0.7130   1.2282   1.0795   1.6309   0.9496  199.667   75.979  222.597   72.406 -22.93028 104.9543 
#END OF REFLECTIONS
